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 |
-149.378 |
-178.6164 |
-1022.45 |
-1350.4443 |
436 |
81 |
18 |
44866 |
14 |
202 |
182 |
|
A-C |
0.0 |
-0.9532 |
-2.0452 |
-2.9984 |
17 |
0 |
0 |
257 |
0 |
4 |
5 |
|
A-K |
0.0 |
-1.7791 |
-2.3039 |
-4.083 |
18 |
0 |
0 |
286 |
0 |
4 |
6 |
|
A-L |
-144.4187 |
-178.2416 |
-424.196 |
-746.8563 |
260 |
20 |
3 |
19768 |
5 |
127 |
108 |
|
A-Y |
-47.0882 |
16.3674 |
11 |
ALA135Y, ARG134Y, ARG343A, ARG54A, ASN147Y, ASP42A, GLN52A, GLY146Y, SER145Y, TYR137Y, TYR53A |
A-Z |
-31.8866 |
-38.8266 |
19 |
ALA135Z, ARG131Z, ARG134Z, ARG99Z, ASN380A, ASN95Z, ASP364A, ASP378A, GLU121Z, GLU354A, GLU360A, GLU379A, GLU55Z, HIS361A, LYS117Z, LYS120Z, LYS133Z, LYS61Z, TYR124Z |
A-a |
-40.0968 |
-31.7821 |
14 |
ALA357A, ARG134a, ARG376A, ASN380A, ASP367A, ASP368A, ASP378A, ASP383A, GLU121a, GLU379A, HIS94a, LYS111a, LYS117a, LYS125a |
A-j |
-12.9852 |
8.5038 |
4 |
ARG140j, ARG54A, ASP339A, TYR53A |
B-C |
-139.8635 |
-177.8446 |
-976.725 |
-1294.4331 |
432 |
56 |
16 |
43343 |
12 |
197 |
183 |
|
B-E |
0.0 |
-1.051 |
-1.95 |
-3.0009 |
17 |
0 |
0 |
249 |
0 |
4 |
4 |
|
B-L |
0.0 |
-0.5949 |
0.0 |
-0.5949 |
3 |
0 |
0 |
0 |
0 |
0 |
0 |
|
B-Y |
-13.2452 |
8.4743 |
4 |
ARG140Y, ARG54B, ASP339B, TYR53B |
B-Z |
-52.5927 |
16.0229 |
12 |
ALA135Z, ARG134Z, ARG343B, ARG54B, ASN147Z, ASP339B, ASP42B, GLN52B, GLY146Z, SER145Z, TYR137Z, TYR53B |
B-a |
-33.3911 |
-38.8036 |
19 |
ALA135a, ARG131a, ARG134a, ARG99a, ASN380B, ASN95a, ASP364B, ASP378B, GLU121a, GLU354B, GLU360B, GLU379B, GLU55a, HIS361B, LYS117a, LYS120a, LYS133a, LYS61a, TYR124a |
B-b |
-35.6687 |
-30.903 |
14 |
ALA357B, ARG134b, ARG376B, ASN380B, ASP367B, ASP368B, ASP378B, ASP383B, GLU121b, GLU379B, HIS94b, LYS111b, LYS117b, LYS125b |
C-D |
0.0 |
-1.261 |
-1.7322 |
-2.9932 |
17 |
0 |
0 |
239 |
0 |
4 |
7 |
|
C-E |
-138.3777 |
-178.3861 |
-982.73 |
-1299.4939 |
434 |
55 |
17 |
43947 |
12 |
198 |
181 |
|
C-Z |
-12.2998 |
8.6275 |
4 |
ARG140Z, ARG54C, ASP339C, TYR53C |
C-a |
-50.1027 |
16.0933 |
12 |
ALA135a, ARG134a, ARG343C, ARG54C, ASN147a, ASP339C, ASP42C, GLN52C, GLY146a, SER145a, TYR137a, TYR53C |
C-b |
-34.6202 |
-38.4013 |
19 |
ALA135b, ARG131b, ARG134b, ARG99b, ASN380C, ASN95b, ASP364C, ASP378C, GLU121b, GLU354C, GLU360C, GLU379C, GLU55b, HIS361C, LYS117b, LYS120b, LYS133b, LYS61b, TYR124b |
C-e |
-44.0156 |
-33.7232 |
15 |
ALA357C, ARG134e, ARG376C, ASN380C, ASP367C, ASP368C, ASP378C, ASP383C, GLU121e, GLU379C, HIS94e, LYS111e, LYS117e, LYS125e, THR377C |
D-E |
-132.2267 |
-176.4542 |
-983.156 |
-1291.8369 |
434 |
55 |
16 |
43776 |
13 |
198 |
181 |
|
D-F |
-156.9325 |
-174.7348 |
-1003.35 |
-1335.0174 |
434 |
62 |
17 |
43979 |
13 |
195 |
178 |
|
D-G |
0.0 |
-1.0708 |
-2.0853 |
-3.156 |
17 |
0 |
0 |
259 |
0 |
4 |
7 |
|
D-b |
-12.2569 |
8.6719 |
4 |
ARG140b, ARG54D, ASP339D, TYR53D |
D-c |
-36.6675 |
-47.6538 |
19 |
ALA135c, ARG131c, ARG134c, ARG99c, ASN380D, ASN95c, ASP364D, ASP378D, GLU121c, GLU354D, GLU360D, GLU379D, GLU55c, HIS361D, LYS117c, LYS120c, LYS133c, LYS61c, TYR124c |
D-d |
-49.6423 |
-34.3109 |
15 |
ALA357D, ARG134d, ARG376D, ASN380D, ASP367D, ASP368D, ASP378D, ASP383D, GLU121d, GLU379D, HIS94d, LYS111d, LYS117d, LYS125d, THR377D |
D-e |
-50.2813 |
16.7302 |
12 |
ALA135e, ARG134e, ARG343D, ARG54D, ASN147e, ASP339D, ASP42D, GLN52D, GLY146e, SER145e, TYR137e, TYR53D |
E-F |
0.0 |
-1.0175 |
-1.9398 |
-2.9573 |
17 |
0 |
0 |
255 |
0 |
4 |
7 |
|
E-a |
-12.9449 |
8.4965 |
4 |
ARG140a, ARG54E, ASP339E, TYR53E |
E-b |
-48.6393 |
16.3084 |
12 |
ALA135b, ARG134b, ARG343E, ARG54E, ASN147b, ASP339E, ASP42E, GLN52E, GLY146b, SER145b, TYR137b, TYR53E |
E-c |
-53.4375 |
-35.7441 |
15 |
ALA357E, ARG134c, ARG376E, ASN380E, ASP367E, ASP368E, ASP378E, ASP383E, GLU121c, GLU379E, HIS94c, LYS111c, LYS117c, LYS125c, SER381E |
E-e |
-30.7087 |
-40.5004 |
19 |
ALA135e, ARG131e, ARG134e, ARG99e, ASN380E, ASN95e, ASP364E, ASP378E, GLU121e, GLU354E, GLU360E, GLU379E, GLU55e, HIS361E, LYS117e, LYS120e, LYS133e, LYS61e, TYR124e |
F-G |
-153.7703 |
-175.0903 |
-1003.56 |
-1332.4207 |
432 |
61 |
17 |
44058 |
13 |
198 |
181 |
|
F-H |
0.0 |
-1.1218 |
-2.0464 |
-3.1682 |
17 |
0 |
0 |
256 |
0 |
4 |
6 |
|
F-c |
-53.9195 |
15.8216 |
12 |
ALA135c, ARG134c, ARG343F, ARG54F, ASN147c, ASP339F, ASP42F, GLN52F, GLY146c, SER145c, TYR137c, TYR53F |
F-d |
-36.2769 |
-40.9385 |
19 |
ALA135d, ARG131d, ARG134d, ARG99d, ASN380F, ASN95d, ASP364F, ASP378F, GLU121d, GLU354F, GLU360F, GLU379F, GLU55d, HIS361F, LYS117d, LYS120d, LYS133d, LYS61d, TYR124d |
F-e |
-5.3649 |
8.3894 |
3 |
ARG140e, ARG54F, ASP339F |
F-f |
-40.9491 |
-33.9083 |
14 |
ALA357F, ARG134f, ARG376F, ASN380F, ASP367F, ASP368F, ASP378F, ASP383F, GLU121f, GLU379F, HIS94f, LYS111f, LYS117f, LYS125f |
G-H |
-142.7997 |
-179.1106 |
-985.989 |
-1307.8993 |
431 |
60 |
16 |
43631 |
13 |
198 |
181 |
|
G-I |
0.0 |
-1.2178 |
-1.9183 |
-3.1361 |
17 |
0 |
0 |
252 |
0 |
4 |
6 |
|
G-c |
-6.1407 |
8.0645 |
3 |
ARG140c, ARG54G, ASP339G |
G-d |
-55.2781 |
15.5891 |
12 |
ALA135d, ARG134d, ARG343G, ARG54G, ASN147d, ASP339G, ASP42G, GLN52G, GLY146d, SER145d, TYR137d, TYR53G |
G-f |
-25.6071 |
-38.8016 |
19 |
ALA135f, ARG131f, ARG134f, ARG99f, ASN380G, ASN95f, ASP364G, ASP378G, GLU121f, GLU354G, GLU360G, GLU379G, GLU55f, HIS361G, LYS117f, LYS120f, LYS133f, LYS61f, TYR124f |
G-g |
-48.9747 |
-33.962 |
15 |
ALA357G, ARG134g, ARG376G, ASN380G, ASP367G, ASP368G, ASP378G, ASP383G, GLU121g, GLU379G, HIS94g, LYS111g, LYS117g, LYS125g, THR377G |
H-I |
-139.8978 |
-180.3693 |
-989.946 |
-1310.2131 |
434 |
57 |
16 |
43668 |
12 |
199 |
182 |
|
H-J |
0.0 |
-1.1132 |
-1.9496 |
-3.0628 |
15 |
0 |
0 |
249 |
0 |
4 |
5 |
|
H-d |
-12.9218 |
8.3584 |
4 |
ARG140d, ARG54H, ASP339H, TYR53H |
H-f |
-53.0718 |
16.1017 |
12 |
ALA135f, ARG134f, ARG343H, ARG54H, ASN147f, ASP339H, ASP42H, GLN52H, GLY146f, SER145f, TYR137f, TYR53H |
H-g |
-21.1083 |
-40.6569 |
18 |
ALA135g, ARG131g, ARG134g, ARG99g, ASN380H, ASN95g, ASP364H, ASP378H, GLU121g, GLU354H, GLU360H, GLU379H, GLU55g, HIS361H, LYS117g, LYS120g, LYS133g, LYS61g |
H-i |
-47.4583 |
-34.0207 |
15 |
ALA357H, ARG134i, ARG376H, ASN380H, ASP367H, ASP368H, ASP378H, ASP383H, GLU121i, GLU379H, HIS94i, LYS111i, LYS117i, LYS125i, THR377H |
I-J |
-149.9981 |
-180.5201 |
-1023.47 |
-1353.9882 |
435 |
68 |
18 |
44474 |
13 |
200 |
182 |
|
I-K |
0.0 |
-1.2808 |
-2.1209 |
-3.4017 |
18 |
0 |
0 |
262 |
0 |
4 |
7 |
|
I-f |
-11.9318 |
8.7276 |
4 |
ARG140f, ARG54I, ASP339I, TYR53I |
I-g |
-49.5857 |
16.8923 |
12 |
ALA135g, ARG134g, ARG343I, ARG54I, ASN147g, ASP42I, GLN52I, GLN56I, GLY146g, SER145g, TYR137g, TYR53I |
I-h |
-41.0175 |
-31.0785 |
15 |
ALA357I, ARG134h, ARG376I, ASN380I, ASP367I, ASP368I, ASP378I, ASP383I, GLU121h, GLU379I, HIS94h, LYS111h, LYS117h, LYS125h, THR377I |
I-i |
-21.3468 |
-41.2891 |
18 |
ALA135i, ARG131i, ARG134i, ARG99i, ASN380I, ASN95i, ASP364I, ASP378I, GLU121i, GLU354I, GLU360I, GLU379I, GLU55i, HIS361I, LYS117i, LYS120i, LYS133i, LYS61i |
J-K |
-144.9871 |
-173.2471 |
-994.485 |
-1312.7191 |
437 |
63 |
17 |
44426 |
14 |
197 |
182 |
|
J-L |
0.0 |
-2.1372 |
-0.48 |
-2.6171 |
8 |
0 |
0 |
67 |
0 |
2 |
5 |
|
J-g |
-13.4846 |
8.3801 |
4 |
ARG140g, ARG54J, ASP339J, TYR53J |
J-h |
-23.1602 |
-37.0693 |
18 |
ALA135h, ARG131h, ARG134h, ARG99h, ASN380J, ASN95h, ASP364J, ASP378J, GLU121h, GLU354J, GLU360J, GLU379J, GLU55h, HIS361J, LYS117h, LYS120h, LYS133h, LYS61h |
J-i |
-50.4586 |
15.8894 |
12 |
ALA135i, ARG134i, ARG343J, ARG54J, ASN147i, ASP42J, GLN52J, GLN56J, GLY146i, SER145i, TYR137i, TYR53J |
J-j |
-30.3343 |
-31.2613 |
14 |
ALA357J, ARG134j, ARG376J, ASN380J, ASP367J, ASP368J, ASP378J, ASP383J, GLU121j, GLU379J, HIS94j, LYS111j, LYS117j, LYS125j |
K-L |
-147.7465 |
-174.9362 |
-196.353 |
-519.0357 |
188 |
18 |
2 |
10092 |
0 |
85 |
83 |
|
K-Y |
-30.1022 |
-30.8185 |
14 |
ALA357K, ARG134Y, ARG376K, ASN380K, ASP367K, ASP368K, ASP378K, ASP383K, GLU121Y, GLU379K, HIS94Y, LYS111Y, LYS117Y, LYS125Y |
K-h |
-40.0005 |
15.891 |
9 |
ALA135h, ARG134h, ARG343K, ARG54K, ASN147h, ASP42K, GLN52K, GLY146h, SER145h |
K-i |
-16.0606 |
8.241 |
6 |
ARG140i, ARG54K, ASP325K, ASP339K, SER145i, TYR53K |
K-j |
-16.2292 |
-38.0097 |
16 |
ALA135j, ARG131j, ARG134j, ARG99j, ASP364K, ASP378K, GLU121j, GLU354K, GLU360K, GLU379K, GLU55j, HIS361K, LYS117j, LYS120j, LYS133j, LYS61j |
L-Y |
-20.2914 |
-38.436 |
18 |
ALA135Y, ARG131Y, ARG134Y, ARG99Y, ASN380L, ASN95Y, ASP364L, ASP378L, GLU121Y, GLU354L, GLU360L, GLU379L, GLU55Y, HIS361L, LYS117Y, LYS120Y, LYS133Y, LYS61Y |
L-Z |
-39.6325 |
-29.5955 |
15 |
ALA357L, ARG134Z, ARG376L, ASN380L, ASP367L, ASP368L, ASP378L, ASP383L, GLU121Z, GLU379L, HIS94Z, LYS111Z, LYS117Z, LYS125Z, THR377L |
L-h |
-12.8961 |
8.5434 |
4 |
ARG140h, ARG54L, ASP339L, TYR53L |
L-j |
-40.1765 |
15.9609 |
9 |
ALA135j, ARG134j, ARG343L, ARG54L, ASN147j, ASP42L, GLN52L, GLY146j, SER145j |
Y-Z |
-8.6164 |
44.8663 |
13 |
ARG85Z, ARG99Y, ASP103Y, ASP31Z, ASP44Y, ASP48Y, ASP59Y, GLU107Y, GLU55Y, HIS94Z, LYS111Z, LYS120Y, TYR118Z |
Y-j |
0.0 |
45.2112 |
11 |
ARG85Y, ARG99j, ASP103j, ASP31Y, ASP44j, ASP48j, ASP59j, GLU107j, GLU55j, HIS94Y, LYS111Y |
Z-a |
-6.5451 |
47.0443 |
13 |
ARG85a, ARG99Z, ASP103Z, ASP31a, ASP44Z, ASP48Z, ASP59Z, GLU107Z, GLU55Z, HIS94a, LYS111a, LYS120Z, TYR118a |
a-b |
-6.9885 |
45.562 |
13 |
ARG85b, ARG99a, ASP103a, ASP31b, ASP44a, ASP48a, ASP59a, GLU107a, GLU55a, HIS94b, LYS111b, LYS120a, TYR118b |
b-e |
-6.9699 |
45.0344 |
13 |
ARG85e, ARG99b, ASP103b, ASP31e, ASP44b, ASP48b, ASP59b, GLU107b, GLU55b, HIS94e, LYS111e, LYS120b, TYR118e |
c-d |
-5.5686 |
46.5696 |
13 |
ARG85d, ARG99c, ASP103c, ASP31d, ASP44c, ASP48c, ASP59c, GLU107c, GLU55c, HIS94d, LYS111d, LYS120c, TYR118d |
c-e |
0.0 |
47.6789 |
11 |
ARG85c, ARG99e, ASP103e, ASP31c, ASP44e, ASP48e, ASP59e, GLU107e, GLU55e, HIS94c, LYS111c |
d-f |
-6.1459 |
48.5861 |
13 |
ARG85f, ARG99d, ASP103d, ASP31f, ASP44d, ASP48d, ASP59d, GLU107d, GLU55d, HIS94f, LYS111f, LYS120d, TYR118f |
f-g |
-6.8255 |
48.7317 |
13 |
ARG85g, ARG99f, ASP103f, ASP31g, ASP44f, ASP48f, ASP59f, GLU107f, GLU55f, HIS94g, LYS111g, LYS120f, TYR118g |
g-i |
-7.2028 |
44.1984 |
13 |
ARG85i, ARG99g, ASP103g, ASP31i, ASP44g, ASP48g, ASP59g, GLU107g, GLU55g, HIS94i, LYS111i, LYS120g, TYR118i |
h-i |
0.0 |
45.2092 |
11 |
ARG85h, ARG99i, ASP103i, ASP31h, ASP44i, ASP48i, ASP59i, GLU107i, GLU55i, HIS94h, LYS111h |
h-j |
-6.6915 |
48.8445 |
13 |
ARG85j, ARG99h, ASP103h, ASP31j, ASP44h, ASP48h, ASP59h, GLU107h, GLU55h, HIS94j, LYS111j, LYS120h, TYR118j |
|