Project ID: plumID:22.012
Source: Ayala_et_al_2022_PLUMED/plumed_DNAJB1_H244A.dat
Originally used with PLUMED version: 2.6
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###
V238:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4298-4313 L239:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4314-4332 K240:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4333-4354 D241:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4355-4366 K242:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4367-4388 P243:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4389-4402 H244:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4403-4412 N245:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4413-4426 I246:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4427-4445 F247:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4446-4465 K248:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4466-4487 R249:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4488-4511the group of atoms that you are calculating the Gyration Tensor for
###ATOMS of DNAJB1 CHAIN B, predicted to be involved in binding###
D167:CENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3143-3154 L168:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3155-3173 R169:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3174-3197 V170:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3198-3213 S171:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3214-3224 L172:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3225-3243 E173:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3244-3258 E174:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3259-3273 I175:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3274-3292 E214:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3937-3951 G215:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3952-3958 T216:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=3959-3972 P274:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4864-4877 L276:the group of atoms that you are calculating the Gyration Tensor forCENTERCalculate the center for a group of atoms, with arbitrary weights. More detailsATOMS=4892-4910the group of atoms that you are calculating the Gyration Tensor forCONTACTMAP...Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. More detailsATOMS1=V238,D167the atoms involved in each of the contacts you wish to calculateREFERENCE1=0.96A reference value for a given contact, by default is 0ATOMS2=L239,D167the atoms involved in each of the contacts you wish to calculateREFERENCE2=0.71A reference value for a given contact, by default is 0ATOMS3=K240,D167the atoms involved in each of the contacts you wish to calculateREFERENCE3=0.98A reference value for a given contact, by default is 0ATOMS4=D241,D167the atoms involved in each of the contacts you wish to calculateREFERENCE4=0.53A reference value for a given contact, by default is 0ATOMS5=K242,D167the atoms involved in each of the contacts you wish to calculateREFERENCE5=0.42A reference value for a given contact, by default is 0ATOMS6=P243,D167the atoms involved in each of the contacts you wish to calculateREFERENCE6=0.15A reference value for a given contact, by default is 0ATOMS7=H244,D167the atoms involved in each of the contacts you wish to calculateREFERENCE7=0.03A reference value for a given contact, by default is 0ATOMS8=N245,D167the atoms involved in each of the contacts you wish to calculateREFERENCE8=0.02A reference value for a given contact, by default is 0ATOMS9=I246,D167the atoms involved in each of the contacts you wish to calculateREFERENCE9=0.01A reference value for a given contact, by default is 0ATOMS10=F247,D167the atoms involved in each of the contacts you wish to calculateREFERENCE10=0.01A reference value for a given contact, by default is 0ATOMS11=K248,D167the atoms involved in each of the contacts you wish to calculateREFERENCE11=0.01A reference value for a given contact, by default is 0ATOMS12=R249,D167the atoms involved in each of the contacts you wish to calculateREFERENCE12=0.06A reference value for a given contact, by default is 0ATOMS13=V238,L168the atoms involved in each of the contacts you wish to calculateREFERENCE13=0.91A reference value for a given contact, by default is 0ATOMS14=L239,L168the atoms involved in each of the contacts you wish to calculateREFERENCE14=0.98A reference value for a given contact, by default is 0ATOMS15=K240,L168the atoms involved in each of the contacts you wish to calculateREFERENCE15=0.87A reference value for a given contact, by default is 0ATOMS16=D241,L168the atoms involved in each of the contacts you wish to calculateREFERENCE16=0.57A reference value for a given contact, by default is 0ATOMS17=K242,L168the atoms involved in each of the contacts you wish to calculateREFERENCE17=0.54A reference value for a given contact, by default is 0ATOMS18=P243,L168the atoms involved in each of the contacts you wish to calculateREFERENCE18=0.15A reference value for a given contact, by default is 0ATOMS19=H244,L168the atoms involved in each of the contacts you wish to calculateREFERENCE19=0.05A reference value for a given contact, by default is 0ATOMS20=N245,L168the atoms involved in each of the contacts you wish to calculateREFERENCE20=0.02A reference value for a given contact, by default is 0ATOMS21=I246,L168the atoms involved in each of the contacts you wish to calculateREFERENCE21=0.01A reference value for a given contact, by default is 0ATOMS22=F247,L168the atoms involved in each of the contacts you wish to calculateREFERENCE22=0.01A reference value for a given contact, by default is 0ATOMS23=K248,L168the atoms involved in each of the contacts you wish to calculateREFERENCE23=0.01A reference value for a given contact, by default is 0ATOMS24=R249,L168the atoms involved in each of the contacts you wish to calculateREFERENCE24=0.1A reference value for a given contact, by default is 0ATOMS25=V238,R169the atoms involved in each of the contacts you wish to calculateREFERENCE25=0.69A reference value for a given contact, by default is 0ATOMS26=L239,R169the atoms involved in each of the contacts you wish to calculateREFERENCE26=0.79A reference value for a given contact, by default is 0ATOMS27=K240,R169the atoms involved in each of the contacts you wish to calculateREFERENCE27=0.99A reference value for a given contact, by default is 0ATOMS28=D241,R169the atoms involved in each of the contacts you wish to calculateREFERENCE28=0.98A reference value for a given contact, by default is 0ATOMS29=K242,R169the atoms involved in each of the contacts you wish to calculateREFERENCE29=0.96A reference value for a given contact, by default is 0ATOMS30=P243,R169the atoms involved in each of the contacts you wish to calculateREFERENCE30=0.77A reference value for a given contact, by default is 0ATOMS31=H244,R169the atoms involved in each of the contacts you wish to calculateREFERENCE31=0.16A reference value for a given contact, by default is 0ATOMS32=N245,R169the atoms involved in each of the contacts you wish to calculateREFERENCE32=0.09A reference value for a given contact, by default is 0ATOMS33=I246,R169the atoms involved in each of the contacts you wish to calculateREFERENCE33=0.02A reference value for a given contact, by default is 0ATOMS34=F247,R169the atoms involved in each of the contacts you wish to calculateREFERENCE34=0.04A reference value for a given contact, by default is 0ATOMS35=K248,R169the atoms involved in each of the contacts you wish to calculateREFERENCE35=0.06A reference value for a given contact, by default is 0ATOMS36=R249,R169the atoms involved in each of the contacts you wish to calculateREFERENCE36=0.29A reference value for a given contact, by default is 0ATOMS37=V238,V170the atoms involved in each of the contacts you wish to calculateREFERENCE37=0.35A reference value for a given contact, by default is 0ATOMS38=L239,V170the atoms involved in each of the contacts you wish to calculateREFERENCE38=0.95A reference value for a given contact, by default is 0ATOMS39=K240,V170the atoms involved in each of the contacts you wish to calculateREFERENCE39=0.63A reference value for a given contact, by default is 0ATOMS40=D241,V170the atoms involved in each of the contacts you wish to calculateREFERENCE40=0.9A reference value for a given contact, by default is 0ATOMS41=K242,V170the atoms involved in each of the contacts you wish to calculateREFERENCE41=0.92A reference value for a given contact, by default is 0ATOMS42=P243,V170the atoms involved in each of the contacts you wish to calculateREFERENCE42=0.53A reference value for a given contact, by default is 0ATOMS43=H244,V170the atoms involved in each of the contacts you wish to calculateREFERENCE43=0.4A reference value for a given contact, by default is 0ATOMS44=N245,V170the atoms involved in each of the contacts you wish to calculateREFERENCE44=0.12A reference value for a given contact, by default is 0ATOMS45=I246,V170the atoms involved in each of the contacts you wish to calculateREFERENCE45=0.05A reference value for a given contact, by default is 0ATOMS46=F247,V170the atoms involved in each of the contacts you wish to calculateREFERENCE46=0.1A reference value for a given contact, by default is 0ATOMS47=K248,V170the atoms involved in each of the contacts you wish to calculateREFERENCE47=0.06A reference value for a given contact, by default is 0ATOMS48=R249,V170the atoms involved in each of the contacts you wish to calculateREFERENCE48=0.53A reference value for a given contact, by default is 0ATOMS49=V238,S171the atoms involved in each of the contacts you wish to calculateREFERENCE49=0.07A reference value for a given contact, by default is 0ATOMS50=L239,S171the atoms involved in each of the contacts you wish to calculateREFERENCE50=0.42A reference value for a given contact, by default is 0ATOMS51=K240,S171the atoms involved in each of the contacts you wish to calculateREFERENCE51=0.23A reference value for a given contact, by default is 0ATOMS52=D241,S171the atoms involved in each of the contacts you wish to calculateREFERENCE52=0.84A reference value for a given contact, by default is 0ATOMS53=K242,S171the atoms involved in each of the contacts you wish to calculateREFERENCE53=0.98A reference value for a given contact, by default is 0ATOMS54=P243,S171the atoms involved in each of the contacts you wish to calculateREFERENCE54=0.87A reference value for a given contact, by default is 0ATOMS55=H244,S171the atoms involved in each of the contacts you wish to calculateREFERENCE55=0.96A reference value for a given contact, by default is 0ATOMS56=N245,S171the atoms involved in each of the contacts you wish to calculateREFERENCE56=0.6A reference value for a given contact, by default is 0ATOMS57=I246,S171the atoms involved in each of the contacts you wish to calculateREFERENCE57=0.29A reference value for a given contact, by default is 0ATOMS58=F247,S171the atoms involved in each of the contacts you wish to calculateREFERENCE58=0.5A reference value for a given contact, by default is 0ATOMS59=K248,S171the atoms involved in each of the contacts you wish to calculateREFERENCE59=0.21A reference value for a given contact, by default is 0ATOMS60=R249,S171the atoms involved in each of the contacts you wish to calculateREFERENCE60=0.73A reference value for a given contact, by default is 0ATOMS61=V238,L172the atoms involved in each of the contacts you wish to calculateREFERENCE61=0.03A reference value for a given contact, by default is 0ATOMS62=L239,L172the atoms involved in each of the contacts you wish to calculateREFERENCE62=0.2A reference value for a given contact, by default is 0ATOMS63=K240,L172the atoms involved in each of the contacts you wish to calculateREFERENCE63=0.11A reference value for a given contact, by default is 0ATOMS64=D241,L172the atoms involved in each of the contacts you wish to calculateREFERENCE64=0.74A reference value for a given contact, by default is 0ATOMS65=K242,L172the atoms involved in each of the contacts you wish to calculateREFERENCE65=0.63A reference value for a given contact, by default is 0ATOMS66=P243,L172the atoms involved in each of the contacts you wish to calculateREFERENCE66=0.78A reference value for a given contact, by default is 0ATOMS67=H244,L172the atoms involved in each of the contacts you wish to calculateREFERENCE67=0.99A reference value for a given contact, by default is 0ATOMS68=N245,L172the atoms involved in each of the contacts you wish to calculateREFERENCE68=0.56A reference value for a given contact, by default is 0ATOMS69=I246,L172the atoms involved in each of the contacts you wish to calculateREFERENCE69=0.55A reference value for a given contact, by default is 0ATOMS70=F247,L172the atoms involved in each of the contacts you wish to calculateREFERENCE70=0.95A reference value for a given contact, by default is 0ATOMS71=K248,L172the atoms involved in each of the contacts you wish to calculateREFERENCE71=0.66A reference value for a given contact, by default is 0ATOMS72=R249,L172the atoms involved in each of the contacts you wish to calculateREFERENCE72=0.98A reference value for a given contact, by default is 0ATOMS73=V238,E173the atoms involved in each of the contacts you wish to calculateREFERENCE73=0.02A reference value for a given contact, by default is 0ATOMS74=L239,E173the atoms involved in each of the contacts you wish to calculateREFERENCE74=0.1A reference value for a given contact, by default is 0ATOMS75=K240,E173the atoms involved in each of the contacts you wish to calculateREFERENCE75=0.04A reference value for a given contact, by default is 0ATOMS76=D241,E173the atoms involved in each of the contacts you wish to calculateREFERENCE76=0.23A reference value for a given contact, by default is 0ATOMS77=K242,E173the atoms involved in each of the contacts you wish to calculateREFERENCE77=0.45A reference value for a given contact, by default is 0ATOMS78=P243,E173the atoms involved in each of the contacts you wish to calculateREFERENCE78=0.34A reference value for a given contact, by default is 0ATOMS79=H244,E173the atoms involved in each of the contacts you wish to calculateREFERENCE79=0.95A reference value for a given contact, by default is 0ATOMS80=N245,E173the atoms involved in each of the contacts you wish to calculateREFERENCE80=0.51A reference value for a given contact, by default is 0ATOMS81=I246,E173the atoms involved in each of the contacts you wish to calculateREFERENCE81=0.51A reference value for a given contact, by default is 0ATOMS82=F247,E173the atoms involved in each of the contacts you wish to calculateREFERENCE82=0.8A reference value for a given contact, by default is 0ATOMS83=K248,E173the atoms involved in each of the contacts you wish to calculateREFERENCE83=0.14A reference value for a given contact, by default is 0ATOMS84=R249,E173the atoms involved in each of the contacts you wish to calculateREFERENCE84=0.45A reference value for a given contact, by default is 0ATOMS85=V238,E174the atoms involved in each of the contacts you wish to calculateREFERENCE85=0.04A reference value for a given contact, by default is 0ATOMS86=L239,E174the atoms involved in each of the contacts you wish to calculateREFERENCE86=0.32A reference value for a given contact, by default is 0ATOMS87=K240,E174the atoms involved in each of the contacts you wish to calculateREFERENCE87=0.08A reference value for a given contact, by default is 0ATOMS88=D241,E174the atoms involved in each of the contacts you wish to calculateREFERENCE88=0.33A reference value for a given contact, by default is 0ATOMS89=K242,E174the atoms involved in each of the contacts you wish to calculateREFERENCE89=0.62A reference value for a given contact, by default is 0ATOMS90=P243,E174the atoms involved in each of the contacts you wish to calculateREFERENCE90=0.27A reference value for a given contact, by default is 0ATOMS91=H244,E174the atoms involved in each of the contacts you wish to calculateREFERENCE91=0.63A reference value for a given contact, by default is 0ATOMS92=N245,E174the atoms involved in each of the contacts you wish to calculateREFERENCE92=0.21A reference value for a given contact, by default is 0ATOMS93=I246,E174the atoms involved in each of the contacts you wish to calculateREFERENCE93=0.12A reference value for a given contact, by default is 0ATOMS94=F247,E174the atoms involved in each of the contacts you wish to calculateREFERENCE94=0.24A reference value for a given contact, by default is 0ATOMS95=K248,E174the atoms involved in each of the contacts you wish to calculateREFERENCE95=0.05A reference value for a given contact, by default is 0ATOMS96=R249,E174the atoms involved in each of the contacts you wish to calculateREFERENCE96=0.31A reference value for a given contact, by default is 0ATOMS97=V238,I175the atoms involved in each of the contacts you wish to calculateREFERENCE97=0.12A reference value for a given contact, by default is 0ATOMS98=L239,I175the atoms involved in each of the contacts you wish to calculateREFERENCE98=0.81A reference value for a given contact, by default is 0ATOMS99=K240,I175the atoms involved in each of the contacts you wish to calculateREFERENCE99=0.23A reference value for a given contact, by default is 0ATOMS100=D241,I175the atoms involved in each of the contacts you wish to calculateREFERENCE100=0.69A reference value for a given contact, by default is 0ATOMS101=K242,I175the atoms involved in each of the contacts you wish to calculateREFERENCE101=0.42A reference value for a given contact, by default is 0ATOMS102=P243,I175the atoms involved in each of the contacts you wish to calculateREFERENCE102=0.26A reference value for a given contact, by default is 0ATOMS103=H244,I175the atoms involved in each of the contacts you wish to calculateREFERENCE103=0.41A reference value for a given contact, by default is 0ATOMS104=N245,I175the atoms involved in each of the contacts you wish to calculateREFERENCE104=0.08A reference value for a given contact, by default is 0ATOMS105=I246,I175the atoms involved in each of the contacts you wish to calculateREFERENCE105=0.06A reference value for a given contact, by default is 0ATOMS106=F247,I175the atoms involved in each of the contacts you wish to calculateREFERENCE106=0.21A reference value for a given contact, by default is 0ATOMS107=K248,I175the atoms involved in each of the contacts you wish to calculateREFERENCE107=0.09A reference value for a given contact, by default is 0ATOMS108=R249,I175the atoms involved in each of the contacts you wish to calculateREFERENCE108=0.84A reference value for a given contact, by default is 0ATOMS109=V238,E214the atoms involved in each of the contacts you wish to calculateREFERENCE109=0.71A reference value for a given contact, by default is 0ATOMS110=L239,E214the atoms involved in each of the contacts you wish to calculateREFERENCE110=0.95A reference value for a given contact, by default is 0ATOMS111=K240,E214the atoms involved in each of the contacts you wish to calculateREFERENCE111=0.95A reference value for a given contact, by default is 0ATOMS112=D241,E214the atoms involved in each of the contacts you wish to calculateREFERENCE112=0.96A reference value for a given contact, by default is 0ATOMS113=K242,E214the atoms involved in each of the contacts you wish to calculateREFERENCE113=0.24A reference value for a given contact, by default is 0ATOMS114=P243,E214the atoms involved in each of the contacts you wish to calculateREFERENCE114=0.25A reference value for a given contact, by default is 0ATOMS115=H244,E214the atoms involved in each of the contacts you wish to calculateREFERENCE115=0.07A reference value for a given contact, by default is 0ATOMS116=N245,E214the atoms involved in each of the contacts you wish to calculateREFERENCE116=0.02A reference value for a given contact, by default is 0ATOMS117=I246,E214the atoms involved in each of the contacts you wish to calculateREFERENCE117=0.01A reference value for a given contact, by default is 0ATOMS118=F247,E214the atoms involved in each of the contacts you wish to calculateREFERENCE118=0.04A reference value for a given contact, by default is 0ATOMS119=K248,E214the atoms involved in each of the contacts you wish to calculateREFERENCE119=0.08A reference value for a given contact, by default is 0ATOMS120=R249,E214the atoms involved in each of the contacts you wish to calculateREFERENCE120=0.78A reference value for a given contact, by default is 0ATOMS121=V238,G215the atoms involved in each of the contacts you wish to calculateREFERENCE121=0.96A reference value for a given contact, by default is 0ATOMS122=L239,G215the atoms involved in each of the contacts you wish to calculateREFERENCE122=0.97A reference value for a given contact, by default is 0ATOMS123=K240,G215the atoms involved in each of the contacts you wish to calculateREFERENCE123=0.93A reference value for a given contact, by default is 0ATOMS124=D241,G215the atoms involved in each of the contacts you wish to calculateREFERENCE124=0.58A reference value for a given contact, by default is 0ATOMS125=K242,G215the atoms involved in each of the contacts you wish to calculateREFERENCE125=0.09A reference value for a given contact, by default is 0ATOMS126=P243,G215the atoms involved in each of the contacts you wish to calculateREFERENCE126=0.06A reference value for a given contact, by default is 0ATOMS127=H244,G215the atoms involved in each of the contacts you wish to calculateREFERENCE127=0.02A reference value for a given contact, by default is 0ATOMS128=N245,G215the atoms involved in each of the contacts you wish to calculateREFERENCE128=0.01A reference value for a given contact, by default is 0ATOMS129=I246,G215the atoms involved in each of the contacts you wish to calculateREFERENCE129=0A reference value for a given contact, by default is 0ATOMS130=F247,G215the atoms involved in each of the contacts you wish to calculateREFERENCE130=0.01A reference value for a given contact, by default is 0ATOMS131=K248,G215the atoms involved in each of the contacts you wish to calculateREFERENCE131=0.02A reference value for a given contact, by default is 0ATOMS132=R249,G215the atoms involved in each of the contacts you wish to calculateREFERENCE132=0.22A reference value for a given contact, by default is 0ATOMS133=V238,T216the atoms involved in each of the contacts you wish to calculateREFERENCE133=0.9A reference value for a given contact, by default is 0ATOMS134=L239,T216the atoms involved in each of the contacts you wish to calculateREFERENCE134=0.99A reference value for a given contact, by default is 0ATOMS135=K240,T216the atoms involved in each of the contacts you wish to calculateREFERENCE135=0.63A reference value for a given contact, by default is 0ATOMS136=D241,T216the atoms involved in each of the contacts you wish to calculateREFERENCE136=0.31A reference value for a given contact, by default is 0ATOMS137=K242,T216the atoms involved in each of the contacts you wish to calculateREFERENCE137=0.06A reference value for a given contact, by default is 0ATOMS138=P243,T216the atoms involved in each of the contacts you wish to calculateREFERENCE138=0.04A reference value for a given contact, by default is 0ATOMS139=H244,T216the atoms involved in each of the contacts you wish to calculateREFERENCE139=0.02A reference value for a given contact, by default is 0ATOMS140=N245,T216the atoms involved in each of the contacts you wish to calculateREFERENCE140=0.01A reference value for a given contact, by default is 0ATOMS141=I246,T216the atoms involved in each of the contacts you wish to calculateREFERENCE141=0A reference value for a given contact, by default is 0ATOMS142=F247,T216the atoms involved in each of the contacts you wish to calculateREFERENCE142=0.01A reference value for a given contact, by default is 0ATOMS143=K248,T216the atoms involved in each of the contacts you wish to calculateREFERENCE143=0.01A reference value for a given contact, by default is 0ATOMS144=R249,T216the atoms involved in each of the contacts you wish to calculateREFERENCE144=0.15A reference value for a given contact, by default is 0ATOMS145=V238,P274the atoms involved in each of the contacts you wish to calculateREFERENCE145=0A reference value for a given contact, by default is 0ATOMS146=L239,P274the atoms involved in each of the contacts you wish to calculateREFERENCE146=0A reference value for a given contact, by default is 0ATOMS147=K240,P274the atoms involved in each of the contacts you wish to calculateREFERENCE147=0A reference value for a given contact, by default is 0ATOMS148=D241,P274the atoms involved in each of the contacts you wish to calculateREFERENCE148=0.01A reference value for a given contact, by default is 0ATOMS149=K242,P274the atoms involved in each of the contacts you wish to calculateREFERENCE149=0.02A reference value for a given contact, by default is 0ATOMS150=P243,P274the atoms involved in each of the contacts you wish to calculateREFERENCE150=0.04A reference value for a given contact, by default is 0ATOMS151=H244,P274the atoms involved in each of the contacts you wish to calculateREFERENCE151=0.43A reference value for a given contact, by default is 0ATOMS152=N245,P274the atoms involved in each of the contacts you wish to calculateREFERENCE152=0.28A reference value for a given contact, by default is 0ATOMS153=I246,P274the atoms involved in each of the contacts you wish to calculateREFERENCE153=0.88A reference value for a given contact, by default is 0ATOMS154=F247,P274the atoms involved in each of the contacts you wish to calculateREFERENCE154=0.89A reference value for a given contact, by default is 0ATOMS155=K248,P274the atoms involved in each of the contacts you wish to calculateREFERENCE155=0.12A reference value for a given contact, by default is 0ATOMS156=R249,P274the atoms involved in each of the contacts you wish to calculateREFERENCE156=0.05A reference value for a given contact, by default is 0ATOMS157=V238,L276the atoms involved in each of the contacts you wish to calculateREFERENCE157=0.01A reference value for a given contact, by default is 0ATOMS158=L239,L276the atoms involved in each of the contacts you wish to calculateREFERENCE158=0.03A reference value for a given contact, by default is 0ATOMS159=K240,L276the atoms involved in each of the contacts you wish to calculateREFERENCE159=0.01A reference value for a given contact, by default is 0ATOMS160=D241,L276the atoms involved in each of the contacts you wish to calculateREFERENCE160=0.08A reference value for a given contact, by default is 0ATOMS161=K242,L276the atoms involved in each of the contacts you wish to calculateREFERENCE161=0.09A reference value for a given contact, by default is 0ATOMS162=P243,L276the atoms involved in each of the contacts you wish to calculateREFERENCE162=0.11A reference value for a given contact, by default is 0ATOMS163=H244,L276the atoms involved in each of the contacts you wish to calculateREFERENCE163=0.74A reference value for a given contact, by default is 0ATOMS164=N245,L276the atoms involved in each of the contacts you wish to calculateREFERENCE164=0.22A reference value for a given contact, by default is 0ATOMS165=I246,L276the atoms involved in each of the contacts you wish to calculateREFERENCE165=0.51A reference value for a given contact, by default is 0ATOMS166=F247,L276the atoms involved in each of the contacts you wish to calculateREFERENCE166=0.93A reference value for a given contact, by default is 0ATOMS167=K248,L276the atoms involved in each of the contacts you wish to calculateREFERENCE167=0.16A reference value for a given contact, by default is 0ATOMS168=R249,L276the atoms involved in each of the contacts you wish to calculateREFERENCE168=0.36A reference value for a given contact, by default is 0ATOMS169=V238,V238the atoms involved in each of the contacts you wish to calculateREFERENCE169=1A reference value for a given contact, by default is 0ATOMS170=L239,V238the atoms involved in each of the contacts you wish to calculateREFERENCE170=0.95A reference value for a given contact, by default is 0ATOMS171=K240,V238the atoms involved in each of the contacts you wish to calculateREFERENCE171=0.98A reference value for a given contact, by default is 0ATOMS172=D241,V238the atoms involved in each of the contacts you wish to calculateREFERENCE172=0.38A reference value for a given contact, by default is 0ATOMS173=K242,V238the atoms involved in each of the contacts you wish to calculateREFERENCE173=0.12A reference value for a given contact, by default is 0ATOMS174=P243,V238the atoms involved in each of the contacts you wish to calculateREFERENCE174=0.05A reference value for a given contact, by default is 0ATOMS175=H244,V238the atoms involved in each of the contacts you wish to calculateREFERENCE175=0.01A reference value for a given contact, by default is 0ATOMS176=N245,V238the atoms involved in each of the contacts you wish to calculateREFERENCE176=0.01A reference value for a given contact, by default is 0ATOMS177=I246,V238the atoms involved in each of the contacts you wish to calculateREFERENCE177=0A reference value for a given contact, by default is 0ATOMS178=F247,V238the atoms involved in each of the contacts you wish to calculateREFERENCE178=0.01A reference value for a given contact, by default is 0ATOMS179=K248,V238the atoms involved in each of the contacts you wish to calculateREFERENCE179=0.01A reference value for a given contact, by default is 0ATOMS180=R249,V238the atoms involved in each of the contacts you wish to calculateREFERENCE180=0.06A reference value for a given contact, by default is 0ATOMS181=V238,L239the atoms involved in each of the contacts you wish to calculateREFERENCE181=0.95A reference value for a given contact, by default is 0ATOMS182=L239,L239the atoms involved in each of the contacts you wish to calculateREFERENCE182=1A reference value for a given contact, by default is 0ATOMS183=K240,L239the atoms involved in each of the contacts you wish to calculateREFERENCE183=0.93A reference value for a given contact, by default is 0ATOMS184=D241,L239the atoms involved in each of the contacts you wish to calculateREFERENCE184=0.81A reference value for a given contact, by default is 0ATOMS185=K242,L239the atoms involved in each of the contacts you wish to calculateREFERENCE185=0.34A reference value for a given contact, by default is 0ATOMS186=P243,L239the atoms involved in each of the contacts you wish to calculateREFERENCE186=0.15A reference value for a given contact, by default is 0ATOMS187=H244,L239the atoms involved in each of the contacts you wish to calculateREFERENCE187=0.06A reference value for a given contact, by default is 0ATOMS188=N245,L239the atoms involved in each of the contacts you wish to calculateREFERENCE188=0.02A reference value for a given contact, by default is 0ATOMS189=I246,L239the atoms involved in each of the contacts you wish to calculateREFERENCE189=0.01A reference value for a given contact, by default is 0ATOMS190=F247,L239the atoms involved in each of the contacts you wish to calculateREFERENCE190=0.02A reference value for a given contact, by default is 0ATOMS191=K248,L239the atoms involved in each of the contacts you wish to calculateREFERENCE191=0.02A reference value for a given contact, by default is 0ATOMS192=R249,L239the atoms involved in each of the contacts you wish to calculateREFERENCE192=0.34A reference value for a given contact, by default is 0ATOMS193=V238,K240the atoms involved in each of the contacts you wish to calculateREFERENCE193=0.98A reference value for a given contact, by default is 0ATOMS194=L239,K240the atoms involved in each of the contacts you wish to calculateREFERENCE194=0.93A reference value for a given contact, by default is 0ATOMS195=K240,K240the atoms involved in each of the contacts you wish to calculateREFERENCE195=1A reference value for a given contact, by default is 0ATOMS196=D241,K240the atoms involved in each of the contacts you wish to calculateREFERENCE196=0.94A reference value for a given contact, by default is 0ATOMS197=K242,K240the atoms involved in each of the contacts you wish to calculateREFERENCE197=0.49A reference value for a given contact, by default is 0ATOMS198=P243,K240the atoms involved in each of the contacts you wish to calculateREFERENCE198=0.32A reference value for a given contact, by default is 0ATOMS199=H244,K240the atoms involved in each of the contacts you wish to calculateREFERENCE199=0.05A reference value for a given contact, by default is 0ATOMS200=N245,K240the atoms involved in each of the contacts you wish to calculateREFERENCE200=0.02A reference value for a given contact, by default is 0ATOMS201=I246,K240the atoms involved in each of the contacts you wish to calculateREFERENCE201=0.01A reference value for a given contact, by default is 0ATOMS202=F247,K240the atoms involved in each of the contacts you wish to calculateREFERENCE202=0.02A reference value for a given contact, by default is 0ATOMS203=K248,K240the atoms involved in each of the contacts you wish to calculateREFERENCE203=0.04A reference value for a given contact, by default is 0ATOMS204=R249,K240the atoms involved in each of the contacts you wish to calculateREFERENCE204=0.25A reference value for a given contact, by default is 0ATOMS205=V238,D241the atoms involved in each of the contacts you wish to calculateREFERENCE205=0.38A reference value for a given contact, by default is 0ATOMS206=L239,D241the atoms involved in each of the contacts you wish to calculateREFERENCE206=0.81A reference value for a given contact, by default is 0ATOMS207=K240,D241the atoms involved in each of the contacts you wish to calculateREFERENCE207=0.94A reference value for a given contact, by default is 0ATOMS208=D241,D241the atoms involved in each of the contacts you wish to calculateREFERENCE208=1A reference value for a given contact, by default is 0ATOMS209=K242,D241the atoms involved in each of the contacts you wish to calculateREFERENCE209=0.93A reference value for a given contact, by default is 0ATOMS210=P243,D241the atoms involved in each of the contacts you wish to calculateREFERENCE210=0.95A reference value for a given contact, by default is 0ATOMS211=H244,D241the atoms involved in each of the contacts you wish to calculateREFERENCE211=0.44A reference value for a given contact, by default is 0ATOMS212=N245,D241the atoms involved in each of the contacts you wish to calculateREFERENCE212=0.16A reference value for a given contact, by default is 0ATOMS213=I246,D241the atoms involved in each of the contacts you wish to calculateREFERENCE213=0.06A reference value for a given contact, by default is 0ATOMS214=F247,D241the atoms involved in each of the contacts you wish to calculateREFERENCE214=0.14A reference value for a given contact, by default is 0ATOMS215=K248,D241the atoms involved in each of the contacts you wish to calculateREFERENCE215=0.31A reference value for a given contact, by default is 0ATOMS216=R249,D241the atoms involved in each of the contacts you wish to calculateREFERENCE216=0.94A reference value for a given contact, by default is 0ATOMS217=V238,K242the atoms involved in each of the contacts you wish to calculateREFERENCE217=0.12A reference value for a given contact, by default is 0ATOMS218=L239,K242the atoms involved in each of the contacts you wish to calculateREFERENCE218=0.34A reference value for a given contact, by default is 0ATOMS219=K240,K242the atoms involved in each of the contacts you wish to calculateREFERENCE219=0.49A reference value for a given contact, by default is 0ATOMS220=D241,K242the atoms involved in each of the contacts you wish to calculateREFERENCE220=0.93A reference value for a given contact, by default is 0ATOMS221=K242,K242the atoms involved in each of the contacts you wish to calculateREFERENCE221=1A reference value for a given contact, by default is 0ATOMS222=P243,K242the atoms involved in each of the contacts you wish to calculateREFERENCE222=0.99A reference value for a given contact, by default is 0ATOMS223=H244,K242the atoms involved in each of the contacts you wish to calculateREFERENCE223=0.77A reference value for a given contact, by default is 0ATOMS224=N245,K242the atoms involved in each of the contacts you wish to calculateREFERENCE224=0.62A reference value for a given contact, by default is 0ATOMS225=I246,K242the atoms involved in each of the contacts you wish to calculateREFERENCE225=0.15A reference value for a given contact, by default is 0ATOMS226=F247,K242the atoms involved in each of the contacts you wish to calculateREFERENCE226=0.17A reference value for a given contact, by default is 0ATOMS227=K248,K242the atoms involved in each of the contacts you wish to calculateREFERENCE227=0.18A reference value for a given contact, by default is 0ATOMS228=R249,K242the atoms involved in each of the contacts you wish to calculateREFERENCE228=0.41A reference value for a given contact, by default is 0ATOMS229=V238,P243the atoms involved in each of the contacts you wish to calculateREFERENCE229=0.05A reference value for a given contact, by default is 0ATOMS230=L239,P243the atoms involved in each of the contacts you wish to calculateREFERENCE230=0.15A reference value for a given contact, by default is 0ATOMS231=K240,P243the atoms involved in each of the contacts you wish to calculateREFERENCE231=0.32A reference value for a given contact, by default is 0ATOMS232=D241,P243the atoms involved in each of the contacts you wish to calculateREFERENCE232=0.95A reference value for a given contact, by default is 0ATOMS233=K242,P243the atoms involved in each of the contacts you wish to calculateREFERENCE233=0.99A reference value for a given contact, by default is 0ATOMS234=P243,P243the atoms involved in each of the contacts you wish to calculateREFERENCE234=1A reference value for a given contact, by default is 0ATOMS235=H244,P243the atoms involved in each of the contacts you wish to calculateREFERENCE235=0.92A reference value for a given contact, by default is 0ATOMS236=N245,P243the atoms involved in each of the contacts you wish to calculateREFERENCE236=0.84A reference value for a given contact, by default is 0ATOMS237=I246,P243the atoms involved in each of the contacts you wish to calculateREFERENCE237=0.36A reference value for a given contact, by default is 0ATOMS238=F247,P243the atoms involved in each of the contacts you wish to calculateREFERENCE238=0.41A reference value for a given contact, by default is 0ATOMS239=K248,P243the atoms involved in each of the contacts you wish to calculateREFERENCE239=0.72A reference value for a given contact, by default is 0ATOMS240=R249,P243the atoms involved in each of the contacts you wish to calculateREFERENCE240=0.71A reference value for a given contact, by default is 0ATOMS241=V238,H244the atoms involved in each of the contacts you wish to calculateREFERENCE241=0.01A reference value for a given contact, by default is 0ATOMS242=L239,H244the atoms involved in each of the contacts you wish to calculateREFERENCE242=0.06A reference value for a given contact, by default is 0ATOMS243=K240,H244the atoms involved in each of the contacts you wish to calculateREFERENCE243=0.05A reference value for a given contact, by default is 0ATOMS244=D241,H244the atoms involved in each of the contacts you wish to calculateREFERENCE244=0.44A reference value for a given contact, by default is 0ATOMS245=K242,H244the atoms involved in each of the contacts you wish to calculateREFERENCE245=0.77A reference value for a given contact, by default is 0ATOMS246=P243,H244the atoms involved in each of the contacts you wish to calculateREFERENCE246=0.92A reference value for a given contact, by default is 0ATOMS247=H244,H244the atoms involved in each of the contacts you wish to calculateREFERENCE247=1A reference value for a given contact, by default is 0ATOMS248=N245,H244the atoms involved in each of the contacts you wish to calculateREFERENCE248=0.99A reference value for a given contact, by default is 0ATOMS249=I246,H244the atoms involved in each of the contacts you wish to calculateREFERENCE249=0.96A reference value for a given contact, by default is 0ATOMS250=F247,H244the atoms involved in each of the contacts you wish to calculateREFERENCE250=0.98A reference value for a given contact, by default is 0ATOMS251=K248,H244the atoms involved in each of the contacts you wish to calculateREFERENCE251=0.73A reference value for a given contact, by default is 0ATOMS252=R249,H244the atoms involved in each of the contacts you wish to calculateREFERENCE252=0.65A reference value for a given contact, by default is 0ATOMS253=V238,N245the atoms involved in each of the contacts you wish to calculateREFERENCE253=0.01A reference value for a given contact, by default is 0ATOMS254=L239,N245the atoms involved in each of the contacts you wish to calculateREFERENCE254=0.02A reference value for a given contact, by default is 0ATOMS255=K240,N245the atoms involved in each of the contacts you wish to calculateREFERENCE255=0.02A reference value for a given contact, by default is 0ATOMS256=D241,N245the atoms involved in each of the contacts you wish to calculateREFERENCE256=0.16A reference value for a given contact, by default is 0ATOMS257=K242,N245the atoms involved in each of the contacts you wish to calculateREFERENCE257=0.62A reference value for a given contact, by default is 0ATOMS258=P243,N245the atoms involved in each of the contacts you wish to calculateREFERENCE258=0.84A reference value for a given contact, by default is 0ATOMS259=H244,N245the atoms involved in each of the contacts you wish to calculateREFERENCE259=0.99A reference value for a given contact, by default is 0ATOMS260=N245,N245the atoms involved in each of the contacts you wish to calculateREFERENCE260=1A reference value for a given contact, by default is 0ATOMS261=I246,N245the atoms involved in each of the contacts you wish to calculateREFERENCE261=0.98A reference value for a given contact, by default is 0ATOMS262=F247,N245the atoms involved in each of the contacts you wish to calculateREFERENCE262=0.79A reference value for a given contact, by default is 0ATOMS263=K248,N245the atoms involved in each of the contacts you wish to calculateREFERENCE263=0.5A reference value for a given contact, by default is 0ATOMS264=R249,N245the atoms involved in each of the contacts you wish to calculateREFERENCE264=0.17A reference value for a given contact, by default is 0ATOMS265=V238,I246the atoms involved in each of the contacts you wish to calculateREFERENCE265=0A reference value for a given contact, by default is 0ATOMS266=L239,I246the atoms involved in each of the contacts you wish to calculateREFERENCE266=0.01A reference value for a given contact, by default is 0ATOMS267=K240,I246the atoms involved in each of the contacts you wish to calculateREFERENCE267=0.01A reference value for a given contact, by default is 0ATOMS268=D241,I246the atoms involved in each of the contacts you wish to calculateREFERENCE268=0.06A reference value for a given contact, by default is 0ATOMS269=K242,I246the atoms involved in each of the contacts you wish to calculateREFERENCE269=0.15A reference value for a given contact, by default is 0ATOMS270=P243,I246the atoms involved in each of the contacts you wish to calculateREFERENCE270=0.36A reference value for a given contact, by default is 0ATOMS271=H244,I246the atoms involved in each of the contacts you wish to calculateREFERENCE271=0.96A reference value for a given contact, by default is 0ATOMS272=N245,I246the atoms involved in each of the contacts you wish to calculateREFERENCE272=0.98A reference value for a given contact, by default is 0ATOMS273=I246,I246the atoms involved in each of the contacts you wish to calculateREFERENCE273=1A reference value for a given contact, by default is 0ATOMS274=F247,I246the atoms involved in each of the contacts you wish to calculateREFERENCE274=0.99A reference value for a given contact, by default is 0ATOMS275=K248,I246the atoms involved in each of the contacts you wish to calculateREFERENCE275=0.61A reference value for a given contact, by default is 0ATOMS276=R249,I246the atoms involved in each of the contacts you wish to calculateREFERENCE276=0.15A reference value for a given contact, by default is 0ATOMS277=V238,F247the atoms involved in each of the contacts you wish to calculateREFERENCE277=0.01A reference value for a given contact, by default is 0ATOMS278=L239,F247the atoms involved in each of the contacts you wish to calculateREFERENCE278=0.02A reference value for a given contact, by default is 0ATOMS279=K240,F247the atoms involved in each of the contacts you wish to calculateREFERENCE279=0.02A reference value for a given contact, by default is 0ATOMS280=D241,F247the atoms involved in each of the contacts you wish to calculateREFERENCE280=0.14A reference value for a given contact, by default is 0ATOMS281=K242,F247the atoms involved in each of the contacts you wish to calculateREFERENCE281=0.17A reference value for a given contact, by default is 0ATOMS282=P243,F247the atoms involved in each of the contacts you wish to calculateREFERENCE282=0.41A reference value for a given contact, by default is 0ATOMS283=H244,F247the atoms involved in each of the contacts you wish to calculateREFERENCE283=0.98A reference value for a given contact, by default is 0ATOMS284=N245,F247the atoms involved in each of the contacts you wish to calculateREFERENCE284=0.79A reference value for a given contact, by default is 0ATOMS285=I246,F247the atoms involved in each of the contacts you wish to calculateREFERENCE285=0.99A reference value for a given contact, by default is 0ATOMS286=F247,F247the atoms involved in each of the contacts you wish to calculateREFERENCE286=1A reference value for a given contact, by default is 0ATOMS287=K248,F247the atoms involved in each of the contacts you wish to calculateREFERENCE287=0.84A reference value for a given contact, by default is 0ATOMS288=R249,F247the atoms involved in each of the contacts you wish to calculateREFERENCE288=0.56A reference value for a given contact, by default is 0ATOMS289=V238,K248the atoms involved in each of the contacts you wish to calculateREFERENCE289=0.01A reference value for a given contact, by default is 0ATOMS290=L239,K248the atoms involved in each of the contacts you wish to calculateREFERENCE290=0.02A reference value for a given contact, by default is 0ATOMS291=K240,K248the atoms involved in each of the contacts you wish to calculateREFERENCE291=0.04A reference value for a given contact, by default is 0ATOMS292=D241,K248the atoms involved in each of the contacts you wish to calculateREFERENCE292=0.31A reference value for a given contact, by default is 0ATOMS293=K242,K248the atoms involved in each of the contacts you wish to calculateREFERENCE293=0.18A reference value for a given contact, by default is 0ATOMS294=P243,K248the atoms involved in each of the contacts you wish to calculateREFERENCE294=0.72A reference value for a given contact, by default is 0ATOMS295=H244,K248the atoms involved in each of the contacts you wish to calculateREFERENCE295=0.73A reference value for a given contact, by default is 0ATOMS296=N245,K248the atoms involved in each of the contacts you wish to calculateREFERENCE296=0.5A reference value for a given contact, by default is 0ATOMS297=I246,K248the atoms involved in each of the contacts you wish to calculateREFERENCE297=0.61A reference value for a given contact, by default is 0ATOMS298=F247,K248the atoms involved in each of the contacts you wish to calculateREFERENCE298=0.84A reference value for a given contact, by default is 0ATOMS299=K248,K248the atoms involved in each of the contacts you wish to calculateREFERENCE299=1A reference value for a given contact, by default is 0ATOMS300=R249,K248the atoms involved in each of the contacts you wish to calculateREFERENCE300=0.75A reference value for a given contact, by default is 0ATOMS301=V238,R249the atoms involved in each of the contacts you wish to calculateREFERENCE301=0.06A reference value for a given contact, by default is 0ATOMS302=L239,R249the atoms involved in each of the contacts you wish to calculateREFERENCE302=0.34A reference value for a given contact, by default is 0ATOMS303=K240,R249the atoms involved in each of the contacts you wish to calculateREFERENCE303=0.25A reference value for a given contact, by default is 0ATOMS304=D241,R249the atoms involved in each of the contacts you wish to calculateREFERENCE304=0.94A reference value for a given contact, by default is 0ATOMS305=K242,R249the atoms involved in each of the contacts you wish to calculateREFERENCE305=0.41A reference value for a given contact, by default is 0ATOMS306=P243,R249the atoms involved in each of the contacts you wish to calculateREFERENCE306=0.71A reference value for a given contact, by default is 0ATOMS307=H244,R249the atoms involved in each of the contacts you wish to calculateREFERENCE307=0.65A reference value for a given contact, by default is 0ATOMS308=N245,R249the atoms involved in each of the contacts you wish to calculateREFERENCE308=0.17A reference value for a given contact, by default is 0ATOMS309=I246,R249the atoms involved in each of the contacts you wish to calculateREFERENCE309=0.15A reference value for a given contact, by default is 0ATOMS310=F247,R249the atoms involved in each of the contacts you wish to calculateREFERENCE310=0.56A reference value for a given contact, by default is 0ATOMS311=K248,R249the atoms involved in each of the contacts you wish to calculateREFERENCE311=0.75A reference value for a given contact, by default is 0ATOMS312=R249,R249the atoms involved in each of the contacts you wish to calculateREFERENCE312=1A reference value for a given contact, by default is 0SWITCH={RATIONAL R_0=1}The switching functions to use for each of the contacts in your mapLABEL=contact ... CONTACTMAPa label for the action so that its output can be referenced in the input to other actionsPrint quantities to a file. More detailsARG=contactthe input for this action is the scalar output from one or more other actionsFILE=contact_mapthe name of the file on which to output these quantities