| ## |
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 |
87 |
27 |
12953 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
86 |
27 |
12953 |
839.1 |
-5.3 |
0.394 |
12 |
6 |
0 |
0.108 |
2 |
|
B |
83 |
27 |
12852 |
◊ |
A |
x,y,z |
1_555 |
87 |
28 |
12879 |
816.1 |
-5.7 |
0.352 |
11 |
4 |
0 |
0.108 |
| Average: |
827.6 |
-5.5 |
0.373 |
12 |
5 |
0 |
0.108 |
| 2 |
3 |
|
C |
83 |
21 |
12953 |
◊ |
B |
x,y,z |
1_555 |
76 |
19 |
12852 |
779.3 |
-4.5 |
0.407 |
5 |
4 |
0 |
0.129 |
| 3 |
4 |
|
C |
47 |
12 |
12953 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
52 |
13 |
12879 |
465.9 |
1.4 |
0.792 |
9 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
32 |
8 |
12852 |
◊ |
B |
-x,y,-z |
2_555 |
31 |
8 |
12852 |
326.9 |
-0.2 |
0.629 |
4 |
4 |
0 |
0.000 |
| 5 |
6 |
|
C |
35 |
12 |
12953 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
34 |
8 |
12852 |
299.4 |
-2.5 |
0.409 |
0 |
0 |
0 |
0.038 |
7 |
|
C |
25 |
7 |
12953 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
12879 |
246.7 |
-3.0 |
0.278 |
0 |
0 |
0 |
0.038 |
| Average: |
273.1 |
-2.8 |
0.343 |
0 |
0 |
0 |
0.038 |
| 6 |
8 |
|
[AMQ]C:429 |
13 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
40 |
15 |
12953 |
227.3 |
-1.5 |
0.391 |
9 |
0 |
0 |
0.188 |
9 |
|
[AMQ]B:428 |
13 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
12852 |
227.2 |
-1.3 |
0.396 |
9 |
0 |
0 |
0.188 |
10 |
|
[AMQ]A:427 |
13 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
12879 |
224.0 |
-0.4 |
0.506 |
9 |
0 |
0 |
0.188 |
| Average: |
226.2 |
-1.1 |
0.431 |
9 |
0 |
0 |
0.188 |
| 7 |
11 |
|
B |
19 |
6 |
12852 |
◊ |
B |
-x+1,y,-z |
2_655 |
19 |
6 |
12852 |
151.2 |
-0.8 |
0.526 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
20 |
6 |
12852 |
◊ |
A |
-x,y,-z |
2_555 |
17 |
4 |
12879 |
143.9 |
-0.8 |
0.514 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[GOL]B:263 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12852 |
124.6 |
-0.6 |
0.460 |
1 |
0 |
0 |
0.018 |
| 10 |
14 |
|
[SO4]A:261 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
12879 |
115.5 |
-16.2 |
0.761 |
5 |
0 |
0 |
0.177 |
| 11 |
15 |
|
[GOL]B:265 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12852 |
113.7 |
0.1 |
0.587 |
7 |
0 |
0 |
0.053 |
| 12 |
16 |
|
[GOL]C:264 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
12953 |
111.7 |
-0.3 |
0.550 |
3 |
0 |
0 |
0.028 |
| 13 |
17 |
|
[GOL]B:262 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12879 |
110.4 |
-0.4 |
0.531 |
3 |
0 |
0 |
0.017 |
| 14 |
18 |
|
[GOL]C:263 |
6 |
1 |
221 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
16 |
8 |
12953 |
104.2 |
0.5 |
0.679 |
2 |
0 |
0 |
0.007 |
19 |
|
[GOL]B:264 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
12852 |
102.2 |
0.2 |
0.622 |
2 |
0 |
0 |
0.007 |
| Average: |
103.2 |
0.3 |
0.651 |
2 |
0 |
0 |
0.007 |
| 15 |
20 |
|
[GOL]C:266 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
12953 |
103.6 |
-0.1 |
0.602 |
3 |
0 |
0 |
0.025 |
| 16 |
21 |
|
[SO4]C:261 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
12852 |
85.3 |
-10.6 |
0.884 |
4 |
0 |
0 |
0.216 |
| 17 |
22 |
|
[SO4]A:262 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
12879 |
82.9 |
-10.6 |
0.879 |
3 |
0 |
0 |
0.115 |
| 18 |
23 |
|
[GOL]C:265 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12953 |
78.9 |
-0.1 |
0.577 |
3 |
0 |
0 |
0.025 |
| 19 |
24 |
|
[GOL]A:265 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12879 |
78.4 |
-0.1 |
0.571 |
4 |
0 |
0 |
0.018 |
| 20 |
25 |
|
[SO4]B:261 |
5 |
1 |
185 |
f |
A |
-x+1,y,-z+1 |
2_656 |
12 |
6 |
12879 |
75.1 |
-9.6 |
0.846 |
4 |
0 |
0 |
0.110 |
| 21 |
26 |
|
[GOL]B:264 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
12879 |
74.2 |
-0.3 |
0.535 |
1 |
0 |
0 |
0.007 |
| 22 |
27 |
|
[GOL]C:263 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
12953 |
73.5 |
-0.5 |
0.545 |
0 |
0 |
0 |
0.008 |
| 23 |
28 |
|
A |
10 |
4 |
12879 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
4 |
12879 |
73.4 |
-1.1 |
0.389 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[SO4]C:261 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
12953 |
69.3 |
-9.7 |
0.827 |
1 |
0 |
0 |
0.177 |
| 25 |
30 |
|
[SO4]A:264 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
12879 |
68.4 |
-8.3 |
0.885 |
3 |
0 |
0 |
0.093 |
| 26 |
31 |
|
A |
6 |
2 |
12879 |
◊ |
A |
-x,y,-z+1 |
2_556 |
6 |
2 |
12879 |
65.3 |
-2.2 |
0.085 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[GOL]B:263 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12879 |
62.7 |
0.3 |
0.636 |
2 |
0 |
0 |
0.006 |
| 28 |
33 |
|
[SO4]A:263 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
12879 |
58.5 |
-7.6 |
0.848 |
2 |
0 |
0 |
0.082 |
| 29 |
34 |
|
[SO4]B:261 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
12852 |
57.7 |
-7.7 |
0.765 |
2 |
0 |
0 |
0.075 |
| 30 |
35 |
|
[SO4]C:262 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
12953 |
54.4 |
-6.8 |
0.908 |
2 |
0 |
0 |
0.134 |
| 31 |
36 |
|
[GOL]B:262 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
12852 |
54.1 |
0.4 |
0.694 |
3 |
0 |
0 |
0.009 |
| 32 |
37 |
|
[GOL]C:264 |
5 |
1 |
220 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
9 |
2 |
12953 |
52.1 |
0.3 |
0.680 |
1 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[SO4]A:263 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12953 |
49.1 |
-6.6 |
0.713 |
0 |
0 |
0 |
0.045 |
| 34 |
39 |
|
[SO4]A:264 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12953 |
47.6 |
-6.2 |
0.662 |
0 |
0 |
0 |
0.042 |
| 35 |
40 |
|
[SO4]C:262 |
5 |
1 |
185 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
12852 |
46.6 |
-6.1 |
0.582 |
0 |
0 |
0 |
0.042 |
| 36 |
41 |
|
B |
3 |
1 |
12852 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
12879 |
45.6 |
1.5 |
0.866 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[GOL]A:265 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12953 |
43.4 |
-0.4 |
0.501 |
0 |
0 |
0 |
0.006 |
43 |
|
[GOL]C:265 |
4 |
1 |
220 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
6 |
3 |
12852 |
43.3 |
-0.5 |
0.447 |
0 |
0 |
0 |
0.006 |
| Average: |
43.4 |
-0.5 |
0.474 |
0 |
0 |
0 |
0.006 |
| 38 |
44 |
|
[SO4]A:264 |
3 |
1 |
184 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
12852 |
29.4 |
-3.3 |
0.942 |
2 |
0 |
0 |
0.036 |
| 39 |
45 |
|
[GOL]B:264 |
3 |
1 |
220 |
f |
[GOL]B:262 |
x,y,z |
1_555 |
2 |
1 |
219 |
24.5 |
-0.2 |
0.550 |
0 |
0 |
0 |
0.002 |
| 40 |
46 |
|
[GOL]C:264 |
3 |
1 |
220 |
f |
[GOL]C:263 |
x,y,z |
1_555 |
3 |
1 |
221 |
24.4 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.002 |
| 41 |
47 |
|
B |
3 |
1 |
12852 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
12879 |
23.5 |
0.5 |
0.801 |
0 |
1 |
0 |
0.000 |
| 42 |
48 |
|
[GOL]B:265 |
2 |
1 |
220 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
1 |
12879 |
15.7 |
-0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[SO4]B:261 |
1 |
1 |
185 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
12953 |
4.7 |
-0.7 |
0.516 |
0 |
0 |
0 |
0.004 |
|