All Interactions
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Chains |
Hydro. Bond Ener. (kJ/mol) |
Elec. Ener. (kJ/mol) |
VDW. Ener. (kJ/mol) |
Tot. Stab. Ener. (kJ/mol) |
#int. res. |
# Short cont. |
#Hydr. int. |
#VDW pairs |
#salt bridges |
#Pot. fav. elec. int |
#Pot. unfav. elec. int |
int. res. |
A-B |
-493.1815 |
-342.0537 |
-2654.22 |
-3489.4552 |
776 |
204 |
67 |
110816 |
30 |
267 |
232 |
|
A-C |
-23.0342 |
5.9991 |
-74.3827 |
-91.4178 |
50 |
11 |
0 |
3141 |
0 |
16 |
17 |
|
A-D |
-4.1423 |
-19.8227 |
-43.44 |
-67.405 |
39 |
2 |
1 |
2401 |
1 |
12 |
5 |
|
A-E |
-91.1377 |
-87.529 |
-573.539 |
-752.2058 |
198 |
48 |
14 |
23818 |
6 |
79 |
64 |
|
A-F |
-100.5461 |
-40.6791 |
-509.825 |
-651.0501 |
176 |
32 |
15 |
21476 |
2 |
64 |
53 |
|
A-G |
-21.2511 |
-67.4647 |
-122.537 |
-211.2528 |
62 |
13 |
5 |
5643 |
3 |
19 |
15 |
|
A-H |
-97.76 |
-18.0595 |
-382.875 |
-498.6945 |
135 |
66 |
12 |
17456 |
3 |
35 |
33 |
|
A-I |
-80.609 |
-22.1781 |
-441.05 |
-543.8371 |
141 |
42 |
10 |
17588 |
6 |
51 |
48 |
|
A-K |
-37.2128 |
-34.442 |
-261.419 |
-333.0738 |
94 |
14 |
8 |
9971 |
3 |
23 |
18 |
|
A-P |
-3.0918 |
-14.9036 |
17 |
ARG209P, ARG28A, ARG36A, ASP186P, ASP189P, ASP204P, ASP205P, ASP85A, GLU190P, GLU206P, GLU208P, GLU277A, GLU280A, HIS281A, HIS83A, LYS192P, LYS34A |
B-C |
-87.7507 |
-118.3569 |
-470.368 |
-676.4755 |
169 |
49 |
5 |
18173 |
6 |
56 |
60 |
|
B-D |
0.0 |
-13.9769 |
-63.2426 |
-77.2195 |
41 |
2 |
1 |
2778 |
1 |
16 |
18 |
|
B-E |
0.0 |
0.0 |
-1.2448 |
-1.2448 |
8 |
4 |
0 |
493 |
0 |
2 |
1 |
|
B-F |
0.0 |
5.4185 |
-12.139 |
-6.7204 |
24 |
0 |
0 |
593 |
0 |
6 |
7 |
|
B-G |
-4.1684 |
-3.4001 |
-8.5421 |
-16.1106 |
26 |
0 |
0 |
755 |
0 |
7 |
4 |
|
B-H |
0.0 |
0.0 |
-0.2529 |
-0.2529 |
2 |
0 |
0 |
39 |
0 |
0 |
0 |
|
B-I |
-24.6053 |
-86.6411 |
-274.131 |
-385.3774 |
132 |
29 |
2 |
13784 |
5 |
52 |
52 |
|
B-J |
-23.1218 |
-33.6743 |
-397.538 |
-454.3341 |
139 |
39 |
7 |
18536 |
5 |
35 |
36 |
|
B-K |
-8.4326 |
-26.1023 |
-85.8983 |
-120.4332 |
56 |
7 |
0 |
3382 |
3 |
15 |
19 |
|
B-L |
-61.8009 |
-76.0563 |
-229.684 |
-367.5412 |
112 |
25 |
8 |
11025 |
12 |
48 |
45 |
|
B-S |
0.0 |
-4.358 |
4 |
ASP118S, ASP166S, HIS1177B, LYS1183B |
C-H |
0.0 |
-2.6573 |
-32.5381 |
-35.1954 |
24 |
1 |
1 |
1462 |
0 |
8 |
6 |
|
C-J |
-51.4711 |
-41.8146 |
-222.282 |
-315.5677 |
105 |
32 |
11 |
12323 |
9 |
38 |
26 |
|
C-K |
-41.4107 |
-28.5957 |
-513.676 |
-583.6824 |
153 |
56 |
18 |
23386 |
6 |
48 |
47 |
|
C-L |
-36.0457 |
-36.5948 |
-169.286 |
-241.9265 |
62 |
14 |
9 |
6163 |
6 |
24 |
16 |
|
D-G |
-64.4424 |
-39.5016 |
-629.51 |
-733.454 |
201 |
49 |
23 |
25664 |
10 |
55 |
50 |
|
D-M |
-5.8917 |
-9.4452 |
-43.8565 |
-59.1934 |
42 |
6 |
0 |
1939 |
5 |
39 |
22 |
|
E-F |
-6.7972 |
-19.8507 |
-23.0426 |
-49.6905 |
22 |
4 |
0 |
1216 |
0 |
6 |
4 |
|
F-G |
-3.0415 |
-11.686 |
-106.526 |
-121.2535 |
54 |
15 |
1 |
4875 |
1 |
10 |
11 |
|
G-M |
0.0 |
0.0 |
-0.7928 |
-0.7928 |
3 |
0 |
0 |
79 |
0 |
3 |
0 |
|
G-N |
0.0 |
-3.2325 |
0.0 |
-3.2325 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
|
G-S |
0.0 |
17.8933 |
11 |
GLU100G, GLU100S, HIS113G, HIS113S, HIS158G, HIS158S, HIS97G, HIS97S, LYS107G, LYS107S, LYS112S |
H-K |
0.0 |
0.0 |
-34.1004 |
-34.1004 |
25 |
2 |
0 |
1702 |
0 |
5 |
5 |
|
J-L |
0.0 |
0.0 |
-9.541 |
-9.541 |
10 |
2 |
0 |
483 |
0 |
0 |
1 |
|
K-L |
0.0 |
8.4237 |
-0.8648 |
7.5589 |
5 |
0 |
0 |
147 |
0 |
3 |
2 |
|
M-N |
-553.4481 |
-348.8323 |
-1036.91 |
-1939.1904 |
482 |
89 |
16 |
44188 |
3 |
113 |
101 |
|
M-O |
-11.7682 |
6.9645 |
7 |
ASP190O, ASP538M, ASP672M, GLU194O, LYS569M, LYS738M, TYR221O |
M-P |
-5.447 |
-18.8616 |
5 |
ARG13P, ARG14P, GLU16M, GLU226M, LYS16P |
M-Q |
-87.1878 |
-93.9449 |
35 |
ARG1012M, ARG1326M, ARG1345M, ARG167Q, ARG169Q, ARG177Q, ARG200Q, ARG207Q, ARG212Q, ARG857M, ASP1013M, ASP1323M, ASP182Q, ASP853M, ASP871M, GLN174Q, GLU1005M, GLU1342M, GLU148Q, GLU163Q, GLU203Q, GLU870M, GLU945M, HIS147Q, HIS153Q, ILE1341M, LYS201Q, PHE866M, SER205Q, THR1325M, THR1377M, THR204Q, TYR168Q, TYR208Q, VAL863M |
M-R |
-84.1227 |
-39.0015 |
23 |
ARG1055M, ARG135R, ARG92R, ASP140R, ASP1442M, ASP1446M, ASP145R, ASP154R, ASP853M, ASP874M, GLU1062M, GLU149R, GLU496M, GLU500M, GLU89R, HIS1059M, HIS851M, LYS1452M, LYS87R, MET1444M, PRO131R, TYR852M, VAL133R |
M-S |
-18.3048 |
-58.7112 |
11 |
ARG58S, ARG60S, ASP1442M, ASP1446M, ASP65S, GLU1447M, GLU1448M, GLU496M, ILE61S, LYS23S, VAL1443M |
M-T |
-94.5654 |
-23.1808 |
27 |
ALA564M, ARG19T, ARG25T, ARG537M, ASP41T, ASP538M, ASP602M, ASP609M, ASP739M, ASP974M, GLU106T, GLU138T, GLU45T, GLY119T, GLY120T, HIS975M, ILE560M, ILE566M, LYS136T, LYS22T, LYS567M, LYS569M, LYS738M, SER573M, TRP79T, TYR98T, VAL96T |
M-U |
-77.6722 |
-20.6883 |
29 |
ALA699M, ARG1194M, ARG45U, ARG711M, ARG91U, ASP1257M, ASP65U, ASP781M, ASP94U, GLN114U, GLN698M, GLN87U, GLU1151M, GLU1196M, GLU1256M, GLU1264M, GLU18U, GLU47U, GLU712M, HIS46U, ILE1152M, LYS789M, PRO41U, SER112U, SER1150M, THR67U, TYR1154M, TYR44U, VAL43U |
M-W |
-35.0766 |
-31.9584 |
16 |
ARG47W, ASN2W, ASN548M, ASP356M, ASP544M, ASP555M, ASP557M, HIS65W, LYS26W, LYS461M, LYS62W, LYS651M, SER369M, TYR465M, TYR551M, TYR61W |
N-O |
-67.5173 |
-113.3274 |
38 |
ALA1003N, ALA168O, ARG1060N, ARG1067N, ARG34O, ARG35O, ARG848N, ARG852N, ARG969N, ARG995N, ASN31O, ASP181O, ASP190O, ASP60O, ASP847N, ASP950N, ASP998N, GLU1004N, GLU166O, GLU177O, GLU179O, GLU194O, GLU200O, GLU40O, GLU61O, GLU997N, GLY1075N, HIS1076N, HIS167O, HIS188O, HIS65O, LYS1079N, LYS1080N, LYS165O, LYS169O, MET1082N, PHE178O, TYR180O |
N-P |
0.0 |
-15.0757 |
6 |
ARG1215N, ARG13P, ASP1186N, ASP1190N, ASP1219N, LYS17P |
N-R |
0.0 |
-1.9233 |
3 |
ASP1223N, ASP140R, LYS72R |
N-S |
-3.0526 |
-2.9967 |
4 |
ASP1190N, LYS1148N, LYS41S, THR64S |
N-U |
-31.5775 |
-87.0591 |
22 |
ARG30U, ARG392N, ARG617N, ARG620N, ARG91U, ARG92U, ASN12U, ASP294N, ASP391N, ASP394N, ASP576N, ASP618N, ASP61U, ASP65U, ASP94U, GLU312N, GLU319N, HIS46U, LYS393N, LYS622N, LYS93U, MET13U |
N-V |
-35.12 |
-35.9646 |
17 |
ARG43V, ARG48V, ARG62V, ARG6V, ARG848N, ARG996N, ASP1009N, CYS10V, GLU1004N, GLU1041N, GLU186N, GLU32V, GLU816N, LYS42V, LYS59V, PHE8V, SER9V |
N-W |
-12.1677 |
-22.2539 |
10 |
ARG6W, ARG995N, ASP1100N, ASP39W, ASP847N, ASP998N, GLU997N, HIS1076N, HIS40W, MET1W |
N-X |
-57.9581 |
-64.1959 |
32 |
ARG120N, ARG42X, ARG47X, ARG54X, ARG63X, ARG70X, ARG852N, ARG904N, ASP106N, ASP847N, ASP894N, ASP896N, GLN66X, GLU104N, GLU116N, GLU33X, GLU68X, GLU875N, GLY902N, HIS110N, HIS53X, ILE55X, LEU56X, LEU898N, LYS193N, LYS28X, LYS58X, LYS892N, LYS962N, THR61X, THR955N, VAL954N |
O-T |
0.0 |
-6.3677 |
4 |
ASP190O, GLU45T, LYS187O, LYS22T |
O-V |
-48.3387 |
-44.0568 |
23 |
ARG148O, ARG43V, ARG62V, ARG66O, ARG6V, ASN64V, ASP136O, ASP16O, ASP16V, ASP55V, GLU138O, GLU177O, GLU19V, GLU233O, GLU58V, LEU69O, LYS12V, LYS146O, LYS149O, LYS169O, LYS17V, LYS42V, VAL3V |
O-W |
-43.915 |
-20.6882 |
27 |
ARG35O, ARG6W, ASP241O, ASP249O, ASP266O, ASP26O, ASP39W, ASP5W, GLN252O, GLU106W, GLU108W, GLU166O, GLU38W, GLU3O, GLU40O, GLU49W, HIS167O, HIS40W, ILE95W, LYS102W, LYS165O, LYS18W, LYS254O, LYS84W, LYS97W, LYS9O, THR41W |
O-X |
-39.2015 |
-37.2337 |
16 |
ALA69X, ARG60X, ARG70X, ASP47O, ASP60O, GLU166O, GLU52O, GLU61O, GLU68X, HIS167O, HIS65O, LYS169O, PHE67X, VAL49O, VAL51O, VAL65X |
P-S |
-64.9798 |
-27.3548 |
34 |
ARG66P, ARG68P, ARG72P, ARG75S, ASP140P, ASP166S, ASP189P, ASP50S, ASP52S, ASP55S, ASP6S, ASP88S, GLN37P, GLU190P, GLU22P, GLU32P, GLU35S, GLU45P, GLU61P, GLU65P, HIS40P, ILE48P, ILE4S, LEU50P, LYS41S, LYS5S, LYS73S, LYS83S, PHE2S, SER8S, THR5P, TYR147P, TYR167S, VAL48S |
Q-R |
-5.7482 |
-20.5613 |
4 |
ARG169Q, ASP140R, LYS171Q, SER142R |
R-S |
-5.0449 |
-10.7649 |
6 |
ARG135R, ARG58S, ARG60S, ASP145R, GLN100R, GLY66S |
W-X |
0.0 |
8.1684 |
2 |
ARG6W, ARG70X |
|