view promap/test-data/Unshared LJ Data.csv @ 0:ec1bb9a71b77 draft default tip

Uploaded

" "," "," "," "," "," "," "," "
"First Amino Acid","First AA Number","First Atom Name","Second Amino Acid","Second AA Number","Second Atom Name","Distance","LJ Value"
"Input Number 1"
"ASP",1,"CG","ASP",1,"N",0.752,-0.00582
"ASP",1,"CG","ASP",1,"O",0.492,-0.0589
"ASP",1,"CG","ASP",1,"OD1",0.982,-0.00101
"ASP",1,"CG","ASP",1,"OD2",1,-0.000891
"ASP",1,"CG","ALA",2,"N",0.548,-0.0374
"ASP",1,"CG","ALA",2,"O",0.694,-0.00803
"ASP",1,"CG","ALA",2,"CB",0.384,-0.157
"ASP",1,"CG","GLU",3,"N",0.678,-0.0108
"ASP",1,"CG","GLU",3,"O",0.789,-0.00371
"ASP",1,"CG","GLU",3,"OE1",0.9,-0.00169
"ASP",1,"CG","GLU",3,"OE2",0.935,-0.00135
"ASP",1,"CG","ARG",5,"NH1",1.03,-0.000891
"ASP",1,"OD1","ASP",1,"C",0.561,-0.028
"ASP",1,"OD1","ASP",1,"CG",0.933,-0.00137
"ASP",1,"OD1","ALA",2,"C",0.639,-0.0131
"ASP",1,"OD1","ALA",2,"CB",0.392,-0.201
"ASP",1,"OD1","ALA",2,"HN",0.647,-0.000341
"ASP",1,"OD1","ALA",2,"HB2",0.321,-0.0919
"ASP",1,"OD1","ALA",2,"HB3",0.377,-0.0526
"ASP",1,"OD1","GLU",3,"C",0.905,-0.00164
"ASP",1,"OD1","GLU",3,"CD",0.957,-0.00117
"ASP",1,"OD1","GLU",3,"HN",0.694,-0.000223
"ASP",1,"OD2","ASP",1,"C",0.485,-0.0635
"ASP",1,"OD2","ASP",1,"O",0.419,-0.149
"ASP",1,"OD2","ASP",1,"CG",0.828,-0.00279
"ASP",1,"OD2","ALA",2,"CA",0.428,-0.138
"ASP",1,"OD2","ALA",2,"C",0.561,-0.0279
"ASP",1,"OD2","ALA",2,"HN",0.552,-0.000882
"ASP",1,"OD2","ALA",2,"HA",0.408,-0.0281
"ASP",1,"OD2","ALA",2,"HB2",0.252,0.619
"ASP",1,"OD2","ALA",2,"HB3",0.371,-0.0565
"ASP",1,"OD2","GLU",3,"C",0.815,-0.00306
"ASP",1,"OD2","GLU",3,"CD",0.83,-0.00275
"ASP",1,"OD2","GLU",3,"HN",0.572,-0.000712
"ASP",1,"OD2","ARG",5,"CZ",0.997,-0.000917
"GLU",3,"CD","GLU",3,"O",1,-0.000881
"GLU",3,"CD","ARG",5,"NH1",0.9,-0.00199
"GLU",3,"CD","ARG",5,"NH2",0.968,-0.00128
"GLU",3,"OE1","ARG",5,"2HH1",0.881,-5.34e-05
"GLU",3,"OE2","ALA",2,"C",1.04,-0.00073
"GLU",3,"OE2","ARG",5,"CZ",0.87,-0.00208
"GLU",3,"OE2","ARG",5,"1HH1",0.821,-8.12e-05
"GLU",3,"OE2","ARG",5,"2HH1",0.681,-0.000249
"GLU",3,"OE2","ARG",5,"2HH2",0.756,-0.000133
"PHE",4,"C","ARG",5,"NH1",0.864,-0.00255
"PHE",4,"HE1","GLU",3,"O",0.422,-0.0274
"ARG",5,"C","GLU",3,"O",0.921,-0.00147
"ARG",5,"C","ARG",5,"NH1",0.709,-0.00825
"ARG",5,"C","ARG",5,"NH2",0.852,-0.00276
"ARG",5,"CG","ARG",5,"NH1",0.437,-0.138
"ARG",5,"NE","ALA",2,"O",0.771,-0.0052
"ARG",5,"NE","GLU",3,"N",0.572,-0.036
"ARG",5,"NE","GLU",3,"O",0.528,-0.0486
"ARG",5,"NE","GLU",3,"OE1",0.752,-0.00603
"ARG",5,"NE","GLU",3,"OE2",0.907,-0.00197
"ARG",5,"NE","ARG",5,"NH1",0.481,-0.0953
"ARG",5,"NE","ARG",5,"NH2",0.588,-0.0304
"ARG",5,"CZ","ASP",1,"O",0.749,-0.00507
"ARG",5,"CZ","ALA",2,"N",0.644,-0.0146
"ARG",5,"CZ","ALA",2,"O",0.702,-0.0075
"ARG",5,"CZ","ALA",2,"CB",0.523,-0.0441
"ARG",5,"CZ","GLU",3,"N",0.525,-0.0473
"ARG",5,"CZ","GLU",3,"O",0.519,-0.0439
"ARG",5,"CZ","GLU",3,"OE1",0.735,-0.0057
"ARG",5,"CZ","GLU",3,"OE2",0.869,-0.0021
"ARG",5,"CZ","ARG",5,"NH1",0.569,-0.03
"ARG",5,"CZ","ARG",5,"NH2",0.664,-0.0122
"ARG",5,"NH1","ASP",1,"C",0.78,-0.00467
"ARG",5,"NH1","ALA",2,"C",0.621,-0.018
"ARG",5,"NH1","GLU",3,"C",0.656,-0.0131
"ARG",5,"NH1","GLU",3,"CD",0.878,-0.0023
"ARG",5,"NH1","GLU",3,"HN",0.498,-0.00223
"ARG",5,"NH1","PHE",4,"C",0.972,-0.00125
"ARG",5,"NH1","ARG",5,"NE",0.876,-0.00287
"ARG",5,"NH1","ARG",5,"CZ",0.774,-0.00491
"ARG",5,"NH1","ARG",5,"1HH1",0.689,-0.000318
"ARG",5,"NH1","ARG",5,"2HH1",0.606,-0.000683
"ARG",5,"NH1","ARG",5,"2HH2",0.731,-0.000224
"ARG",5,"NH2","ASP",1,"C",0.624,-0.0176
"ARG",5,"NH2","ASP",1,"CG",0.879,-0.00229
"ARG",5,"NH2","ALA",2,"CA",0.435,-0.141
"ARG",5,"NH2","ALA",2,"C",0.51,-0.0554
"ARG",5,"NH2","ALA",2,"CB",0.445,-0.128
"ARG",5,"NH2","ALA",2,"HN",0.564,-0.00105
"ARG",5,"NH2","ALA",2,"HA",0.338,-0.0757
"ARG",5,"NH2","ALA",2,"HB2",0.38,-0.0575
"ARG",5,"NH2","GLU",3,"N",0.469,-0.108
"ARG",5,"NH2","GLU",3,"C",0.599,-0.0222
"ARG",5,"NH2","GLU",3,"CD",0.7,-0.00889
"ARG",5,"NH2","GLU",3,"HN",0.379,-0.0111
"ARG",5,"NH2","PHE",4,"C",0.93,-0.00164
"ARG",5,"NH2","ARG",5,"NE",0.747,-0.00741
"ARG",5,"NH2","ARG",5,"CZ",0.644,-0.0146
"ARG",5,"NH2","ARG",5,"1HH1",0.615,-0.00063
"ARG",5,"NH2","ARG",5,"2HH1",0.512,-0.00187
"ARG",5,"NH2","ARG",5,"1HH2",0.709,-0.000268
"ARG",5,"NH2","ARG",5,"2HH2",0.577,-0.000916
"ARG",5,"HE","ARG",5,"NH1",0.409,-0.00707
"ARG",5,"1HH1","GLU",3,"O",0.578,-0.000668
"ARG",5,"1HH1","ARG",5,"NH1",0.698,-0.000293
"ARG",5,"2HH1","ALA",2,"O",0.703,-0.000205
"ARG",5,"2HH1","ALA",2,"CB",0.467,-0.0032
"ARG",5,"2HH1","GLU",3,"N",0.575,-0.000935
"ARG",5,"2HH1","GLU",3,"O",0.577,-0.000676
"ARG",5,"2HH1","GLU",3,"OE1",0.845,-6.85e-05
"ARG",5,"2HH1","ARG",5,"NH1",0.752,-0.000188
"ARG",5,"1HH2","ASP",1,"O",0.637,-0.000371
"ARG",5,"1HH2","ALA",2,"N",0.528,-0.00156
"ARG",5,"1HH2","ALA",2,"O",0.634,-0.000382
"ARG",5,"1HH2","GLU",3,"N",0.462,-0.00345
"ARG",5,"1HH2","GLU",3,"O",0.536,-0.00105
"ARG",5,"1HH2","GLU",3,"OE1",0.571,-0.000716
"ARG",5,"1HH2","GLU",3,"OE2",0.723,-0.000175
"ARG",5,"1HH2","ARG",5,"NH1",0.519,-0.00173
"ARG",5,"1HH2","ARG",5,"NH2",0.551,-0.00122
"ARG",5,"2HH2","ASP",1,"O",0.555,-0.000848
"ARG",5,"2HH2","ALA",2,"N",0.48,-0.00275
"ARG",5,"2HH2","ALA",2,"O",0.599,-0.000541
"ARG",5,"2HH2","ALA",2,"CB",0.373,-0.0118
"ARG",5,"2HH2","GLU",3,"N",0.467,-0.00323
"ARG",5,"2HH2","GLU",3,"O",0.553,-0.000865
"ARG",5,"2HH2","GLU",3,"OE1",0.652,-0.000323
"ARG",5,"2HH2","GLU",3,"OE2",0.762,-0.000127
"ARG",5,"2HH2","ARG",5,"NH1",0.664,-0.000395
"ARG",5,"2HH2","ARG",5,"NH2",0.717,-0.000251
"HIS",6,"N","ARG",5,"CZ",0.782,-0.0046
"HIS",6,"N","ARG",5,"1HH1",0.667,-0.000387
"HIS",6,"N","ARG",5,"2HH1",0.629,-0.000551
"HIS",6,"C","ARG",5,"O",0.916,-0.00153
"HIS",6,"C","ARG",5,"NH1",0.66,-0.0127
"HIS",6,"C","ARG",5,"NH2",0.762,-0.00537
"HIS",6,"O","ARG",5,"C",0.958,-0.00117
"HIS",6,"O","ARG",5,"NE",0.692,-0.0099
"HIS",6,"O","ARG",5,"CZ",0.616,-0.0162
"HIS",6,"O","ARG",5,"1HH1",0.558,-0.000821
"HIS",6,"O","ARG",5,"2HH1",0.511,-0.00139
"HIS",6,"O","ARG",5,"2HH2",0.611,-0.000477
"HIS",6,"HN","ARG",5,"NH1",0.61,-0.000658
"ASP",7,"N","ARG",5,"C",1.01,-0.00101
"ASP",7,"N","ARG",5,"CZ",0.794,-0.0042
"ASP",7,"CG","ARG",5,"O",0.841,-0.00255
"ASP",7,"CG","ARG",5,"NH1",0.746,-0.0061
"ASP",7,"CG","ARG",5,"NH2",0.756,-0.00563
"ASP",7,"CG","HIS",6,"N",0.996,-0.00109
"ASP",7,"CG","SER",8,"OG",0.968,-0.00121
"ASP",7,"OD1","ARG",5,"C",0.874,-0.00202
"ASP",7,"OD1","ARG",5,"NE",0.804,-0.00407
"ASP",7,"OD1","ARG",5,"CZ",0.806,-0.00329
"ASP",7,"OD1","ARG",5,"1HH1",0.808,-8.93e-05
"ASP",7,"OD1","SER",8,"HG",0.794,0
"ASP",7,"OD2","ARG",5,"C",0.91,-0.00159
"ASP",7,"OD2","ARG",5,"NE",0.702,-0.00911
"ASP",7,"OD2","ARG",5,"CZ",0.691,-0.00823
"ASP",7,"OD2","ARG",5,"1HH1",0.742,-0.00015
"ASP",7,"OD2","ARG",5,"2HH1",0.734,-0.000159
"ASP",7,"OD2","ARG",5,"1HH2",0.697,-0.000217
"ASP",7,"OD2","ARG",5,"2HH2",0.709,-0.000197
"ASP",7,"OD2","SER",8,"HG",0.879,0
"SER",8,"O","HIS",13,"C",0.959,-0.00116
"GLY",9,"C","HIS",13,"O",0.723,-0.00625
"GLY",9,"O","HIS",13,"C",0.855,-0.00231
"TYR",10,"N","HIS",13,"C",0.735,-0.00668
"TYR",10,"C","ARG",5,"O",0.918,-0.0015
"TYR",10,"C","HIS",13,"N",0.774,-0.0049
"TYR",10,"C","HIS",13,"O",0.487,-0.0626
"TYR",10,"C","HIS",13,"ND1",0.509,-0.0565
"TYR",10,"C","HIS",14,"N",0.706,-0.00848
"TYR",10,"C","LYS",16,"O",0.928,-0.00141
"TYR",10,"O","HIS",13,"C",0.53,-0.0388
"TYR",10,"O","HIS",13,"O",0.431,-0.128
"TYR",10,"O","HIS",13,"CG",0.545,-0.0332
"TYR",10,"O","HIS",13,"ND1",0.434,-0.143
"TYR",10,"O","HIS",13,"HD1",0.369,-0.0096
"TYR",10,"O","HIS",14,"C",0.811,-0.00316
"TYR",10,"O","LYS",16,"C",0.893,-0.00178
"TYR",10,"CB","HIS",13,"O",0.452,-0.104
"TYR",10,"CB","HIS",13,"ND1",0.397,-0.2
"TYR",10,"CB","HIS",13,"CE1",0.401,-0.147
"TYR",10,"CB","HIS",13,"NE2",0.461,-0.107
"TYR",10,"CD1","PHE",4,"CE1",0.396,-0.134
"TYR",10,"CZ","PHE",4,"CE1",0.405,-0.127
"TYR",10,"OH","PHE",4,"CD1",0.445,-0.109
"TYR",10,"OH","ARG",5,"C",0.803,-0.00371
"TYR",10,"OH","ARG",5,"CZ",0.664,-0.0115
"TYR",10,"OH","ARG",5,"1HH1",0.503,-0.00179
"TYR",10,"OH","ARG",5,"2HH1",0.544,-0.00112
"TYR",10,"HH","ARG",5,"O",0.652,0
"TYR",10,"HH","ARG",5,"NH1",0.465,0
"TYR",10,"HH","ARG",5,"NH2",0.657,0
"GLU",11,"N","HIS",13,"C",0.707,-0.00839
"GLU",11,"C","HIS",13,"O",0.652,-0.0116
"GLU",11,"O","HIS",13,"C",0.865,-0.00215
"GLU",11,"O","HIS",14,"C",0.975,-0.00105
"GLU",11,"O","LYS",16,"C",1.01,-0.00085
"GLU",11,"CD","HIS",13,"O",1.01,-0.000855
"GLU",11,"CD","GLU",22,"OE2",1.01,-0.000829
"VAL",12,"N","HIS",13,"C",0.657,-0.013
"VAL",12,"N","HIS",14,"C",0.798,-0.00407
"VAL",12,"C","HIS",13,"N",0.72,-0.00754
"VAL",12,"C","HIS",13,"O",0.397,-0.17
"VAL",12,"C","HIS",14,"N",0.519,-0.0505
"VAL",12,"C","HIS",14,"O",0.594,-0.02
"VAL",12,"C","GLN",15,"N",0.594,-0.0234
"VAL",12,"C","LYS",16,"O",0.692,-0.00812
"VAL",12,"O","HIS",13,"C",0.389,-0.183
"VAL",12,"O","HIS",14,"N",0.438,-0.135
"VAL",12,"O","HIS",14,"C",0.533,-0.0375
"VAL",12,"O","LYS",16,"C",0.783,-0.00389
"VAL",12,"CB","HIS",13,"O",0.56,-0.0318
"VAL",12,"CB","HIS",14,"N",0.69,-0.011
"VAL",12,"HN","HIS",13,"O",0.466,-0.00242
"VAL",12,"HN","HIS",13,"ND1",0.646,-0.000466
"VAL",12,"HN","HIS",14,"N",0.657,-0.000424
"HIS",13,"N","HIS",13,"C",0.526,-0.0471
"HIS",13,"N","HIS",13,"O",0.455,-0.111
"HIS",13,"N","HIS",14,"C",0.514,-0.0535
"HIS",13,"N","GLN",15,"C",0.633,-0.0162
"HIS",13,"N","GLN",15,"CD",0.822,-0.00343
"HIS",13,"N","GLN",15,"HN",0.553,-0.00119
"HIS",13,"N","LYS",16,"C",0.699,-0.00899
"HIS",13,"CA","GLN",15,"N",0.44,-0.134
"HIS",13,"CA","GLN",15,"CA",0.43,-0.131
"HIS",13,"C","HIS",13,"N",0.817,-0.00355
"HIS",13,"C","HIS",13,"O",0.612,-0.0168
"HIS",13,"C","HIS",14,"N",0.593,-0.0236
"HIS",13,"C","HIS",14,"O",0.454,-0.0908
"HIS",13,"C","GLN",15,"N",0.482,-0.0751
"HIS",13,"C","GLN",15,"O",0.681,-0.00896
"HIS",13,"C","GLN",15,"OE1",0.7,-0.0076
"HIS",13,"C","GLN",15,"NE2",0.727,-0.00712
"HIS",13,"C","LYS",16,"N",0.56,-0.0329
"HIS",13,"C","LYS",16,"O",0.512,-0.0472
"HIS",13,"C","LEU",17,"N",0.724,-0.00731
"HIS",13,"O","HIS",13,"C",0.745,-0.00522
"HIS",13,"O","HIS",14,"C",0.59,-0.0208
"HIS",13,"O","GLN",15,"C",0.688,-0.00844
"HIS",13,"O","GLN",15,"CD",0.736,-0.00562
"HIS",13,"O","LYS",16,"C",0.697,-0.00779
"HIS",13,"CB","GLN",15,"CA",0.45,-0.108
"HIS",13,"CB","LYS",16,"C",0.466,-0.0804
"HIS",13,"CB","LYS",16,"O",0.361,-0.245
"HIS",13,"CG","LYS",16,"O",0.444,-0.101
"HIS",13,"ND1","HIS",13,"C",0.646,-0.0144
"HIS",13,"ND1","HIS",14,"C",0.732,-0.00685
"HIS",13,"ND1","LYS",16,"C",0.572,-0.0292
"HIS",13,"CD2","LYS",16,"C",0.66,-0.0103
"HIS",13,"HN","HIS",13,"O",0.551,-0.00089
"HIS",13,"HN","HIS",14,"O",0.574,-0.000697
"HIS",13,"HA","HIS",14,"O",0.361,-0.0554
"HIS",13,"HB1","LYS",16,"O",0.299,-0.0815
"HIS",13,"HD1","LYS",16,"O",0.459,-0.00265
"HIS",14,"N","HIS",13,"C",0.651,-0.0137
"HIS",14,"N","HIS",14,"C",0.413,-0.155
"HIS",14,"N","HIS",14,"O",0.374,-0.271
"HIS",14,"N","GLN",15,"N",0.414,-0.198
"HIS",14,"N","GLN",15,"CA",0.38,-0.219
"HIS",14,"N","GLN",15,"C",0.508,-0.0571
"HIS",14,"N","GLN",15,"CB",0.408,-0.183
"HIS",14,"N","GLN",15,"CG",0.394,-0.204
"HIS",14,"N","GLN",15,"CD",0.539,-0.0408
"HIS",14,"N","GLN",15,"HN",0.483,-0.00267
"HIS",14,"N","GLN",15,"HA",0.293,-0.0409
"HIS",14,"N","GLN",15,"1HE2",0.582,-0.000871
"HIS",14,"N","LYS",16,"C",0.591,-0.0241
"HIS",14,"N","LYS",16,"HN",0.443,-0.00443
"HIS",14,"CA","HIS",14,"O",0.431,-0.133
"HIS",14,"CA","GLN",15,"CB",0.451,-0.106
"HIS",14,"CA","GLN",15,"CG",0.409,-0.157
"HIS",14,"C","HIS",13,"O",0.888,-0.00184
"HIS",14,"C","HIS",14,"N",0.808,-0.0038
"HIS",14,"C","HIS",14,"O",0.559,-0.0286
"HIS",14,"C","GLN",15,"N",0.599,-0.0223
"HIS",14,"C","GLN",15,"O",0.751,-0.00501
"HIS",14,"C","GLN",15,"CG",0.401,-0.147
"HIS",14,"C","GLN",15,"OE1",0.598,-0.0192
"HIS",14,"C","GLN",15,"NE2",0.54,-0.0407
"HIS",14,"C","LYS",16,"N",0.618,-0.0185
"HIS",14,"C","LYS",16,"O",0.543,-0.0337
"HIS",14,"C","LEU",17,"N",0.693,-0.00949
"HIS",14,"C","LEU",17,"O",0.935,-0.00135
"HIS",14,"O","HIS",14,"C",0.712,-0.00685
"HIS",14,"O","GLN",15,"CD",0.568,-0.026
"HIS",14,"O","GLN",15,"1HE2",0.509,-0.00142
"HIS",14,"O","GLN",15,"2HE2",0.65,-0.000331
"HIS",14,"O","LYS",16,"C",0.726,-0.00611
"HIS",14,"CB","HIS",14,"C",0.453,-0.0923
"HIS",14,"CB","GLN",15,"CD",0.495,-0.0591
"HIS",14,"CG","GLN",15,"NE2",0.626,-0.0173
"HIS",14,"ND1","HIS",14,"C",0.581,-0.0265
"HIS",14,"ND1","GLN",15,"CD",0.746,-0.00613
"HIS",14,"CD2","HIS",14,"C",0.595,-0.0188
"HIS",14,"CD2","GLN",15,"CD",0.662,-0.0101
"HIS",14,"HN","HIS",14,"N",0.503,-0.00208
"HIS",14,"HN","HIS",14,"O",0.306,-0.0278
"HIS",14,"HN","GLN",15,"N",0.319,-0.0294
"HIS",14,"HN","GLN",15,"O",0.524,-0.0012
"HIS",14,"HN","GLN",15,"OE1",0.542,-0.000981
"HIS",14,"HN","GLN",15,"NE2",0.563,-0.00106
"HIS",14,"HN","LYS",16,"N",0.437,-0.00479
"HIS",14,"HN","LYS",16,"O",0.473,-0.00222
"HIS",14,"HB1","HIS",14,"O",0.259,0.359
"GLN",15,"N","HIS",14,"C",0.637,-0.0156
"GLN",15,"N","GLN",15,"C",0.582,-0.0263
"GLN",15,"N","GLN",15,"CG",0.372,-0.221
"GLN",15,"N","GLN",15,"CD",0.465,-0.0908
"GLN",15,"N","GLN",15,"1HE2",0.489,-0.00247
"GLN",15,"N","GLN",15,"2HE2",0.591,-0.000797
"GLN",15,"N","LYS",16,"C",0.512,-0.0544
"GLN",15,"N","LYS",16,"O",0.424,-0.159
"GLN",15,"N","LYS",16,"HN",0.45,-0.00405
"GLN",15,"CA","GLN",15,"CG",0.425,-0.137
"GLN",15,"CA","LYS",16,"O",0.385,-0.213
"GLN",15,"CA","LEU",17,"CB",0.441,-0.117
"GLN",15,"CA","LEU",17,"CD1",0.45,-0.107
"GLN",15,"C","GLN",15,"O",0.674,-0.00953
"GLN",15,"C","GLN",15,"CG",0.437,-0.109
"GLN",15,"C","GLN",15,"OE1",0.489,-0.0612
"GLN",15,"C","GLN",15,"NE2",0.549,-0.0368
"GLN",15,"C","LYS",16,"N",0.464,-0.0916
"GLN",15,"C","LYS",16,"O",0.286,1.45
"GLN",15,"C","LEU",17,"O",0.624,-0.015
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