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 |
0.0 |
0.0 |
-0.0144 |
-0.0144 |
2 |
0 |
0 |
11 |
0 |
0 |
0 |
|
A-C |
0.0 |
0.0 |
-0.0081 |
-0.0081 |
2 |
0 |
0 |
10 |
0 |
1 |
0 |
|
A-D |
-78.3211 |
-26.5548 |
-343.049 |
-447.9249 |
190 |
32 |
10 |
16194 |
3 |
39 |
39 |
|
A-E |
-75.192 |
-5.1317 |
-409.761 |
-490.0847 |
182 |
21 |
7 |
18087 |
2 |
59 |
62 |
|
A-G |
0.0 |
-23.109 |
-72.5121 |
-95.6211 |
66 |
2 |
4 |
3894 |
2 |
20 |
9 |
|
A-H |
0.0 |
7.043 |
-32.8878 |
-25.8448 |
19 |
0 |
1 |
1093 |
0 |
1 |
3 |
|
B-E |
-50.2326 |
-25.172 |
-355.389 |
-430.7937 |
199 |
16 |
8 |
16198 |
5 |
40 |
44 |
|
B-F |
-90.5288 |
-42.154 |
-617.905 |
-750.5878 |
261 |
60 |
15 |
26814 |
4 |
74 |
72 |
|
B-G |
0.0 |
-9.3018 |
-19.1349 |
-28.4367 |
34 |
0 |
1 |
1433 |
0 |
10 |
4 |
|
B-H |
0.0 |
-2.0696 |
-0.0552 |
-2.1248 |
4 |
0 |
0 |
27 |
0 |
4 |
0 |
|
B-J |
0.0 |
9.9924 |
-2.7267 |
7.2657 |
12 |
0 |
0 |
217 |
0 |
16 |
6 |
|
B-N |
0.0 |
0.0 |
-0.2633 |
-0.2633 |
6 |
0 |
0 |
48 |
0 |
8 |
6 |
|
C-D |
-56.8141 |
-3.7452 |
-559.536 |
-620.0953 |
257 |
31 |
11 |
25188 |
0 |
75 |
80 |
|
C-F |
-59.6365 |
-12.6653 |
-436.82 |
-509.1218 |
234 |
21 |
11 |
20094 |
4 |
44 |
57 |
|
C-G |
-8.4411 |
-12.4379 |
-28.1261 |
-49.005 |
42 |
1 |
0 |
1309 |
1 |
9 |
8 |
|
C-H |
0.0 |
-6.4748 |
-53.4381 |
-59.9129 |
46 |
2 |
5 |
2492 |
0 |
16 |
12 |
|
D-G |
0.0 |
-2.1691 |
-18.1233 |
-20.2924 |
24 |
0 |
0 |
1111 |
0 |
9 |
6 |
|
D-H |
-5.9655 |
4.2966 |
-62.6626 |
-64.3316 |
33 |
4 |
6 |
3139 |
2 |
6 |
9 |
|
E-F |
0.0 |
0.0 |
-0.0067 |
-0.0067 |
2 |
0 |
0 |
5 |
0 |
0 |
0 |
|
E-G |
-2.9081 |
-48.0411 |
-94.7986 |
-145.7479 |
69 |
9 |
1 |
5095 |
3 |
15 |
6 |
|
E-U |
0.0 |
-6.8504 |
10 |
ASP380E, ASP380U, ASP436E, ASP436U, GLU381E, GLU381U, GLU384E, GLU384U, HIS437E, HIS437U |
E-W |
0.0 |
-6.5541 |
9 |
ARG32W, ARG42W, ASP36W, GLU169E, GLU454E, HIS170E, LYS201W, LYS457E, LYS458E |
E-X |
0.0 |
-15.3469 |
2 |
GLU408E, HIS5X |
F-G |
-4.3147 |
0.0 |
-81.2473 |
-85.562 |
83 |
2 |
2 |
4328 |
0 |
16 |
8 |
|
F-H |
-17.1447 |
-1.9112 |
-94.6153 |
-113.6712 |
46 |
5 |
4 |
4250 |
0 |
16 |
12 |
|
F-J |
0.0 |
0.0 |
-0.1129 |
-0.1129 |
7 |
0 |
0 |
36 |
0 |
12 |
9 |
|
F-N |
0.0 |
3.2761 |
-19.6143 |
-16.3382 |
12 |
1 |
0 |
954 |
0 |
4 |
10 |
|
G-H |
-41.9049 |
-74.5434 |
-643.86 |
-760.3083 |
225 |
26 |
30 |
27979 |
8 |
60 |
62 |
|
G-K |
0.0 |
0.0 |
-0.0007 |
-0.0007 |
2 |
0 |
0 |
2 |
0 |
3 |
6 |
|
G-O |
-10.8965 |
-6.4917 |
-71.0115 |
-88.3996 |
54 |
3 |
0 |
2838 |
0 |
10 |
9 |
|
G-P |
0.0 |
0.0 |
-0.0724 |
-0.0724 |
3 |
0 |
0 |
28 |
0 |
8 |
7 |
|
G-U |
-4.5187 |
-5.099 |
13 |
ARG32G, ARG42G, ASP195G, ASP36G, ASP422U, GLU169U, GLU454U, HIS170U, LYS201G, LYS421U, LYS457U, LYS458U, SER171U |
H-O |
0.0 |
0.0 |
-0.0947 |
-0.0947 |
3 |
0 |
0 |
29 |
0 |
8 |
7 |
|
H-U |
0.0 |
-15.4479 |
2 |
GLU408U, HIS5H |
I-J |
0.0 |
0.0 |
-0.0218 |
-0.0218 |
2 |
0 |
0 |
14 |
0 |
0 |
0 |
|
I-K |
0.0 |
0.0 |
-0.0057 |
-0.0057 |
2 |
0 |
0 |
9 |
0 |
1 |
0 |
|
I-L |
-72.7892 |
-32.1349 |
-327.745 |
-432.6691 |
186 |
19 |
10 |
15536 |
2 |
38 |
38 |
|
I-M |
-94.1579 |
-12.0137 |
-440.786 |
-546.9576 |
182 |
36 |
9 |
18991 |
2 |
59 |
63 |
|
I-O |
0.0 |
-24.0528 |
-87.7837 |
-111.8365 |
69 |
15 |
6 |
4565 |
2 |
20 |
9 |
|
I-P |
0.0 |
6.768 |
-21.7092 |
-14.9412 |
17 |
1 |
1 |
879 |
0 |
0 |
3 |
|
J-M |
-58.8185 |
-25.8599 |
-369.344 |
-454.0224 |
197 |
25 |
9 |
16505 |
5 |
41 |
44 |
|
J-N |
-99.9001 |
-36.7736 |
-595.622 |
-732.2957 |
260 |
58 |
15 |
25968 |
4 |
73 |
69 |
|
J-O |
0.0 |
-11.3619 |
-20.3835 |
-31.7453 |
34 |
0 |
1 |
1440 |
2 |
10 |
4 |
|
J-P |
0.0 |
-2.2904 |
-0.138 |
-2.4284 |
4 |
0 |
0 |
47 |
0 |
3 |
0 |
|
K-L |
-54.4613 |
-6.8528 |
-536.918 |
-598.2321 |
257 |
38 |
11 |
25311 |
0 |
77 |
80 |
|
K-N |
-64.8733 |
-12.6903 |
-442.798 |
-520.3615 |
234 |
20 |
11 |
20391 |
5 |
44 |
57 |
|
K-O |
0.0 |
-9.543 |
-18.8061 |
-28.3491 |
39 |
0 |
0 |
1035 |
1 |
9 |
7 |
|
K-P |
-10.5489 |
-10.6096 |
-56.5582 |
-77.7166 |
45 |
3 |
4 |
2595 |
0 |
16 |
12 |
|
L-O |
0.0 |
-2.1641 |
-20.5441 |
-22.7082 |
24 |
0 |
0 |
1188 |
0 |
9 |
6 |
|
L-P |
0.0 |
6.8589 |
-74.5368 |
-67.6779 |
33 |
2 |
6 |
3356 |
2 |
6 |
9 |
|
M-N |
0.0 |
0.0 |
-0.0071 |
-0.0071 |
2 |
0 |
0 |
5 |
0 |
0 |
0 |
|
M-O |
0.0 |
-42.8152 |
-92.3341 |
-135.1493 |
67 |
12 |
1 |
5080 |
3 |
15 |
6 |
|
M-c |
0.0 |
-8.5663 |
10 |
ASP380M, ASP380c, ASP436M, ASP436c, GLU381M, GLU381c, GLU384M, GLU384c, HIS437M, HIS437c |
M-e |
0.0 |
-9.6949 |
8 |
ARG42e, ASP36e, GLU169M, GLU454M, HIS170M, LYS201e, LYS457M, LYS458M |
M-f |
0.0 |
-18.4833 |
2 |
GLU408M, HIS5f |
N-O |
-5.8574 |
0.0 |
-80.4827 |
-86.3401 |
81 |
2 |
3 |
4137 |
0 |
16 |
7 |
|
N-P |
-8.6211 |
-2.924 |
-78.1142 |
-89.6593 |
46 |
3 |
4 |
3935 |
0 |
15 |
12 |
|
N-R |
0.0 |
13.1151 |
5 |
ARG235N, ASP236N, ASP478R, GLU124N, HIS479R |
O-P |
-53.4269 |
-74.1117 |
-629.993 |
-757.5316 |
223 |
31 |
30 |
27752 |
8 |
60 |
61 |
|
O-c |
0.0 |
-3.5923 |
11 |
ARG42O, ASP195O, ASP36O, ASP422c, GLU169c, GLU454c, HIS170c, LYS201O, LYS421c, LYS457c, LYS458c |
P-c |
0.0 |
-17.1392 |
2 |
GLU408c, HIS5P |
Q-T |
-61.2386 |
-25.0673 |
23 |
ALA202Q, ARG210Q, ARG24T, ARG260T, ARG278Q, ASP20T, ASP316T, ASP36Q, ASP81Q, GLN333Q, GLN45T, GLU230Q, GLU273T, GLU280T, GLU84Q, GLY259T, GLY49T, HIS314T, LYS144T, LYS201Q, SER120T, THR304T, VAL34Q |
Q-U |
-81.9665 |
-10.4494 |
32 |
ALA133Q, ARG139Q, ARG164Q, ARG182U, ARG184U, ARG376Q, ARG63U, ARG64U, ARG68Q, ASN210U, ASP14U, ASP289Q, ASP350Q, ASP46Q, ASP60U, GLN49Q, GLU130Q, GLU16U, GLU185U, GLU211U, GLU253U, GLU299Q, GLU51Q, GLU67Q, GLY43Q, GLY61U, ILE348Q, LEU44Q, LEU62U, LEU66Q, THR183U, VAL8U |
Q-W |
0.0 |
-19.9679 |
8 |
ARG7W, ASP141W, ASP336Q, ASP412Q, GLU275W, GLU284Q, LYS30W, LYS33W |
Q-X |
0.0 |
7.7183 |
2 |
ASP113X, ASP412Q |
R-U |
-41.6291 |
-28.8066 |
21 |
ALA202R, ARG24U, ARG260U, ARG278R, ASP116R, ASP20U, ASP27U, ASP316U, ASP36R, ASP81R, GLN45U, GLU117U, GLU230R, GLU273U, GLU280U, GLU84R, GLY49U, HIS314U, LYS144U, LYS201R, VAL34R |
R-V |
-89.329 |
-42.479 |
37 |
ARG139R, ARG164R, ARG182V, ARG184V, ARG283R, ARG376R, ARG63V, ARG64V, ARG68R, ASP14V, ASP289R, ASP302V, ASP305V, ASP350R, ASP46R, ASP60V, ASP69R, GLN49R, GLU130R, GLU185V, GLU211V, GLU253V, GLU299R, GLU51R, GLU67R, GLY379R, GLY43R, GLY61V, ILE348R, LEU66R, MET209V, PRO299V, SER295R, SER347R, THR183V, VAL409V, VAL8V |
R-W |
0.0 |
-8.3663 |
2 |
ASP336R, LYS266W |
R-X |
0.0 |
-2.0399 |
2 |
ASP336R, LYS135X |
S-T |
-64.8845 |
-11.0556 |
35 |
ALA375T, ARG139S, ARG164S, ARG182T, ARG184T, ARG376S, ARG63T, ARG64T, ARG68S, ASP14T, ASP188T, ASP289S, ASP350S, ASP380T, ASP414S, ASP46S, ASP60T, ASP69S, GLN49S, GLU130S, GLU16T, GLU185T, GLU253T, GLU299S, GLU402S, GLU51S, GLU67S, GLY43S, GLY61T, LEU62T, LEU66S, LYS371T, SER347S, THR183T, VAL8T |
S-V |
-70.4278 |
-20.835 |
33 |
ALA202S, ARG171S, ARG24V, ARG260V, ARG271S, ARG278S, ARG342V, ARG358V, ARG365S, ASP116S, ASP316V, ASP338V, ASP345V, ASP36S, ASP81S, GLN44V, GLN45V, GLU117V, GLU230S, GLU273V, GLU274V, GLU280V, GLU84S, GLY259V, GLY363S, GLY48V, GLY49V, HIS314V, LYS144V, LYS201S, LYS211S, SER263V, VAL34S |
S-W |
-6.5518 |
-12.2648 |
6 |
ARG283S, ASP412S, GLU275W, GLU278W, GLU284S, LYS120W |
S-X |
-7.7598 |
-7.1835 |
5 |
ASP415S, GLU402S, HIS104X, LYS123X, SER106X |
T-W |
0.0 |
-2.1955 |
2 |
ASP302T, LYS4W |
T-X |
-6.5376 |
3.1481 |
5 |
ASP372T, GLU120X, GLU381T, HIS109X, LYS123X |
U-W |
-13.3901 |
-55.5263 |
5 |
ARG268W, ASP302U, ASP305U, ASP372U, LYS247W |
V-W |
-5.521 |
0.0 |
4 |
ALA375V, ASN252W, GLU381V, LEU86W |
V-X |
-8.1097 |
-1.8868 |
7 |
ARG129X, ASP301V, ASP372V, GLU132X, GLU369V, ILE131X, LYS135X |
W-X |
-48.7563 |
-86.6607 |
43 |
ALA44X, ALA97X, ARG129X, ARG220W, ARG221W, ARG37W, ARG84W, ARG85X, ARG93X, ASP111X, ASP113X, ASP141W, ASP81X, ASP83W, ASP90X, GLN135W, GLU120X, GLU12X, GLU147W, GLU208W, GLU224W, GLU259W, GLU29X, GLU5W, GLU70X, GLU91X, GLU96X, GLY85W, HIS109X, HIS54W, LEU145W, LEU206W, LYS135X, LYS136X, LYS153W, LYS18W, LYS30W, LYS50W, LYS98X, LYS9W, PRO40X, TYR114X, TYR205W |
Y-b |
-71.6339 |
-27.5998 |
24 |
ALA202Y, ARG210Y, ARG24b, ARG260b, ARG278Y, ASP20b, ASP316b, ASP36Y, ASP81Y, GLN333Y, GLN44b, GLN45b, GLU117b, GLU230Y, GLU273b, GLU280b, GLU84Y, GLY259b, GLY49b, HIS314b, LYS201Y, SER120b, THR304b, VAL34Y |
Y-c |
-72.7851 |
-35.2706 |
36 |
ALA133Y, ARG139Y, ARG164Y, ARG182c, ARG184c, ARG376Y, ARG63c, ARG64c, ARG68Y, ASN210c, ASP14c, ASP188c, ASP289Y, ASP350Y, ASP46Y, ASP60c, ASP69Y, ASP96c, GLN49Y, GLU130Y, GLU138Y, GLU16c, GLU185c, GLU211c, GLU253c, GLU299Y, GLU51Y, GLU67Y, GLY61c, HIS191c, ILE348Y, LEU44Y, LEU62c, LEU66Y, THR183c, VAL8c |
Y-e |
-8.0287 |
-18.3558 |
10 |
ARG7e, ASP141e, ASP336Y, ASP412Y, GLN408Y, GLU275e, GLU284Y, LYS18e, LYS30e, LYS33e |
Y-f |
-3.854 |
8.0269 |
3 |
ASP113f, ASP412Y, SER411Y |
Z-c |
-51.6627 |
-32.1099 |
22 |
ALA202Z, ARG24c, ARG260c, ARG278Z, ASP116Z, ASP20c, ASP27c, ASP316c, ASP36Z, ASP81Z, GLN45c, GLU117c, GLU230Z, GLU273c, GLU280c, GLU84Z, GLY259c, GLY49c, HIS314c, LYS144c, LYS201Z, VAL34Z |
Z-d |
-67.8984 |
-36.0607 |
33 |
ARG139Z, ARG164Z, ARG182d, ARG184d, ARG283Z, ARG376Z, ARG63d, ARG64d, ARG68Z, ASP14d, ASP289Z, ASP302d, ASP305d, ASP350Z, ASP46Z, ASP60d, GLN49Z, GLU130Z, GLU185d, GLU211d, GLU253d, GLU299Z, GLU51Z, GLU67Z, GLY379Z, GLY43Z, GLY61d, ILE348Z, LEU66Z, SER347Z, THR183d, VAL409d, VAL8d |
Z-e |
0.0 |
-9.8583 |
2 |
ASP336Z, LYS266e |
Z-f |
0.0 |
-2.1561 |
2 |
ASP336Z, LYS135f |
a-b |
-59.4069 |
-4.2874 |
35 |
ALA375b, ARG139a, ARG164a, ARG182b, ARG184b, ARG376a, ARG63b, ARG64b, ARG68a, ASP14b, ASP188b, ASP289a, ASP350a, ASP380b, ASP414a, ASP46a, ASP60b, ASP69a, GLN49a, GLU130a, GLU16b, GLU185b, GLU253b, GLU299a, GLU402a, GLU51a, GLU67a, LEU62b, LEU66a, LYS371b, MET209b, SER295a, SER347a, THR183b, VAL8b |
a-d |
-74.1401 |
-11.6966 |
33 |
ALA362a, ARG171a, ARG24d, ARG260d, ARG271a, ARG278a, ARG342d, ARG358d, ARG365a, ASP116a, ASP316d, ASP338d, ASP36a, ASP81a, GLN172a, GLN44d, GLN45d, GLU117d, GLU230a, GLU273d, GLU274d, GLU280d, GLU84a, GLY259d, GLY48d, GLY49d, HIS314d, LYS144d, LYS201a, SER263d, SER362d, THR340d, VAL34a |
a-e |
0.0 |
-11.8763 |
6 |
ARG283a, ASP412a, GLU275e, GLU278e, GLU284a, LYS120e |
a-f |
-14.2927 |
-11.0507 |
7 |
ASP412a, ASP415a, GLU402a, HIS104f, HIS109f, LYS123f, SER106f |
b-e |
0.0 |
-2.0444 |
2 |
ASP302b, LYS4e |
b-f |
-5.2816 |
10.194 |
6 |
ASP111f, ASP372b, GLU120f, GLU381b, HIS109f, LYS123f |
c-e |
-9.6916 |
-50.92 |
5 |
ARG268e, ASP302c, ASP305c, ASP372c, LYS247e |
d-e |
-3.5926 |
0.0 |
2 |
GLU381d, LEU86e |
d-f |
-8.2968 |
-0.823 |
7 |
ARG129f, ASP301d, ASP372d, GLU132f, GLU369d, ILE131f, LYS135f |
e-f |
-46.3037 |
-79.0734 |
42 |
ALA44f, ALA97f, ARG129f, ARG220e, ARG221e, ARG37e, ARG84e, ARG85f, ARG93f, ASP111f, ASP113f, ASP141e, ASP81f, ASP83e, ASP90f, GLN135e, GLU120f, GLU12f, GLU147e, GLU208e, GLU224e, GLU259e, GLU29f, GLU5e, GLU70f, GLU91f, GLU96f, GLY85e, HIS109f, HIS54e, LEU145e, LEU206e, LYS135f, LYS136f, LYS153e, LYS18e, LYS30e, LYS50e, LYS98f, LYS9e, PRO40f, TYR114f |
|