| ## |
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 |
|
H |
189 |
52 |
12140 |
◊ |
L |
x,y,z |
1_555 |
195 |
60 |
11451 |
1790.1 |
-24.0 |
0.028 |
15 |
1 |
0 |
0.530 |
2 |
|
B |
191 |
52 |
12150 |
◊ |
A |
x,y,z |
1_555 |
193 |
59 |
11446 |
1780.9 |
-23.7 |
0.029 |
16 |
1 |
0 |
0.530 |
| Average: |
1785.5 |
-23.9 |
0.028 |
16 |
1 |
0 |
0.530 |
| 2 |
3 |
|
B |
46 |
13 |
12150 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
46 |
16 |
11446 |
399.8 |
0.8 |
0.734 |
8 |
3 |
0 |
0.059 |
4 |
|
H |
47 |
14 |
12140 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
44 |
16 |
11451 |
394.0 |
0.6 |
0.720 |
8 |
3 |
0 |
0.059 |
| Average: |
396.9 |
0.7 |
0.727 |
8 |
3 |
0 |
0.059 |
| 3 |
5 |
|
H |
40 |
15 |
12140 |
◊ |
B |
-x,y-1,-z+1 |
2_546 |
35 |
11 |
12150 |
371.0 |
-4.2 |
0.255 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
H |
27 |
11 |
12140 |
◊ |
A |
-x,y-1,-z+1 |
2_546 |
32 |
11 |
11446 |
268.8 |
0.1 |
0.656 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
28 |
10 |
11446 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
28 |
9 |
12150 |
256.8 |
-0.4 |
0.606 |
5 |
0 |
0 |
0.054 |
8 |
|
L |
31 |
11 |
11451 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
29 |
9 |
12140 |
255.4 |
-0.3 |
0.614 |
6 |
0 |
0 |
0.054 |
| Average: |
256.1 |
-0.3 |
0.610 |
6 |
0 |
0 |
0.054 |
| 6 |
9 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11446 |
85.7 |
-12.6 |
0.679 |
3 |
0 |
0 |
0.291 |
| 7 |
10 |
|
[SO4]L:303 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
11451 |
84.9 |
-12.7 |
0.709 |
4 |
0 |
0 |
0.249 |
| 8 |
11 |
|
H |
7 |
4 |
12140 |
◊ |
[GOL]L:402 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
217 |
81.6 |
0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[GOL]H:401 |
5 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
12140 |
77.2 |
0.6 |
0.690 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
6 |
4 |
12150 |
◊ |
[GOL]A:403 |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
1 |
214 |
67.8 |
0.4 |
0.691 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
L |
11 |
5 |
11451 |
◊ |
L |
-x,y,-z+1 |
2_556 |
11 |
5 |
11451 |
67.1 |
1.7 |
0.826 |
2 |
0 |
0 |
0.000 |
15 |
|
A |
11 |
5 |
11446 |
◊ |
A |
-x,y,-z+2 |
2_557 |
11 |
5 |
11446 |
66.8 |
1.7 |
0.827 |
0 |
0 |
0 |
0.000 |
| Average: |
67.0 |
1.7 |
0.827 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[GOL]L:402 |
5 |
1 |
217 |
◊ |
L |
x,y,z |
1_555 |
12 |
6 |
11451 |
64.5 |
0.4 |
0.604 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[SO4]A:301 |
4 |
1 |
185 |
f |
A |
-x,y,-z+2 |
2_557 |
8 |
4 |
11446 |
64.0 |
-8.5 |
0.744 |
3 |
0 |
0 |
0.205 |
| 14 |
18 |
|
[GOL]A:403 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11446 |
63.6 |
0.3 |
0.609 |
3 |
0 |
0 |
0.021 |
| 15 |
19 |
|
H |
10 |
4 |
12140 |
f |
[SO4]L:302 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
185 |
63.4 |
-8.0 |
0.842 |
2 |
0 |
0 |
0.153 |
| 16 |
20 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12150 |
56.7 |
-6.6 |
0.901 |
1 |
0 |
0 |
0.148 |
| 17 |
21 |
|
[SO4]L:302 |
4 |
1 |
185 |
◊ |
L |
-x,y,-z+1 |
2_556 |
9 |
4 |
11451 |
56.6 |
-7.4 |
0.744 |
2 |
0 |
0 |
0.023 |
| 18 |
22 |
|
L |
6 |
3 |
11451 |
f |
[GOL]H:401 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
217 |
54.5 |
-0.6 |
0.437 |
0 |
0 |
0 |
0.010 |
| 19 |
23 |
|
B |
8 |
3 |
12150 |
◊ |
[SO4]A:301 |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
1 |
185 |
51.9 |
-6.7 |
0.796 |
1 |
0 |
0 |
0.148 |
| 20 |
24 |
|
A |
5 |
3 |
11446 |
◊ |
[SO4]B:305 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
185 |
47.7 |
-6.4 |
0.575 |
0 |
0 |
0 |
0.133 |
| 21 |
25 |
|
[SO4]L:302 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11451 |
47.5 |
-3.9 |
0.976 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11446 |
42.9 |
-3.5 |
0.974 |
2 |
0 |
0 |
0.080 |
| 23 |
27 |
|
[SO4]A:304 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12150 |
37.7 |
-3.5 |
0.951 |
2 |
0 |
0 |
0.066 |
| 24 |
28 |
|
[SO4]L:303 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
12140 |
35.5 |
-3.0 |
0.953 |
1 |
0 |
0 |
0.060 |
| 25 |
29 |
|
L |
4 |
2 |
11451 |
f |
[GOL]L:402 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
217 |
4.6 |
-0.1 |
0.565 |
0 |
0 |
0 |
0.002 |
| 26 |
30 |
|
A |
2 |
2 |
11446 |
◊ |
[GOL]A:403 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
214 |
3.2 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[GOL]H:401 |
1 |
1 |
217 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11451 |
1.7 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
|