| ## |
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 |
248 |
43 |
5451 |
◊ |
A |
x,y,z |
1_555 |
354 |
86 |
11077 |
2976.3 |
-31.9 |
0.432 |
59 |
6 |
0 |
0.539 |
2 |
|
D |
245 |
43 |
5398 |
◊ |
B |
x,y,z |
1_555 |
361 |
89 |
11154 |
2969.1 |
-31.5 |
0.432 |
65 |
6 |
0 |
0.539 |
| Average: |
2972.7 |
-31.7 |
0.432 |
62 |
6 |
0 |
0.539 |
| 2 |
3 |
|
A |
84 |
22 |
11077 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
82 |
22 |
11077 |
720.5 |
4.3 |
0.935 |
12 |
0 |
0 |
0.000 |
4 |
|
B |
70 |
21 |
11154 |
◊ |
B |
x,-y,-z |
4_555 |
70 |
21 |
11154 |
621.0 |
-0.1 |
0.768 |
6 |
0 |
0 |
0.000 |
| Average: |
670.7 |
2.1 |
0.851 |
9 |
0 |
0 |
0.000 |
| 3 |
5 |
|
A |
57 |
17 |
11077 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
62 |
19 |
11154 |
561.2 |
-6.5 |
0.284 |
4 |
0 |
0 |
0.000 |
6 |
|
B |
56 |
18 |
11154 |
◊ |
A |
x,y,z |
1_555 |
62 |
16 |
11077 |
541.5 |
-6.7 |
0.259 |
2 |
0 |
0 |
0.000 |
| Average: |
551.4 |
-6.6 |
0.272 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
D |
26 |
9 |
5398 |
◊ |
D |
x,-y,-z |
4_555 |
26 |
9 |
5398 |
296.5 |
-0.8 |
0.799 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
20 |
8 |
5451 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
21 |
8 |
5451 |
158.5 |
3.7 |
0.972 |
6 |
0 |
0 |
0.000 |
| Average: |
227.5 |
1.5 |
0.886 |
4 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[97H]A:1204 |
18 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
52 |
16 |
11077 |
291.7 |
-5.0 |
0.478 |
4 |
0 |
0 |
0.062 |
10 |
|
[97H]B:1204 |
18 |
1 |
415 |
f |
B |
x,y,z |
1_555 |
49 |
16 |
11154 |
290.1 |
-5.7 |
0.382 |
3 |
0 |
0 |
0.062 |
| Average: |
290.9 |
-5.4 |
0.430 |
4 |
0 |
0 |
0.062 |
| 6 |
11 |
|
[GOL]B:1205 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
11154 |
145.3 |
-0.6 |
0.521 |
3 |
0 |
0 |
0.017 |
| 7 |
12 |
|
D |
15 |
7 |
5398 |
◊ |
B |
x,-y,-z |
4_555 |
15 |
6 |
11154 |
145.0 |
-1.9 |
0.349 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
12 |
6 |
5451 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
4 |
11077 |
128.3 |
-2.2 |
0.315 |
0 |
0 |
0 |
0.000 |
| Average: |
136.7 |
-2.0 |
0.332 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[SO4]B:1201 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11154 |
110.2 |
-16.8 |
0.759 |
8 |
0 |
0 |
0.177 |
| 9 |
15 |
|
[SO4]A:1201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11077 |
103.9 |
-17.0 |
0.729 |
6 |
0 |
0 |
0.180 |
| 10 |
16 |
|
[GOL]C:1201 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
5451 |
82.2 |
0.1 |
0.679 |
2 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[SO4]A:1202 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11077 |
75.8 |
-8.8 |
0.933 |
3 |
0 |
0 |
0.093 |
| 12 |
18 |
|
C |
6 |
3 |
5451 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
12 |
6 |
11154 |
73.6 |
-0.9 |
0.477 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
6 |
3 |
5398 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11077 |
73.2 |
-0.6 |
0.509 |
0 |
0 |
0 |
0.000 |
| Average: |
73.4 |
-0.8 |
0.493 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[SO4]B:1202 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11154 |
73.0 |
-8.3 |
0.908 |
3 |
0 |
0 |
0.084 |
| 14 |
21 |
|
[SO4]B:1202 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
5398 |
71.5 |
-10.3 |
0.819 |
1 |
0 |
0 |
0.100 |
| 15 |
22 |
|
[SO4]A:1202 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
5451 |
69.4 |
-10.2 |
0.773 |
1 |
0 |
0 |
0.100 |
| 16 |
23 |
|
[GOL]C:1201 |
6 |
1 |
220 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
14 |
6 |
5451 |
68.7 |
-0.1 |
0.612 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
A |
8 |
3 |
11077 |
◊ |
A |
x,-y-1,-z |
4_545 |
8 |
3 |
11077 |
65.2 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
C |
3 |
1 |
5451 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
9 |
3 |
11154 |
63.2 |
-1.4 |
0.206 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
6 |
2 |
11077 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
5398 |
57.3 |
-1.7 |
0.169 |
0 |
0 |
0 |
0.000 |
| Average: |
60.3 |
-1.6 |
0.188 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[GOL]C:1201 |
5 |
1 |
220 |
f |
[GOL]C:1201 |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
220 |
62.2 |
-0.9 |
0.382 |
0 |
0 |
0 |
0.100 |
| 20 |
28 |
|
C |
2 |
1 |
5451 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11154 |
48.2 |
-0.7 |
0.280 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
2 |
11077 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
5398 |
41.7 |
-0.5 |
0.318 |
0 |
0 |
0 |
0.000 |
| Average: |
44.9 |
-0.6 |
0.299 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
4 |
1 |
11154 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
11154 |
38.2 |
-1.2 |
0.198 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[97H]A:1204 |
2 |
1 |
418 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
5451 |
37.5 |
-0.8 |
0.487 |
0 |
0 |
0 |
0.007 |
32 |
|
[97H]B:1204 |
2 |
1 |
415 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
5398 |
35.9 |
-0.8 |
0.471 |
0 |
0 |
0 |
0.007 |
| Average: |
36.7 |
-0.8 |
0.479 |
0 |
0 |
0 |
0.007 |
| 23 |
33 |
|
A |
4 |
2 |
11077 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
7 |
2 |
11154 |
34.2 |
0.3 |
0.723 |
1 |
1 |
0 |
0.000 |
| 24 |
34 |
|
B |
2 |
1 |
11154 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
11077 |
33.6 |
0.7 |
0.854 |
1 |
2 |
0 |
0.000 |
| 25 |
35 |
|
[SO4]B:1201 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5398 |
24.0 |
-2.8 |
0.842 |
0 |
0 |
0 |
0.024 |
| 26 |
36 |
|
[SO4]A:1201 |
2 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
5451 |
21.6 |
-2.4 |
0.877 |
0 |
0 |
0 |
0.022 |
| 27 |
37 |
|
[SO4]A:1201 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11154 |
10.1 |
-1.0 |
0.812 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
A |
1 |
1 |
11077 |
◊ |
[SO4]B:1201 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
185 |
7.3 |
-0.8 |
0.803 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[GOL]B:1205 |
1 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5398 |
6.3 |
-0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
|