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. |
1-2 |
-122.7906 |
-135.1412 |
-703.76 |
-961.6917 |
222 |
48 |
16 |
28616 |
11 |
77 |
80 |
|
1-3 |
-48.1409 |
-43.2972 |
-346.381 |
-437.8191 |
152 |
29 |
6 |
16688 |
7 |
43 |
52 |
|
1-4 |
0.0 |
0.0 |
-0.0003 |
-0.0003 |
2 |
0 |
0 |
1 |
0 |
0 |
1 |
|
1-7 |
0.0 |
2.3449 |
-20.0695 |
-17.7246 |
26 |
0 |
1 |
1204 |
0 |
3 |
17 |
|
2-3 |
-12.2866 |
59.3731 |
-142.642 |
-95.5555 |
58 |
14 |
0 |
5519 |
2 |
16 |
19 |
|
2-7 |
-33.5669 |
-54.8805 |
-151.149 |
-239.5964 |
80 |
21 |
8 |
7397 |
3 |
27 |
19 |
|
2-M |
0.0 |
2.9153 |
-0.0719 |
2.8434 |
9 |
0 |
0 |
47 |
0 |
9 |
13 |
|
3-4 |
-17.7049 |
-12.6243 |
-251.567 |
-281.8962 |
84 |
22 |
5 |
10632 |
2 |
25 |
20 |
|
3-5 |
-18.5128 |
-26.8798 |
-215.024 |
-260.4167 |
103 |
13 |
1 |
9248 |
2 |
31 |
28 |
|
3-9 |
-10.8366 |
-65.5378 |
-156.043 |
-232.4175 |
61 |
6 |
1 |
6177 |
4 |
31 |
26 |
|
3-7 |
-23.1867 |
-28.4026 |
-221.243 |
-272.8323 |
96 |
24 |
4 |
9568 |
9 |
53 |
60 |
|
3-J |
0.0 |
2.1316 |
-6.2278 |
-4.0962 |
11 |
0 |
0 |
350 |
0 |
9 |
8 |
|
3-M |
0.0 |
-4.1856 |
-2.29 |
-6.4756 |
14 |
0 |
0 |
284 |
0 |
8 |
11 |
|
3-U |
0.0 |
-0.2323 |
6 |
ARG651U, GLU4853, GLU4953, GLU4983, GLU646U, LYS330U |
4-5 |
-182.0399 |
-56.3104 |
-664.276 |
-902.6263 |
229 |
93 |
6 |
29462 |
14 |
93 |
81 |
|
4-6 |
-97.5996 |
-46.7697 |
-269.383 |
-413.7523 |
104 |
30 |
4 |
12037 |
5 |
17 |
29 |
|
4-9 |
-32.071 |
-47.1556 |
-230.729 |
-309.9556 |
97 |
11 |
4 |
9834 |
2 |
41 |
21 |
|
4-7 |
-16.1353 |
-45.5936 |
-65.7847 |
-127.5136 |
26 |
4 |
1 |
2667 |
6 |
10 |
13 |
|
5-6 |
-19.6274 |
-7.7841 |
-65.6746 |
-93.0862 |
45 |
6 |
1 |
2895 |
0 |
11 |
1 |
|
5-9 |
-9.1868 |
-55.7485 |
-185.046 |
-249.9813 |
57 |
7 |
6 |
6638 |
3 |
12 |
12 |
|
6-9 |
-44.9542 |
-11.2593 |
-329.22 |
-385.4335 |
121 |
41 |
14 |
14389 |
2 |
34 |
41 |
|
6-J |
0.0 |
-12.0883 |
-76.2477 |
-88.336 |
47 |
16 |
0 |
4476 |
0 |
23 |
16 |
|
9-7 |
0.0 |
21.7471 |
-93.8681 |
-72.121 |
62 |
2 |
3 |
4834 |
0 |
23 |
24 |
|
9-J |
0.0 |
-5.7129 |
-0.0643 |
-5.7772 |
2 |
0 |
0 |
10 |
0 |
4 |
2 |
|
7-M |
-2.9084 |
3.3333 |
-44.3603 |
-43.9354 |
34 |
0 |
1 |
1612 |
0 |
10 |
10 |
|
7-N |
0.0 |
5.1069 |
2 |
ASP84N, GLU1137 |
A-B |
-108.7904 |
-135.0128 |
-704.958 |
-948.7612 |
222 |
45 |
16 |
28483 |
11 |
78 |
79 |
|
A-C |
-50.0234 |
-45.0337 |
-345.353 |
-440.4101 |
152 |
29 |
6 |
16712 |
7 |
43 |
53 |
|
A-D |
0.0 |
0.0 |
-0.0003 |
-0.0003 |
2 |
0 |
0 |
1 |
0 |
0 |
1 |
|
A-H |
0.0 |
2.2623 |
-19.9688 |
-17.7065 |
27 |
0 |
1 |
1206 |
0 |
3 |
17 |
|
A-U |
-17.7092 |
-0.8135 |
5 |
ARG316U, ARG429A, GLU314U, GLU427A, LYS428A |
A-X |
0.0 |
-11.3522 |
6 |
ARG169X, ARG273A, ASP308A, GLU17X, GLU304A, GLU305A |
A-Y |
0.0 |
-6.0942 |
2 |
ARG152Y, GLU305A |
B-C |
-12.1397 |
61.6125 |
-151.748 |
-102.2752 |
59 |
15 |
0 |
5523 |
2 |
16 |
18 |
|
B-H |
-32.2267 |
-54.184 |
-152.837 |
-239.2476 |
80 |
21 |
8 |
7435 |
3 |
27 |
19 |
|
C-D |
-22.0489 |
-11.0707 |
-256.061 |
-289.1806 |
85 |
20 |
5 |
10648 |
2 |
25 |
20 |
|
C-E |
-16.5926 |
-26.2737 |
-217.684 |
-260.5504 |
102 |
10 |
1 |
9193 |
2 |
31 |
28 |
|
C-G |
-11.0935 |
-68.1 |
-153.09 |
-232.2834 |
60 |
8 |
1 |
6192 |
5 |
31 |
26 |
|
C-H |
-14.976 |
-29.3635 |
-214.369 |
-258.7086 |
96 |
22 |
4 |
9506 |
9 |
53 |
60 |
|
D-E |
-165.5028 |
-51.1179 |
-654.013 |
-870.6337 |
229 |
91 |
6 |
29410 |
14 |
93 |
82 |
|
D-F |
-103.3354 |
-48.0117 |
-279.537 |
-430.8841 |
104 |
38 |
4 |
12126 |
5 |
17 |
29 |
|
D-G |
-36.8472 |
-78.8822 |
-229.444 |
-345.1734 |
96 |
12 |
4 |
9892 |
2 |
41 |
21 |
|
D-H |
-15.2625 |
-45.4354 |
-65.2145 |
-125.9124 |
26 |
4 |
1 |
2659 |
6 |
10 |
13 |
|
D-T |
0.0 |
13.7274 |
5 |
ASP202D, ASP5T, ASP6T, GLU44T, LYS288D |
D-U |
-3.9476 |
-26.1735 |
5 |
ARG724U, ARG746U, GLU298D, GLU730U, LYS191D |
D-Z |
-7.079 |
2.3641 |
4 |
ALA129Z, LYS250D, LYS27Z, TYR257D |
E-F |
-20.3692 |
-7.7035 |
-64.5022 |
-92.5749 |
45 |
6 |
1 |
2904 |
0 |
11 |
1 |
|
E-G |
-14.4782 |
-56.767 |
-182.158 |
-253.4032 |
57 |
5 |
6 |
6629 |
4 |
12 |
12 |
|
E-T |
0.0 |
-1.9108 |
2 |
ASP114T, LYS81E |
E-Z |
0.0 |
-8.3343 |
3 |
ARG2E, ASP84E, GLU113Z |
F-G |
-47.7309 |
-12.2247 |
-327.646 |
-387.6016 |
120 |
41 |
14 |
14398 |
2 |
34 |
40 |
|
G-H |
0.0 |
21.4829 |
-95.5827 |
-74.0998 |
62 |
2 |
3 |
4870 |
0 |
23 |
24 |
|
J-K |
-105.6386 |
-136.0847 |
-706.353 |
-948.0763 |
222 |
47 |
16 |
28559 |
11 |
79 |
78 |
|
J-L |
-51.1202 |
-41.4323 |
-352.899 |
-445.4514 |
152 |
30 |
6 |
16699 |
6 |
43 |
53 |
|
J-M |
0.0 |
0.0 |
-0.0003 |
-0.0003 |
2 |
0 |
0 |
1 |
0 |
0 |
1 |
|
J-Q |
0.0 |
2.347 |
5 |
ASP383J, HIS350J, HIS90Q, LYS373J, LYS78Q |
K-L |
-16.3764 |
60.2397 |
-152.8 |
-108.9367 |
59 |
20 |
0 |
5551 |
2 |
16 |
19 |
|
K-Q |
-34.1956 |
-55.3129 |
10 |
ARG114Q, ARG121Q, ASP98K, GLU102K, GLU110K, GLY109K, HIS90Q, LYS107Q, PRO74K, TYR70K |
L-M |
-17.9313 |
-10.6427 |
-255.937 |
-284.511 |
84 |
19 |
5 |
10650 |
2 |
25 |
20 |
|
L-N |
-21.5136 |
-27.4994 |
17 |
ARG133L, ARG163N, ARG189N, ARG270L, ASP132L, ASP29L, GLU129L, GLU136L, GLU169N, GLU250L, GLU251L, GLU273L, HIS428L, LYS185N, LYS190N, THR182N, VAL30L |
L-P |
-5.5847 |
-64.9177 |
12 |
ARG241L, ARG243L, ARG270L, ARG86P, ASP118L, ASP123L, GLU248L, GLU71P, GLU74P, GLU85P, HIS167L, LYS166L |
L-Q |
-22.1212 |
-27.5184 |
23 |
ARG180L, ARG205L, ARG85Q, ARG88Q, ASP165L, ASP71Q, GLU158L, GLU179L, GLU204L, GLU32Q, GLU34Q, GLU65Q, GLY64Q, HIS163L, HIS167L, HIS168L, HIS208L, HIS76Q, HIS90Q, HIS92Q, LYS166L, LYS33Q, LYS78Q |
M-N |
-163.8136 |
-51.7426 |
51 |
ARG116N, ARG147N, ARG171N, ARG189N, ARG193N, ARG249M, ARG367M, ARG371M, ARG409M, ARG73M, ARG87N, ARG91N, ASN112N, ASN306M, ASP120N, ASP140N, ASP360M, ASP408M, ASP51N, ASP62N, GLN379M, GLU139N, GLU154N, GLU18N, GLU333M, GLU341M, GLU352M, GLU67M, GLU71M, GLU73N, GLY54N, GLY85N, HIS336M, HIS63M, HIS72M, LEU174N, LYS103M, LYS148N, LYS177N, LYS190N, LYS329M, LYS339M, LYS369M, LYS68M, PHE113N, PRO145N, SER238M, SER363M, TYR150N, TYR192N, TYR366M |
M-O |
-79.8133 |
-48.6462 |
14 |
ARG143O, ARG167M, ARG83O, ARG84M, ASN120O, ASP408M, GLU161M, GLU49O, HIS58M, HIS63M, ILE59M, LYS87O, THR64M, TYR121O |
M-P |
-33.4441 |
-49.0823 |
19 |
ALA62P, ARG174M, ARG314M, ARG36P, ASP158M, ASP181M, GLN166M, GLN77M, GLU106P, GLU161M, GLU180M, GLU185M, GLU189M, GLY165M, HIS170M, HIS38P, LYS179M, LYS34P, PHE100P |
M-Q |
-15.7878 |
-45.6499 |
9 |
ARG314M, ARG43Q, ARG46Q, ARG75Q, ASP39Q, GLU318M, GLU45Q, HIS315M, HIS76Q |
N-O |
-21.4104 |
-7.7681 |
8 |
ASN119O, ASP140N, GLU139N, LEU152N, LYS86O, LYS87O, THR155N, TYR121O |
N-P |
-16.879 |
-55.7456 |
9 |
ARG160N, ARG163N, ASP128P, ASP135P, GLU161N, GLU71P, GLU92P, THR157N, TYR66P |
O-P |
-47.5771 |
-11.4576 |
21 |
ARG143O, ARG148P, ARG166O, ARG97P, ASN119O, ASP123P, ASP128P, GLN125O, GLU120P, GLU125P, GLU145O, GLU149P, GLU165O, GLU168O, GLY116O, HIS38P, LEU96P, LYS144P, LYS156O, SER114O, TYR136O |
P-Q |
0.0 |
21.4089 |
11 |
ARG167P, ARG43Q, ASP36Q, GLU169P, GLU171P, GLU34Q, GLU45Q, GLU85P, HIS46P, LYS33Q, LYS52P |
S-T |
-121.9863 |
-138.1154 |
52 |
ALA177S, ALA84T, ARG104S, ARG139S, ARG140S, ARG147T, ARG175S, ARG196S, ARG24T, ARG260S, ARG32T, ARG433S, ARG438S, ASN343S, ASP109S, ASP138T, ASP143S, ASP339S, GLN135T, GLU108S, GLU123T, GLU137S, GLU139T, GLU143T, GLU178T, GLU180T, GLU193S, GLU21T, GLU24S, GLU265S, GLU351S, GLU59T, GLU94T, GLU95T, GLY136S, GLY194S, HIS172S, HIS174S, HIS174T, HIS175T, HIS350S, LEU86T, LYS17T, LYS214S, LYS259S, LYS89T, TRP437S, TYR131S, TYR141T, TYR69T, VAL179T, VAL263S |
S-U |
-53.4934 |
-45.4547 |
30 |
ARG156U, ARG162U, ARG196S, ARG200S, ARG205U, ARG360S, ARG397S, ARG440U, ARG46U, ASP201U, ASP383S, CYS353S, GLU158U, GLU193S, GLU204U, GLU351S, GLU361S, GLU385S, GLU395S, GLY206U, HIS115U, HIS183U, HIS208U, HIS350S, LYS185U, LYS355S, LYS373S, LYS78U, PHE202U, SER398S |
S-Z |
0.0 |
2.3404 |
5 |
ASP383S, HIS350S, HIS90Z, LYS373S, LYS78Z |
T-U |
-17.6252 |
59.6953 |
10 |
ARG205U, ARG440U, ASP201U, ASP215U, GLU192U, GLU198U, GLU47T, GLU59T, PHE66T, THR56T |
T-Z |
-32.8752 |
-54.2529 |
10 |
ARG114Z, ARG121Z, ASP98T, GLU102T, GLU110T, GLY109T, HIS90Z, LYS107Z, PRO74T, TYR70T |
U-V |
-18.4446 |
-11.5871 |
10 |
ARG161U, ASP118U, ASP132U, GLU136U, GLU322V, GLU333V, HIS115U, HIS336V, LYS329V, MET321V |
U-W |
-18.7508 |
-25.8247 |
17 |
ARG133U, ARG163W, ARG189W, ARG270U, ASP132U, ASP29U, GLU129U, GLU136U, GLU169W, GLU250U, GLU251U, GLU273U, GLY187W, HIS428U, LYS185W, LYS190W, VAL30U |
U-Y |
-11.2833 |
-79.7742 |
13 |
ARG178U, ARG241U, ARG243U, ARG270U, ARG86Y, ASP118U, ASP123U, GLU248U, GLU71Y, GLU74Y, GLU85Y, HIS167U, LYS166U |
U-Z |
-16.0028 |
-26.7799 |
23 |
ARG180U, ARG205U, ARG85Z, ARG88Z, ASP165U, ASP71Z, GLU158U, GLU179U, GLU204U, GLU32Z, GLU34Z, GLU65Z, GLY64Z, HIS163U, HIS167U, HIS168U, HIS208U, HIS76Z, HIS90Z, HIS92Z, LYS166U, LYS33Z, LYS78Z |
V-W |
-142.2902 |
-50.1238 |
50 |
ARG116W, ARG147W, ARG171W, ARG189W, ARG193W, ARG249V, ARG367V, ARG371V, ARG409V, ARG73V, ARG87W, ARG91W, ASN112W, ASN306V, ASP120W, ASP140W, ASP360V, ASP51W, ASP62W, GLN379V, GLU139W, GLU154W, GLU18W, GLU333V, GLU341V, GLU352V, GLU67V, GLU71V, GLU73W, GLY54W, GLY85W, HIS336V, HIS63V, HIS72V, LEU174W, LEU378V, LYS103V, LYS148W, LYS177W, LYS190W, LYS329V, LYS339V, LYS369V, LYS68V, PRO145W, SER238V, SER363V, TYR150W, TYR192W, TYR366V |
V-X |
-85.6472 |
-47.4787 |
14 |
ARG143X, ARG167V, ARG83X, ARG84V, ASN120X, ASP408V, GLU161V, GLU49X, HIS58V, HIS63V, ILE59V, LYS87X, THR64V, TYR121X |
V-Y |
-32.3653 |
-49.2362 |
19 |
ALA62Y, ARG174V, ARG314V, ARG36Y, ASP158V, ASP181V, GLN166V, GLN77V, GLU106Y, GLU161V, GLU180V, GLU185V, GLU189V, GLY165V, HIS170V, HIS38Y, LYS179V, LYS34Y, PHE100Y |
V-Z |
-16.216 |
-46.849 |
9 |
ARG314V, ARG43Z, ARG46Z, ARG75Z, ASP39Z, GLU318V, GLU45Z, HIS315V, HIS76Z |
W-X |
-21.9894 |
-7.8505 |
8 |
ASN119X, ASP140W, GLU139W, LEU152W, LYS86X, LYS87X, THR155W, TYR121X |
W-Y |
-16.2374 |
-56.4382 |
9 |
ARG160W, ARG163W, ASP128Y, ASP135Y, GLU161W, GLU71Y, GLU92Y, THR157W, TYR66Y |
X-Y |
-46.8874 |
-12.4886 |
21 |
ARG143X, ARG148Y, ARG166X, ARG97Y, ASP123Y, ASP128Y, GLN125X, GLN153X, GLU120Y, GLU125Y, GLU145X, GLU149Y, GLU165X, GLU168X, GLY116X, HIS38Y, LEU96Y, LYS144Y, LYS156X, SER114X, TYR136X |
Y-Z |
0.0 |
21.5569 |
11 |
ARG167Y, ARG43Z, ASP36Z, GLU169Y, GLU171Y, GLU34Z, GLU45Z, GLU85Y, HIS46Y, LYS33Z, LYS52Y |
|