## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
251 |
62 |
13446 |
◊ |
A |
x,y,z |
1_555 |
258 |
70 |
23165 |
2548.3 |
-19.5 |
0.089 |
38 |
3 |
0 |
0.757 |
2 |
2 |
|
D |
130 |
10 |
2858 |
◊ |
A |
x,y,z |
1_555 |
136 |
39 |
23165 |
1169.6 |
-0.8 |
0.467 |
19 |
0 |
0 |
0.153 |
3 |
3 |
|
H |
99 |
12 |
2696 |
◊ |
G |
x,y,z |
1_555 |
102 |
12 |
2702 |
803.5 |
6.5 |
0.973 |
32 |
0 |
0 |
0.118 |
4 |
4 |
|
A |
80 |
25 |
23165 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
80 |
25 |
23165 |
705.9 |
2.9 |
0.740 |
6 |
2 |
0 |
0.000 |
5 |
5 |
|
B |
43 |
12 |
13446 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
48 |
16 |
23165 |
417.9 |
-4.1 |
0.233 |
5 |
0 |
0 |
0.000 |
6 |
6 |
|
D |
41 |
5 |
2858 |
◊ |
B |
x,y,z |
1_555 |
48 |
16 |
13446 |
375.9 |
-0.4 |
0.670 |
5 |
0 |
0 |
0.043 |
7 |
7 |
|
A |
45 |
14 |
23165 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
45 |
14 |
23165 |
361.4 |
1.9 |
0.722 |
4 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
38 |
13 |
23165 |
x |
A |
x-y,x,z+1/6 |
6_555 |
34 |
12 |
23165 |
326.3 |
3.5 |
0.832 |
7 |
2 |
0 |
0.000 |
9 |
9 |
|
G |
22 |
4 |
2702 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
23165 |
184.6 |
-1.5 |
0.561 |
4 |
0 |
0 |
0.000 |
10 |
10 |
|
H |
25 |
4 |
2696 |
◊ |
B |
x,x-y+1,-z+1/6 |
12_565 |
16 |
4 |
13446 |
175.2 |
-2.2 |
0.533 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
A |
23 |
11 |
23165 |
◊ |
G |
x-y,x,z+1/6 |
6_555 |
19 |
3 |
2702 |
160.2 |
-1.4 |
0.565 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
A |
14 |
6 |
23165 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
11 |
3 |
2858 |
118.3 |
-1.4 |
0.500 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[CL]B:1005 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
23165 |
49.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.124 |
14 |
14 |
|
B |
4 |
2 |
13446 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
5 |
2 |
13446 |
49.0 |
0.8 |
0.806 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[NA]H:1004 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
2696 |
48.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.232 |
16 |
|
[NA]G:1001 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
2702 |
47.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.232 |
Average: |
47.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.232 |
16 |
17 |
|
[CL]B:1005 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13446 |
45.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.118 |
17 |
18 |
|
[NA]H:1002 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
7 |
2702 |
45.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.195 |
19 |
|
[NA]H:1003 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
2696 |
42.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
43.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.195 |
18 |
20 |
|
[NA]H:1004 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
2702 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.170 |
21 |
|
[NA]G:1001 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
2696 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.170 |
19 |
22 |
|
A |
5 |
3 |
23165 |
◊ |
A |
y,x,-z+1/3 |
7_555 |
5 |
3 |
23165 |
44.6 |
2.5 |
0.932 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[NA]H:1003 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
2702 |
42.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.190 |
24 |
|
[NA]H:1002 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
2696 |
42.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
42.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.190 |
21 |
25 |
|
H |
6 |
3 |
2696 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
23165 |
39.4 |
0.4 |
0.696 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
3 |
1 |
13446 |
◊ |
A |
y,x,-z+1/3 |
7_555 |
2 |
1 |
23165 |
17.2 |
0.0 |
0.438 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[NA]H:1002 |
1 |
1 |
125 |
f |
[NA]G:1001 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.033 |
24 |
28 |
|
[NA]H:1004 |
1 |
1 |
125 |
f |
[NA]H:1003 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.033 |
25 |
29 |
|
A |
2 |
1 |
23165 |
◊ |
H |
x-y,-y+1,-z |
8_565 |
1 |
1 |
2696 |
10.5 |
-0.4 |
0.350 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
H |
3 |
1 |
2696 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
2 |
1 |
23165 |
10.3 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[NA]H:1003 |
1 |
1 |
125 |
◊ |
[NA]H:1002 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.028 |
28 |
32 |
|
B |
2 |
1 |
13446 |
◊ |
H |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
2696 |
3.6 |
-0.0 |
0.418 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
A |
1 |
1 |
23165 |
◊ |
H |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
2696 |
1.9 |
0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
|