| ## |
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 |
|
C |
205 |
61 |
18868 |
◊ |
C |
-x,-y+1,z |
2_565 |
206 |
61 |
18868 |
1953.9 |
-3.1 |
0.558 |
20 |
10 |
0 |
0.252 |
2 |
|
B |
197 |
64 |
18158 |
◊ |
A |
x,y,z |
1_555 |
198 |
62 |
18331 |
1800.8 |
-7.2 |
0.300 |
14 |
10 |
0 |
0.252 |
| Average: |
1877.3 |
-5.2 |
0.429 |
17 |
10 |
0 |
0.252 |
| 2 |
3 |
|
B |
110 |
33 |
18158 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
112 |
33 |
18868 |
1038.2 |
2.5 |
0.754 |
9 |
4 |
0 |
0.000 |
4 |
|
A |
92 |
31 |
18331 |
◊ |
A |
-x,y,-z |
3_555 |
92 |
31 |
18331 |
868.8 |
-0.6 |
0.583 |
8 |
2 |
0 |
0.000 |
| Average: |
953.5 |
1.0 |
0.668 |
9 |
3 |
0 |
0.000 |
| 3 |
5 |
|
C |
94 |
24 |
18868 |
◊ |
A |
-x,-y+1,z |
2_565 |
103 |
28 |
18331 |
972.7 |
-3.8 |
0.375 |
8 |
4 |
0 |
0.000 |
| 4 |
6 |
|
[AMP]B:502 |
22 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
18158 |
319.9 |
-1.2 |
0.525 |
6 |
0 |
0 |
0.124 |
7 |
|
[AMP]A:501 |
21 |
1 |
497 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
18331 |
317.0 |
-2.2 |
0.422 |
3 |
0 |
0 |
0.124 |
| Average: |
318.4 |
-1.7 |
0.474 |
5 |
0 |
0 |
0.124 |
| 5 |
8 |
|
[AMP]C:503 |
22 |
1 |
507 |
f |
C |
x,y,z |
1_555 |
50 |
21 |
18868 |
315.9 |
-2.4 |
0.419 |
2 |
0 |
0 |
0.097 |
| 6 |
9 |
|
C |
21 |
6 |
18868 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
18331 |
152.6 |
-1.5 |
0.316 |
1 |
3 |
0 |
0.000 |
| 7 |
10 |
|
[SO4]C:604 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
18868 |
108.9 |
-16.1 |
0.777 |
5 |
0 |
0 |
0.547 |
| 8 |
11 |
|
[SO4]A:605 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
18331 |
108.5 |
-15.8 |
0.779 |
8 |
0 |
0 |
0.327 |
| 9 |
12 |
|
[SO4]B:606 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
18158 |
103.4 |
-15.0 |
0.835 |
4 |
0 |
0 |
0.283 |
| 10 |
13 |
|
C |
11 |
4 |
18868 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
18158 |
87.3 |
1.5 |
0.724 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[AMP]C:503 |
10 |
1 |
507 |
◊ |
C |
-x,-y+1,z |
2_565 |
8 |
3 |
18868 |
86.8 |
-1.1 |
0.508 |
1 |
0 |
0 |
0.046 |
| 12 |
15 |
|
[AMP]A:501 |
13 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
18158 |
83.4 |
0.0 |
0.537 |
2 |
0 |
0 |
0.022 |
16 |
|
[AMP]B:502 |
7 |
1 |
497 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
18331 |
64.1 |
-0.4 |
0.183 |
0 |
0 |
0 |
0.022 |
| Average: |
73.8 |
-0.2 |
0.360 |
1 |
0 |
0 |
0.022 |
| 13 |
17 |
|
[GOL]A:614 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18331 |
63.2 |
0.7 |
0.612 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[GOL]A:614 |
3 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
18158 |
44.3 |
0.7 |
0.620 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[SO4]C:604 |
4 |
1 |
186 |
◊ |
C |
-x,-y+1,z |
2_565 |
2 |
1 |
18868 |
32.4 |
-3.6 |
0.919 |
0 |
0 |
0 |
0.109 |
| 16 |
20 |
|
C |
3 |
2 |
18868 |
◊ |
B |
-x,-y+1,z |
2_565 |
3 |
2 |
18158 |
23.8 |
0.8 |
0.845 |
0 |
0 |
0 |
0.000 |
|