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 |
-392.5761 |
-304.6976 |
-2498.64 |
-3195.9138 |
769 |
233 |
62 |
109645 |
24 |
261 |
237 |
|
A-C |
-12.742 |
10.4473 |
-63.0522 |
-65.3469 |
49 |
7 |
0 |
3011 |
0 |
17 |
19 |
|
A-D |
0.0 |
-10.785 |
-21.6773 |
-32.4623 |
31 |
2 |
1 |
1422 |
0 |
11 |
4 |
|
A-E |
-85.4162 |
-86.0536 |
-542.663 |
-714.1329 |
207 |
44 |
14 |
23599 |
7 |
79 |
62 |
|
A-F |
-95.8745 |
-52.1195 |
-488.891 |
-636.885 |
175 |
45 |
15 |
21405 |
2 |
65 |
55 |
|
A-G |
-11.4783 |
-66.9743 |
-116.72 |
-195.1726 |
67 |
10 |
4 |
5593 |
3 |
22 |
15 |
|
A-H |
-69.7049 |
-26.5126 |
-361.747 |
-457.9645 |
138 |
57 |
13 |
17208 |
4 |
35 |
35 |
|
A-I |
-93.4102 |
-35.9209 |
-422.378 |
-551.7091 |
138 |
44 |
11 |
17241 |
4 |
54 |
49 |
|
A-K |
-20.1448 |
-25.5977 |
-239.257 |
-284.9995 |
92 |
24 |
8 |
9968 |
3 |
23 |
20 |
|
A-P |
0.0 |
-15.7865 |
13 |
ARG209P, ARG28A, ARG36A, ASP189P, ASP204P, ASP205P, ASP85A, GLU206P, GLU208P, GLU277A, HIS281A, HIS83A, LYS34A |
B-C |
-86.9731 |
-109.3548 |
-410.374 |
-606.7019 |
167 |
46 |
4 |
17882 |
10 |
58 |
60 |
|
B-D |
-7.7744 |
-17.4572 |
-43.2635 |
-68.4951 |
34 |
2 |
1 |
2455 |
2 |
16 |
19 |
|
B-E |
0.0 |
0.0 |
-2.0513 |
-2.0513 |
9 |
3 |
0 |
366 |
0 |
2 |
1 |
|
B-F |
-12.3458 |
-14.4058 |
-17.0015 |
-43.7532 |
27 |
2 |
0 |
684 |
1 |
7 |
8 |
|
B-G |
-8.4828 |
-3.2083 |
-9.264 |
-20.9552 |
27 |
1 |
0 |
862 |
0 |
6 |
4 |
|
B-H |
0.0 |
0.0 |
-0.6048 |
-0.6048 |
2 |
0 |
0 |
49 |
0 |
0 |
0 |
|
B-I |
-3.8497 |
-61.3182 |
-261.698 |
-326.8659 |
131 |
23 |
2 |
13240 |
3 |
51 |
50 |
|
B-J |
-28.8912 |
-28.8238 |
-366.407 |
-424.1219 |
140 |
38 |
6 |
18148 |
3 |
35 |
37 |
|
B-K |
-11.1374 |
-11.6722 |
-76.6809 |
-99.4905 |
57 |
13 |
0 |
3406 |
2 |
16 |
18 |
|
B-L |
-40.1589 |
-60.0705 |
-201.862 |
-302.0914 |
108 |
14 |
8 |
10527 |
8 |
44 |
43 |
|
B-S |
0.0 |
-3.42 |
2 |
ASP118S, HIS1177B |
C-H |
0.0 |
-2.8487 |
-28.699 |
-31.5477 |
24 |
0 |
1 |
1424 |
0 |
8 |
7 |
|
C-J |
-59.9915 |
-12.6944 |
-217.497 |
-290.1828 |
105 |
42 |
11 |
12476 |
6 |
38 |
26 |
|
C-K |
-21.8105 |
-25.6252 |
-409.308 |
-456.7437 |
155 |
40 |
16 |
21685 |
6 |
46 |
45 |
|
C-L |
-34.3989 |
-73.4671 |
-136.536 |
-244.402 |
61 |
9 |
9 |
5850 |
7 |
23 |
16 |
|
D-F |
0.0 |
0.0 |
-0.7682 |
-0.7682 |
6 |
0 |
0 |
135 |
0 |
1 |
2 |
|
D-G |
-40.5761 |
5.3582 |
-498.283 |
-533.5008 |
194 |
47 |
21 |
24124 |
7 |
59 |
52 |
|
D-M |
-7.2753 |
-22.3075 |
-57.7829 |
-87.3657 |
45 |
8 |
0 |
2532 |
4 |
44 |
23 |
|
E-F |
-11.0936 |
-24.5453 |
-25.1377 |
-60.7766 |
23 |
6 |
0 |
1286 |
1 |
7 |
4 |
|
F-G |
-5.1937 |
-12.4063 |
-104.302 |
-121.902 |
56 |
6 |
1 |
4865 |
1 |
11 |
12 |
|
G-M |
0.0 |
0.0 |
-1.186 |
-1.186 |
6 |
0 |
0 |
101 |
0 |
4 |
0 |
|
G-N |
0.0 |
-5.0043 |
0.0 |
-5.0043 |
4 |
0 |
0 |
0 |
0 |
0 |
0 |
|
G-S |
0.0 |
7.2783 |
12 |
GLU100G, GLU100S, HIS113G, HIS113S, HIS158G, HIS158S, HIS97G, HIS97S, LYS107G, LYS107S, LYS112G, LYS112S |
H-K |
0.0 |
0.0 |
-21.1613 |
-21.1613 |
24 |
1 |
0 |
1493 |
0 |
4 |
5 |
|
J-L |
0.0 |
0.0 |
-10.3504 |
-10.3504 |
9 |
0 |
0 |
516 |
0 |
1 |
1 |
|
K-L |
0.0 |
8.4374 |
-1.5428 |
6.8945 |
5 |
0 |
0 |
212 |
0 |
3 |
2 |
|
M-N |
-413.4509 |
-300.5039 |
-939.497 |
-1653.4519 |
447 |
77 |
12 |
40553 |
4 |
104 |
98 |
|
M-O |
-11.3082 |
10.2218 |
5 |
ASP190O, ASP538M, ASP672M, GLU194O, LYS738M |
M-P |
0.0 |
-10.4931 |
2 |
ARG14P, GLU226M |
M-Q |
-88.9918 |
-85.2268 |
35 |
ARG1012M, ARG1326M, ARG1345M, ARG14Q, ARG169Q, ARG200Q, ARG207Q, ARG212Q, ARG857M, ASP1013M, ASP1323M, ASP182Q, ASP853M, ASP871M, GLN174Q, GLU1005M, GLU1342M, GLU148Q, GLU163Q, GLU203Q, GLU870M, GLU945M, HIS146Q, HIS147Q, HIS153Q, ILE1327M, LYS201Q, PHE866M, SER205Q, THR1318M, THR1325M, THR204Q, TYR168Q, TYR208Q, VAL863M |
M-R |
-82.745 |
-51.7479 |
27 |
ARG1055M, ARG135R, ARG92R, ASP116R, ASP140R, ASP1442M, ASP1446M, ASP145R, ASP154R, ASP77R, ASP853M, ASP874M, GLU1062M, GLU149R, GLU495M, GLU496M, GLU500M, GLU89R, HIS1059M, LYS1003M, LYS1452M, LYS87R, MET1444M, PHE1441M, PRO131R, TYR852M, VAL133R |
M-S |
-10.7166 |
-67.3289 |
12 |
ARG21S, ARG58S, ARG60S, ASP1442M, ASP1446M, ASP65S, GLU1447M, GLU1448M, GLU496M, ILE61S, LYS23S, VAL1443M |
M-T |
-71.1018 |
-18.2508 |
30 |
ALA564M, ARG19T, ARG25T, ARG537M, ASP41T, ASP538M, ASP602M, ASP609M, ASP739M, ASP94T, ASP974M, GLU106T, GLU138T, GLU45T, GLY119T, GLY120T, HIS975M, ILE560M, ILE566M, LEU598M, LYS103T, LYS136T, LYS22T, LYS567M, LYS569M, LYS601M, SER573M, TRP79T, TYR98T, VAL96T |
M-U |
-78.43 |
-33.029 |
34 |
ARG1194M, ARG17U, ARG45U, ARG711M, ARG91U, ASN700M, ASP1257M, ASP65U, ASP781M, ASP94U, GLN87U, GLU1151M, GLU1196M, GLU1255M, GLU1256M, GLU1264M, GLU18U, GLU47U, GLU712M, HIS46U, ILE1148M, ILE1152M, ILE49U, LEU48U, LYS115U, LYS1261M, LYS789M, LYS93U, PRO41U, SER1150M, THR67U, TYR1154M, TYR44U, VAL43U |
M-W |
-20.0895 |
-28.2748 |
14 |
ARG469M, ARG47W, ASN2W, ASN548M, ASP356M, ASP544M, ASP555M, ASP557M, HIS65W, LYS26W, LYS62W, LYS651M, SER369M, TYR61W |
N-O |
-74.149 |
-112.9292 |
32 |
ARG1060N, ARG1067N, ARG34O, ARG35O, ARG848N, ARG852N, ARG969N, ARG995N, ARG996N, ASP181O, ASP190O, ASP60O, ASP847N, ASP950N, ASP998N, GLU1004N, GLU177O, GLU179O, GLU194O, GLU200O, GLU40O, GLU61O, GLU997N, HIS1076N, HIS167O, HIS188O, HIS65O, LYS1079N, LYS1080N, LYS165O, MET1082N, TYR180O |
N-P |
-8.5739 |
-16.9081 |
6 |
ARG12P, ARG13P, ASP1190N, ASP1219N, GLY1164N, LYS17P |
N-R |
-10.9553 |
-13.952 |
3 |
ASP1223N, ASP140R, LYS72R |
N-S |
-8.2179 |
-3.2541 |
4 |
ASP1190N, LYS1148N, LYS41S, THR64S |
N-U |
-6.3797 |
-60.0634 |
15 |
ARG617N, ARG620N, ARG91U, ARG92U, ASP391N, ASP394N, ASP576N, ASP618N, ASP61U, ASP65U, GLU312N, HIS46U, LYS393N, LYS622N, LYS93U |
N-V |
-32.1799 |
-26.9474 |
15 |
ARG43V, ARG48V, ARG62V, ARG6V, ARG848N, ASN822N, GLU1004N, GLU1041N, GLU186N, GLU32V, GLU816N, LYS191N, LYS42V, LYS59V, PHE8V |
N-W |
-5.6972 |
-13.3761 |
7 |
ARG6W, ASP39W, ASP847N, ASP998N, GLU997N, HIS1076N, HIS40W |
N-X |
-53.7687 |
-62.5975 |
25 |
ALA32X, ARG120N, ARG42X, ARG54X, ARG70X, ARG852N, ARG904N, ASP847N, ASP894N, ASP896N, GLN66X, GLU104N, GLU116N, GLU33X, GLU68X, GLU875N, HIS110N, HIS53X, LEU56X, LEU898N, LYS193N, LYS28X, LYS58X, LYS962N, VAL954N |
O-T |
0.0 |
-6.4172 |
4 |
ASP190O, GLU45T, LYS187O, LYS22T |
O-V |
-58.4387 |
-12.1209 |
23 |
ARG148O, ARG43V, ARG62V, ARG66O, ARG6V, ASP136O, ASP16O, ASP16V, ASP55V, GLU138O, GLU177O, GLU19V, GLU233O, GLU58V, GLY15V, LEU143O, LEU69O, LYS12V, LYS146O, LYS169O, LYS17V, LYS42V, VAL3V |
O-W |
-23.3884 |
-29.6295 |
23 |
ARG35O, ARG6W, ASP241O, ASP249O, ASP266O, ASP26O, ASP39W, ASP5W, GLU106W, GLU108W, GLU166O, GLU38W, GLU49W, HIS167O, HIS40W, LYS102W, LYS165O, LYS18W, LYS254O, LYS84W, LYS97W, LYS9O, THR41W |
O-X |
-31.442 |
-73.3672 |
11 |
ARG60X, ARG70X, ASP47O, ASP60O, GLU166O, GLU61O, GLU68X, HIS167O, LYS169O, PHE67X, VAL49O |
P-S |
-43.2408 |
5.5308 |
31 |
ARG21S, ARG66P, ARG72P, ARG75S, ASN39P, ASP166S, ASP189P, ASP50S, ASP52S, ASP55S, ASP6S, GLN37P, GLU190P, GLU22P, GLU32P, GLU35S, GLU45P, GLU61P, GLU65P, HIS40P, LEU50P, LYS41S, LYS5S, LYS73S, LYS76P, LYS80S, LYS83S, PHE2S, SER6P, SER8S, THR5P |
Q-R |
-8.9062 |
-24.4149 |
3 |
ARG169Q, ASP140R, LYS171Q |
R-S |
-4.4587 |
-11.5026 |
4 |
ARG135R, ARG58S, ARG60S, ASP145R |
W-X |
0.0 |
8.2681 |
2 |
ARG6W, ARG70X |
|