| ## |
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 |
95 |
20 |
2755 |
◊ |
A |
x,y,z |
1_555 |
115 |
34 |
8200 |
973.1 |
-7.5 |
0.628 |
14 |
8 |
0 |
0.476 |
2 |
|
D |
94 |
20 |
2666 |
◊ |
C |
x,y,z |
1_555 |
115 |
34 |
8309 |
964.6 |
-7.8 |
0.673 |
13 |
8 |
0 |
0.476 |
| Average: |
968.9 |
-7.6 |
0.650 |
14 |
8 |
0 |
0.476 |
| 2 |
3 |
|
A |
48 |
19 |
8200 |
x |
A |
-y+1,x-y+1,z |
3_665 |
48 |
18 |
8200 |
471.2 |
-0.9 |
0.601 |
3 |
0 |
0 |
0.000 |
4 |
|
C |
44 |
19 |
8309 |
x |
C |
-y,x-y,z |
3_555 |
37 |
15 |
8309 |
426.3 |
-1.3 |
0.578 |
3 |
0 |
0 |
0.000 |
| Average: |
448.7 |
-1.1 |
0.589 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
40 |
10 |
2755 |
◊ |
C |
x,y,z |
1_555 |
45 |
18 |
8309 |
400.8 |
-2.1 |
0.659 |
1 |
0 |
0 |
0.052 |
6 |
|
A |
47 |
19 |
8200 |
◊ |
D |
-y,x-y+1,z |
3_565 |
41 |
10 |
2666 |
395.9 |
-2.5 |
0.658 |
1 |
0 |
0 |
0.052 |
| Average: |
398.3 |
-2.3 |
0.658 |
1 |
0 |
0 |
0.052 |
| 4 |
7 |
|
C |
33 |
11 |
8309 |
◊ |
A |
-y+1,x-y+1,z |
3_665 |
32 |
11 |
8200 |
293.9 |
-0.0 |
0.678 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
A |
34 |
10 |
8200 |
◊ |
C |
-y,x-y+1,z |
3_565 |
36 |
10 |
8309 |
283.6 |
-0.4 |
0.647 |
4 |
0 |
0 |
0.035 |
9 |
|
C |
31 |
9 |
8309 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
8200 |
251.8 |
-0.6 |
0.632 |
2 |
1 |
0 |
0.035 |
| Average: |
267.7 |
-0.5 |
0.639 |
3 |
1 |
0 |
0.035 |
| 6 |
10 |
|
C |
21 |
7 |
8309 |
◊ |
C |
-x,-x+y,-z+1 |
9_556 |
20 |
7 |
8309 |
200.5 |
-3.4 |
0.203 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[CIT]C:202 |
10 |
1 |
309 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
8309 |
136.4 |
-0.4 |
0.334 |
2 |
0 |
0 |
0.084 |
| 8 |
12 |
|
A |
12 |
5 |
8200 |
◊ |
A |
x,x-y+1,-z+1/2 |
12_565 |
12 |
5 |
8200 |
134.5 |
-0.6 |
0.508 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
9 |
4 |
8309 |
◊ |
C |
-y,-x,-z+1/2 |
8_555 |
9 |
4 |
8309 |
120.8 |
-1.1 |
0.382 |
0 |
0 |
0 |
0.000 |
| Average: |
127.7 |
-0.8 |
0.445 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[CIT]C:202 |
10 |
1 |
309 |
◊ |
A |
-y+1,x-y+1,z |
3_665 |
20 |
8 |
8200 |
132.6 |
2.0 |
0.552 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[GOL]A:203 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
8200 |
98.2 |
0.4 |
0.678 |
3 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[GOL]C:201 |
6 |
1 |
223 |
f |
A |
-y+1,x-y+1,z |
3_665 |
16 |
6 |
8200 |
97.0 |
-0.3 |
0.568 |
2 |
0 |
0 |
0.022 |
| 12 |
17 |
|
B |
11 |
4 |
2755 |
◊ |
D |
-y,x-y+1,z |
3_565 |
13 |
5 |
2666 |
95.2 |
-0.6 |
0.713 |
0 |
2 |
0 |
0.009 |
18 |
|
D |
7 |
3 |
2666 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
2755 |
69.5 |
0.1 |
0.769 |
0 |
1 |
0 |
0.009 |
| Average: |
82.3 |
-0.2 |
0.741 |
0 |
2 |
0 |
0.009 |
| 13 |
19 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
8200 |
83.1 |
-9.9 |
0.942 |
3 |
0 |
0 |
0.216 |
| 14 |
20 |
|
[SO4]B:101 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
2755 |
66.9 |
-7.8 |
0.933 |
4 |
0 |
0 |
0.184 |
| 15 |
21 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
2666 |
66.4 |
-7.8 |
0.935 |
4 |
0 |
0 |
0.307 |
| 16 |
22 |
|
C |
13 |
6 |
8309 |
f |
[GOL]A:203 |
-y+1,x-y+1,z |
3_665 |
6 |
1 |
219 |
66.0 |
-0.2 |
0.531 |
0 |
0 |
0 |
0.016 |
| 17 |
23 |
|
[SO4]A:202 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8200 |
64.6 |
-7.9 |
0.890 |
4 |
0 |
0 |
0.186 |
| 18 |
24 |
|
[SO4]D:101 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
8309 |
54.1 |
-4.8 |
0.943 |
1 |
0 |
0 |
0.168 |
| 19 |
25 |
|
[SO4]B:101 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8200 |
52.6 |
-4.6 |
0.943 |
2 |
0 |
0 |
0.106 |
| 20 |
26 |
|
[GOL]C:201 |
6 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
8309 |
46.7 |
0.2 |
0.650 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
C |
5 |
2 |
8309 |
◊ |
[GOL]C:201 |
-y,x-y,z |
3_555 |
4 |
1 |
223 |
38.9 |
-0.2 |
0.530 |
0 |
0 |
0 |
0.002 |
| 22 |
28 |
|
C |
5 |
4 |
8309 |
◊ |
A |
x,x-y+1,-z+1/2 |
12_565 |
4 |
3 |
8200 |
37.4 |
-0.6 |
0.379 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
C |
4 |
2 |
8309 |
◊ |
C |
x-y,-y,-z+1 |
7_556 |
4 |
2 |
8309 |
33.6 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[SO4]B:101 |
4 |
1 |
187 |
◊ |
D |
-y,x-y+1,z |
3_565 |
6 |
3 |
2666 |
32.7 |
-3.5 |
0.854 |
0 |
0 |
0 |
0.033 |
| 25 |
31 |
|
[SO4]D:101 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
2755 |
32.3 |
-3.4 |
0.843 |
0 |
0 |
0 |
0.032 |
| 26 |
32 |
|
[SO4]B:101 |
4 |
1 |
187 |
◊ |
C |
-y,x-y+1,z |
3_565 |
2 |
1 |
8309 |
31.4 |
-2.6 |
0.987 |
2 |
0 |
0 |
0.033 |
| 27 |
33 |
|
[SO4]D:101 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8200 |
30.6 |
-2.7 |
0.987 |
2 |
0 |
0 |
0.033 |
| 28 |
34 |
|
[GOL]C:201 |
2 |
1 |
223 |
◊ |
[GOL]A:203 |
-y+1,x-y+1,z |
3_665 |
4 |
1 |
219 |
27.4 |
-0.1 |
0.614 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
D |
3 |
1 |
2666 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8200 |
19.5 |
0.6 |
0.863 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
3 |
1 |
2755 |
◊ |
C |
-y,x-y+1,z |
3_565 |
3 |
1 |
8309 |
15.7 |
0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
| Average: |
17.6 |
0.6 |
0.846 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[SO4]A:201 |
3 |
1 |
186 |
◊ |
A |
-y+1,x-y+1,z |
3_665 |
2 |
2 |
8200 |
11.5 |
-1.3 |
0.845 |
0 |
0 |
0 |
0.000 |
|