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 |
-361.715 |
-209.4664 |
-2053.37 |
-2624.5514 |
775 |
369 |
44 |
106680 |
22 |
254 |
238 |
|
A-C |
0.0 |
9.9838 |
-51.8052 |
-41.8214 |
48 |
3 |
0 |
2248 |
0 |
13 |
14 |
|
A-D |
-2.4871 |
7.0232 |
0.5176 |
5.0537 |
62 |
71 |
3 |
5701 |
2 |
7 |
10 |
|
A-E |
-71.3236 |
-63.9434 |
-477.091 |
-612.358 |
194 |
59 |
11 |
22273 |
7 |
81 |
68 |
|
A-F |
-31.772 |
-45.4704 |
-401.699 |
-478.9414 |
174 |
40 |
15 |
21054 |
4 |
56 |
46 |
|
A-G |
-3.2386 |
-29.6251 |
-76.7753 |
-109.639 |
84 |
37 |
6 |
6807 |
0 |
15 |
14 |
|
A-H |
-59.399 |
-59.0069 |
-269.521 |
-387.9269 |
122 |
33 |
5 |
14009 |
4 |
33 |
37 |
|
A-I |
-23.3458 |
-63.662 |
-183.671 |
-270.6788 |
133 |
46 |
5 |
12217 |
1 |
70 |
54 |
|
A-K |
-11.4156 |
-11.8972 |
-167.811 |
-191.1238 |
87 |
46 |
1 |
8690 |
0 |
12 |
11 |
|
A-M |
0.0 |
-26.0245 |
-43.7319 |
-69.7564 |
46 |
1 |
1 |
1738 |
2 |
7 |
7 |
|
A-O |
0.0 |
-21.1104 |
4 |
ARG65A, ASP264O, GLU266O, HIS424A |
A-R |
-9.8629 |
0.0 |
2 |
LEU101R, TYR434A |
A-W |
-5.5973 |
2.9479 |
5 |
ASP79W, GLN84W, GLU21W, GLU417A, LYS68A |
B-C |
-71.3972 |
-88.884 |
-437.354 |
-597.6352 |
165 |
54 |
7 |
17940 |
5 |
59 |
56 |
|
B-D |
0.0 |
0.0 |
-0.0037 |
-0.0037 |
5 |
0 |
0 |
4 |
0 |
0 |
0 |
|
B-F |
0.0 |
0.6841 |
-8.2916 |
-7.6075 |
20 |
2 |
0 |
398 |
0 |
2 |
4 |
|
B-G |
0.0 |
-12.7292 |
-17.2445 |
-29.9737 |
36 |
0 |
0 |
1185 |
0 |
8 |
8 |
|
B-H |
0.0 |
0.0 |
-0.1404 |
-0.1404 |
5 |
0 |
0 |
54 |
0 |
0 |
0 |
|
B-I |
-29.688 |
-88.9263 |
-204.034 |
-322.6483 |
137 |
36 |
1 |
10797 |
4 |
45 |
50 |
|
B-J |
-53.1075 |
5.712 |
-390.706 |
-438.1014 |
144 |
35 |
7 |
16946 |
1 |
25 |
27 |
|
B-K |
-6.9748 |
-28.7199 |
-70.5903 |
-106.285 |
59 |
4 |
0 |
3471 |
3 |
14 |
21 |
|
B-L |
-34.0942 |
-22.5111 |
-202.715 |
-259.3203 |
111 |
29 |
3 |
10165 |
3 |
39 |
39 |
|
B-O |
-3.3666 |
-4.69 |
12 |
ARG261O, ARG868B, ARG873B, ASP264O, ASP880B, ASP884B, ASP91O, GLU265O, GLU266O, GLU883B, LYS875B, SER869B |
B-W |
-6.8713 |
0.0 |
4 |
GLN919B, GLU78W, ILE94W, LYS1165B |
C-H |
-2.7879 |
0.0 |
-30.02 |
-32.8079 |
31 |
4 |
1 |
1512 |
0 |
3 |
4 |
|
C-J |
-12.7197 |
-22.8091 |
-258.663 |
-294.1917 |
111 |
17 |
9 |
12644 |
5 |
29 |
22 |
|
C-K |
-12.7016 |
18.4192 |
-387.114 |
-381.3964 |
151 |
37 |
18 |
19798 |
1 |
64 |
55 |
|
C-L |
-31.6461 |
-66.5761 |
-177.077 |
-275.2992 |
59 |
9 |
9 |
6535 |
6 |
24 |
14 |
|
C-M |
0.0 |
0.0 |
-0.0424 |
-0.0424 |
3 |
0 |
0 |
17 |
0 |
6 |
5 |
|
C-N |
0.0 |
0.0 |
-0.078 |
-0.078 |
2 |
0 |
0 |
13 |
0 |
4 |
2 |
|
D-G |
-49.817 |
-77.9445 |
-223.345 |
-351.1065 |
144 |
73 |
20 |
16504 |
7 |
50 |
33 |
|
E-F |
0.0 |
-6.6523 |
-14.0782 |
-20.7305 |
19 |
2 |
0 |
897 |
1 |
7 |
5 |
|
F-G |
0.0 |
2.9721 |
-72.1294 |
-69.1573 |
41 |
6 |
2 |
3872 |
0 |
8 |
7 |
|
G-T |
-5.0333 |
-2.0739 |
3 |
GLU3T, LYS140G, SER4T |
J-L |
0.0 |
0.0 |
-5.5748 |
-5.5748 |
11 |
0 |
0 |
246 |
0 |
0 |
1 |
|
K-L |
0.0 |
10.919 |
-6.3642 |
4.5548 |
7 |
1 |
0 |
335 |
0 |
3 |
2 |
|
K-M |
0.0 |
0.0 |
-23.279 |
-23.279 |
14 |
3 |
0 |
736 |
0 |
2 |
4 |
|
L-O |
0.0 |
-23.7433 |
3 |
ARG56L, ASP93O, LYS55L |
M-N |
-373.6115 |
-193.7752 |
-632.667 |
-1200.0537 |
394 |
94 |
5 |
30382 |
0 |
98 |
94 |
|
M-O |
0.0 |
9.9838 |
3 |
ASP674M, ASP678M, GLU195O |
M-P |
0.0 |
1.6661 |
6 |
ARG84P, ASP1493M, ASP1501M, ASP23P, GLU29P, LYS87P |
M-Q |
-71.3508 |
-40.2086 |
39 |
ARG1280M, ARG1332M, ARG1351M, ARG1359M, ARG1372M, ARG1384M, ARG162Q, ARG166Q, ARG172Q, ARG195Q, ARG202Q, ARG207Q, ASN1016M, ASP1007M, ASP1012M, ASP134Q, ASP161Q, ASP177Q, ASP859M, ASP868M, ASP877M, GLN169Q, GLU1321M, GLU1348M, GLU143Q, GLU198Q, GLU876M, HIS1386M, HIS142Q, HIS148Q, ILE1009M, ILE1347M, ILE869M, LYS164Q, LYS6Q, LYS952M, PHE872M, THR1331M, TYR203Q |
M-R |
-32.0794 |
-42.0964 |
25 |
ARG125R, ARG504M, ARG80R, ARG82R, ASP106R, ASP135R, ASP1448M, ASP1452M, ASP444M, ASP446M, ASP880M, GLN393M, GLU1065M, GLU140R, GLU384M, GLU501M, GLU502M, GLU506M, GLU509M, LEU123R, LYS515M, LYS77R, PHE1447M, THR105R, TYR1450M |
M-S |
-4.0458 |
-31.1045 |
8 |
ARG14M, ARG61S, ARG76S, ASP1448M, ASP1493M, GLU70S, ILE1449M, VAL62S |
M-T |
-53.6698 |
-59.0258 |
19 |
ARG23T, ARG26T, ARG543M, ASN605M, ASP41T, ASP544M, ASP608M, ASP745M, GLU614M, GLU617M, GLY99T, ILE75T, LEU572M, LYS20T, LYS573M, LYS744M, LYS79T, PRO606M, TYR74T |
M-U |
0.0 |
-64.3457 |
22 |
ARG17U, ARG23U, ARG45U, ARG717M, ASP1160M, ASP1163M, ASP65U, ASP796M, GLU112U, GLU1154M, GLU1167M, GLU1261M, GLU1262M, GLU1270M, GLU18U, GLU47U, HIS1156M, HIS46U, HIS705M, HIS89U, LYS42U, LYS795M |
M-W |
-11.4037 |
-11.902 |
6 |
ASN2W, ASP362M, ASP563M, HIS64W, LYS25W, TYR471M |
N-O |
-71.4186 |
-88.8907 |
36 |
ALA169O, ALA200O, ARG1049N, ARG1056N, ARG1068N, ARG34O, ARG837N, ARG841N, ARG958N, ARG984N, ASN30O, ASP182O, ASP191O, ASP59O, ASP836N, ASP939N, ASP987N, GLN1073N, GLN775N, GLU180O, GLU195O, GLU201O, GLU39O, GLU60O, GLU986N, HIS1065N, HIS168O, HIS189O, HIS64O, HIS985N, LYS1069N, LYS166O, LYS170O, THR960N, VAL1071N, VAL56O |
N-R |
-8.7834 |
0.6819 |
3 |
HIS1130N, LYS77R, TYR78R |
N-S |
0.0 |
-14.3048 |
2 |
ARG1176N, ASP154S |
N-U |
-27.7959 |
-89.3968 |
24 |
ARG281N, ARG378N, ARG45U, ARG603N, ARG606N, ARG70U, ARG91U, ARG92U, ASN11U, ASN52U, ASP604N, ASP61U, ASP65U, ASP72U, GLN295N, GLU298N, GLU377N, GLU380N, GLU47U, GLU82U, HIS723N, HIS725N, HIS89U, LYS608N |
N-V |
-40.8878 |
5.7107 |
18 |
ARG47V, ARG6V, ARG837N, ASN811N, ASP171N, ASP998N, CYS10V, GLU179N, GLU805N, HIS52V, LYS1022N, LYS58V, LYS790N, PHE8V, SER9V, THR51V, TYR43V, TYR62V |
N-W |
-6.9774 |
-28.7009 |
9 |
ARG6W, ARG984N, ASP38W, ASP836N, ASP987N, GLU986N, HIS1065N, HIS39W, LYS61W |
N-X |
-34.0295 |
-22.5134 |
21 |
ARG107N, ARG47X, ARG63X, ASP176N, ASP26X, ASP836N, ASP885N, GLU103N, GLU37X, GLU862N, GLU864N, GLU883N, GLU91N, HIS46X, LYS36X, LYS51X, LYS951N, MET49X, PRO890N, THR54X, VAL943N |
O-T |
-2.8034 |
0.0 |
2 |
ASP191O, GLN22T |
O-V |
-12.7366 |
-22.7863 |
16 |
ARG141O, ARG42V, ARG6V, ASP137O, ASP16V, ASP19V, GLU116O, GLU234O, GLU57V, GLY15V, LEU144O, LYS12V, LYS147O, LYS170O, LYS17V, MET68O |
O-W |
-7.0274 |
17.8491 |
26 |
ARG106W, ARG250O, ARG34O, ARG6W, ARG88O, ASP262O, ASP264O, GLU107W, GLU11W, GLU167O, GLU266O, GLU37W, GLU39O, GLU4O, GLU99W, HIS168O, HIS39W, HIS68W, HIS6O, HIS96W, LYS101W, LYS166O, LYS17W, LYS255O, LYS83W, LYS91W |
O-X |
-31.6829 |
-66.5746 |
15 |
ALA62X, ARG53X, ARG56X, ARG63X, ASP46O, ASP59O, GLU167O, GLU49O, GLU60O, GLU61X, HIS168O, HIS64O, LYS170O, PHE60X, VAL48O |
P-S |
-49.8244 |
-77.9603 |
18 |
ARG152S, ARG41P, ARG67P, ARG81S, ARG84S, ASP51S, ASP89S, ASP9P, GLU18P, GLU22P, GLU36S, GLU7S, GLU8P, LEU25P, LYS57P, LYS6S, PHE3S, PRO106S |
Q-R |
0.0 |
-6.6541 |
3 |
ASP130R, LYS164Q, LYS62R |
R-S |
0.0 |
1.4408 |
2 |
ARG125R, ARG61S |
W-X |
0.0 |
10.9195 |
2 |
ARG63X, ARG6W |
|