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 |
-0.0191 |
-0.0191 |
2 |
0 |
0 |
12 |
0 |
0 |
0 |
|
A-D |
-111.4874 |
-55.4361 |
-544.002 |
-710.9254 |
247 |
23 |
11 |
22960 |
6 |
60 |
75 |
|
A-E |
-94.618 |
7.2737 |
-448.503 |
-535.8473 |
203 |
23 |
9 |
19643 |
1 |
67 |
67 |
|
A-G |
-4.4846 |
-2.7211 |
-102.18 |
-109.3857 |
71 |
2 |
3 |
4707 |
1 |
23 |
13 |
|
A-I |
0.0 |
0.0 |
-0.0412 |
-0.0412 |
5 |
0 |
0 |
18 |
0 |
0 |
0 |
|
B-E |
-71.3264 |
-48.6502 |
-486.824 |
-606.8007 |
201 |
27 |
10 |
19426 |
3 |
46 |
55 |
|
B-F |
-84.0533 |
-32.1234 |
-565.047 |
-681.2236 |
244 |
27 |
12 |
23959 |
8 |
78 |
71 |
|
B-G |
-4.685 |
-29.3909 |
-32.4323 |
-66.5082 |
55 |
3 |
0 |
2067 |
2 |
13 |
5 |
|
B-N |
-13.5385 |
-2.9319 |
-65.3862 |
-81.8565 |
49 |
2 |
0 |
3030 |
1 |
23 |
23 |
|
C-D |
-85.1098 |
20.69 |
-521.56 |
-585.9798 |
247 |
28 |
12 |
22650 |
3 |
73 |
69 |
|
C-F |
-77.8114 |
-89.6245 |
-526.053 |
-693.4889 |
237 |
24 |
11 |
22276 |
6 |
60 |
76 |
|
C-G |
-13.5374 |
46.6401 |
-46.092 |
-12.9893 |
51 |
1 |
0 |
2171 |
0 |
15 |
13 |
|
C-I |
0.0 |
0.0 |
-0.6113 |
-0.6113 |
10 |
0 |
0 |
105 |
0 |
1 |
3 |
|
D-F |
0.0 |
0.0 |
-0.2613 |
-0.2613 |
5 |
0 |
0 |
78 |
0 |
0 |
0 |
|
D-G |
-18.5913 |
-32.7078 |
-77.5785 |
-128.8776 |
72 |
2 |
5 |
4214 |
5 |
23 |
18 |
|
D-I |
0.0 |
6.8067 |
-0.0155 |
6.7912 |
3 |
0 |
0 |
5 |
0 |
1 |
3 |
|
E-G |
-14.7913 |
-40.255 |
-99.2123 |
-154.2586 |
59 |
3 |
2 |
4416 |
2 |
12 |
4 |
|
E-K |
-12.0107 |
-6.9065 |
-49.9094 |
-68.8267 |
41 |
4 |
0 |
2100 |
0 |
26 |
25 |
|
E-N |
-32.5987 |
-41.6488 |
-48.6867 |
-122.9341 |
61 |
7 |
0 |
2683 |
3 |
34 |
38 |
|
E-T |
0.0 |
-10.3664 |
3 |
GLU504T, LYS40E, LYS45E |
F-G |
-21.9949 |
-62.7598 |
-97.8114 |
-182.5661 |
79 |
7 |
4 |
4931 |
3 |
29 |
17 |
|
G-H |
-20.6551 |
-7.6323 |
-253.017 |
-281.3045 |
97 |
16 |
8 |
10175 |
0 |
23 |
21 |
|
G-I |
-46.1006 |
-0.2824 |
-255.347 |
-301.73 |
98 |
15 |
16 |
10341 |
1 |
12 |
13 |
|
H-I |
-10.5972 |
-14.6065 |
-97.8907 |
-123.0944 |
69 |
9 |
11 |
4848 |
2 |
11 |
7 |
|
J-K |
0.0 |
0.0 |
-0.0238 |
-0.0238 |
3 |
0 |
0 |
16 |
0 |
0 |
0 |
|
J-L |
0.0 |
0.0 |
-0.0006 |
-0.0006 |
2 |
0 |
0 |
2 |
0 |
1 |
0 |
|
J-M |
-76.3681 |
-51.7489 |
-542.026 |
-670.143 |
248 |
19 |
8 |
22613 |
7 |
59 |
78 |
|
J-N |
-92.5877 |
17.3478 |
-482.389 |
-557.6289 |
211 |
26 |
8 |
20470 |
4 |
70 |
70 |
|
J-P |
-5.6447 |
-28.6143 |
-62.3135 |
-96.5725 |
66 |
2 |
2 |
3559 |
3 |
22 |
13 |
|
K-N |
-100.5244 |
-47.2316 |
-484.539 |
-632.295 |
194 |
37 |
12 |
19082 |
3 |
46 |
53 |
|
K-O |
-104.0981 |
-56.6997 |
-571.209 |
-732.0068 |
249 |
36 |
14 |
24265 |
7 |
81 |
69 |
|
K-P |
-4.5355 |
-35.7985 |
-36.72 |
-77.0539 |
57 |
2 |
0 |
2208 |
2 |
14 |
7 |
|
K-T |
0.0 |
-5.1416 |
2 |
ASP124K, LYS493T |
K-X |
-18.0439 |
14.7178 |
7 |
ASN28K, ASP436X, ASP465X, GLU29K, GLU464X, LYS430X, LYS91K |
L-M |
-93.3725 |
4.0843 |
-516.535 |
-605.8231 |
255 |
28 |
11 |
22797 |
4 |
79 |
73 |
|
L-O |
-75.9815 |
-89.8659 |
-521.511 |
-687.3583 |
244 |
22 |
13 |
22172 |
8 |
57 |
71 |
|
L-P |
-11.6825 |
38.5269 |
-47.184 |
-20.3396 |
51 |
2 |
0 |
2289 |
1 |
12 |
7 |
|
M-O |
0.0 |
0.0 |
-2.8961 |
-2.8961 |
7 |
0 |
0 |
372 |
0 |
0 |
3 |
|
M-P |
-4.6176 |
-14.5664 |
-92.0016 |
-111.1857 |
75 |
2 |
4 |
4599 |
1 |
27 |
24 |
|
M-R |
0.0 |
0.0 |
-0.0199 |
-0.0199 |
2 |
0 |
0 |
11 |
0 |
1 |
3 |
|
N-P |
-19.8578 |
-53.555 |
-101.963 |
-175.3757 |
60 |
5 |
3 |
4689 |
2 |
15 |
5 |
|
O-P |
-6.2121 |
-5.5707 |
-67.0571 |
-78.8399 |
74 |
0 |
4 |
3725 |
0 |
26 |
13 |
|
O-X |
-11.3321 |
1.0522 |
4 |
ALA177X, LYS176X, LYS40O, LYS75O |
P-Q |
-7.7738 |
-2.0538 |
-146.577 |
-156.4045 |
79 |
12 |
7 |
6410 |
0 |
15 |
18 |
|
P-R |
-14.7193 |
0.0 |
-87.4745 |
-102.1938 |
65 |
7 |
13 |
4571 |
0 |
4 |
7 |
|
Q-R |
0.0 |
0.0 |
-23.1865 |
-23.1865 |
45 |
0 |
8 |
1615 |
0 |
4 |
3 |
|
S-V |
-104.1244 |
-80.0705 |
39 |
ARG173S, ARG212S, ARG274V, ARG281S, ARG356V, ARG82S, ASN35V, ASN57V, ASP172S, ASP288V, ASP330V, ASP352V, ASP38S, ASP400V, ASP81S, GLN174S, GLN217S, GLN407S, GLU126V, GLU240S, GLU294V, GLU357S, GLU376V, GLU56V, GLU86S, GLU88S, HIS118V, HIS328V, HIS53V, ILE33V, LYS152V, LYS211S, LYS354V, LYS361S, LYS382V, LYS85S, SER277V, THR332V, VAL36S |
S-W |
-65.7774 |
11.5115 |
32 |
ALA51S, ARG130S, ARG141S, ARG142S, ARG166S, ARG190W, ARG192W, ARG199W, ARG375S, ARG72W, ASN195W, ASN47S, ASP196W, ASP22W, ASP299S, ASP349S, ASP65W, GLN50S, GLU193W, GLU224W, GLU267W, GLU309S, GLU52S, GLU68W, GLU69S, GLY69W, ILE138S, ILE347S, LEU68S, LYS134S, THR348S, VAL16W |
S-Y |
-6.0169 |
-8.5052 |
7 |
ARG259Y, ARG293S, ASP335S, GLU266Y, GLU294S, GLU7Y, SER337S |
T-W |
-68.1093 |
-48.8917 |
25 |
ARG173T, ARG212T, ARG274W, ARG42T, ARG82T, ASN35W, ASN57W, ASP330W, ASP38T, ASP81T, GLN282T, GLU126W, GLU240T, GLU294W, GLU56W, GLU86T, HIS118W, HIS328W, HIS53W, LYS152W, LYS211T, LYS85T, PHE326W, THR287W, VAL36T |
T-X |
-84.7739 |
-18.4552 |
39 |
ALA51T, ARG130T, ARG141T, ARG142T, ARG166T, ARG190X, ARG192X, ARG199X, ARG293T, ARG375T, ARG72X, ASN195X, ASN223X, ASP196X, ASP22X, ASP299T, ASP316X, ASP319X, ASP349T, ASP65X, GLU105X, GLU193X, GLU224X, GLU267X, GLU309T, GLU401T, GLU52T, GLU68X, GLU69T, HIS455X, ILE345T, ILE347T, LEU46T, LEU68T, LEU70X, LYS134T, LYS317T, THR191X, VAL16X |
T-Y |
0.0 |
-23.9426 |
3 |
ARG257Y, ASP335T, GLU294T |
U-V |
-59.5917 |
2.9235 |
36 |
ALA51U, ARG130U, ARG141U, ARG142U, ARG166U, ARG190V, ARG192V, ARG199V, ARG375U, ARG72V, ASP196V, ASP22V, ASP299U, ASP349U, ASP394V, ASP411U, ASP65V, GLU105V, GLU193V, GLU224V, GLU267V, GLU309U, GLU52U, GLU68V, GLU69U, GLY69V, ILE347U, LEU68U, LEU70V, LYS134U, LYS317U, PRO70U, SER346U, THR348U, TYR302U, VAL16V |
U-X |
-91.6961 |
-80.6648 |
35 |
ARG173U, ARG212U, ARG274X, ARG288U, ARG364U, ARG82U, ASN57X, ASP120X, ASP288X, ASP330X, ASP352X, ASP38U, ASP81U, GLN282U, GLU126X, GLU240U, GLU294X, GLU29X, GLU357U, GLU56X, GLU86U, GLY273X, HIS118X, HIS328X, HIS53X, LEU351X, LYS152X, LYS211U, LYS354X, LYS382X, LYS85U, THR287X, TYR360U, TYR368X, VAL36U |
U-Y |
-12.9301 |
12.9585 |
12 |
ALA295U, ARG293U, ASP112Y, ASP269Y, ASP335U, ASP411U, ASP80Y, GLU294U, GLU5Y, LYS113Y, LYS4Y, LYS81Y |
V-Y |
-9.4662 |
-29.6239 |
9 |
ASP315V, ASP316V, ASP386V, ASP394V, GLU395V, LYS11Y, LYS18Y, LYS4Y, LYS81Y |
W-Y |
-8.542 |
-12.5519 |
9 |
ARG257Y, ARG259Y, ASP238Y, ASP316W, ASP319W, ASP386W, LYS24Y, THR264Y, VAL279W |
X-Y |
-9.7189 |
-51.5028 |
10 |
ALA389X, ARG120Y, ARG9Y, ASN243Y, ASP386X, ASP394X, GLU395X, GLU398X, HIS88Y, LEU83Y |
Y-1 |
-12.1103 |
0.0 |
4 |
ASN131Y, ASP148Y, PHE431, SER91 |
|