## |
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 |
168 |
47 |
7547 |
◊ |
A |
x,y,z |
1_555 |
167 |
49 |
7236 |
1533.0 |
-17.5 |
0.303 |
23 |
2 |
0 |
0.406 |
2 |
2 |
|
A |
63 |
20 |
7236 |
◊ |
A |
-x+1,-y,z |
2_655 |
63 |
20 |
7236 |
546.6 |
-5.0 |
0.508 |
4 |
0 |
0 |
0.036 |
3 |
3 |
|
B |
47 |
15 |
7547 |
◊ |
A |
-x+1,y,-z |
3_655 |
48 |
14 |
7236 |
496.3 |
-11.2 |
0.026 |
2 |
0 |
0 |
0.198 |
4 |
4 |
|
B |
28 |
9 |
7547 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
27 |
9 |
7547 |
287.4 |
-3.6 |
0.347 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
25 |
11 |
7547 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
28 |
5 |
7236 |
246.7 |
-1.6 |
0.449 |
3 |
0 |
0 |
0.054 |
6 |
6 |
|
[BTN]A:5001 |
16 |
1 |
414 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
7236 |
244.4 |
3.8 |
0.447 |
8 |
0 |
0 |
0.000 |
7 |
|
[BTN]B:5001 |
16 |
1 |
414 |
f |
B |
x,y,z |
1_555 |
42 |
17 |
7547 |
243.9 |
3.8 |
0.438 |
8 |
0 |
0 |
0.000 |
Average: |
244.2 |
3.8 |
0.443 |
8 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
18 |
6 |
7236 |
◊ |
A |
-x+1,y,-z |
3_655 |
18 |
6 |
7236 |
188.5 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
18 |
6 |
7547 |
◊ |
B |
-x+1,y,-z |
3_655 |
18 |
6 |
7547 |
169.3 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
Average: |
178.9 |
0.3 |
0.747 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
14 |
4 |
7236 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
13 |
5 |
7547 |
141.2 |
-2.4 |
0.292 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[GOL]A:5003 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
7236 |
116.0 |
0.1 |
0.651 |
2 |
0 |
0 |
0.015 |
10 |
12 |
|
A |
11 |
3 |
7236 |
◊ |
A |
-x,y,-z |
3_555 |
11 |
3 |
7236 |
99.8 |
0.3 |
0.733 |
4 |
0 |
0 |
0.010 |
11 |
13 |
|
[SO4]B:5004 |
5 |
1 |
187 |
cf |
B |
x,y,z |
1_555 |
14 |
4 |
7547 |
96.6 |
-16.6 |
0.758 |
4 |
0 |
0 |
0.343 |
12 |
14 |
|
B |
11 |
3 |
7547 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
7236 |
80.2 |
2.2 |
0.931 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[GOL]A:5002 |
6 |
1 |
219 |
◊ |
B |
-x+1,y,-z |
3_655 |
9 |
6 |
7547 |
77.4 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.036 |
16 |
|
[GOL]B:5002 |
6 |
1 |
218 |
◊ |
A |
-x+1,y,-z |
3_655 |
10 |
6 |
7236 |
77.1 |
-1.1 |
0.394 |
0 |
0 |
0 |
0.036 |
Average: |
77.3 |
-1.1 |
0.389 |
0 |
0 |
0 |
0.036 |
14 |
17 |
|
[EOH]B:5005 |
3 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
7547 |
75.1 |
1.6 |
0.124 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
[SO4]A:5004 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7236 |
74.3 |
-9.3 |
0.919 |
4 |
0 |
0 |
0.207 |
16 |
19 |
|
B |
8 |
4 |
7547 |
◊ |
[SO4]A:5004 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
5 |
1 |
187 |
72.9 |
-10.2 |
0.755 |
1 |
0 |
0 |
0.199 |
17 |
20 |
|
B |
6 |
3 |
7547 |
◊ |
A |
-x,y,-z |
3_555 |
6 |
2 |
7236 |
64.7 |
-0.6 |
0.444 |
1 |
0 |
0 |
0.013 |
18 |
21 |
|
[GOL]A:5003 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
7547 |
55.6 |
0.3 |
0.633 |
2 |
0 |
0 |
0.009 |
19 |
22 |
|
B |
7 |
2 |
7547 |
◊ |
A |
x,-y,-z |
4_555 |
6 |
2 |
7236 |
54.1 |
-0.9 |
0.406 |
0 |
0 |
0 |
0.010 |
20 |
23 |
|
[GOL]A:5002 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
7236 |
53.9 |
-1.2 |
0.304 |
0 |
0 |
0 |
0.043 |
24 |
|
[GOL]B:5002 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
7547 |
53.6 |
-1.1 |
0.360 |
0 |
0 |
0 |
0.043 |
Average: |
53.7 |
-1.2 |
0.332 |
0 |
0 |
0 |
0.043 |
21 |
25 |
|
[SO4]B:5003 |
4 |
1 |
186 |
f |
B |
-x,y,-z |
3_555 |
8 |
3 |
7547 |
50.0 |
-6.9 |
0.760 |
1 |
0 |
0 |
0.137 |
22 |
26 |
|
[BTN]A:5001 |
9 |
1 |
414 |
◊ |
B |
-x+1,y,-z |
3_655 |
8 |
1 |
7547 |
49.6 |
0.6 |
0.180 |
0 |
0 |
0 |
0.000 |
27 |
|
[BTN]B:5001 |
9 |
1 |
414 |
◊ |
A |
-x+1,y,-z |
3_655 |
8 |
1 |
7236 |
47.7 |
0.7 |
0.178 |
0 |
0 |
0 |
0.000 |
Average: |
48.6 |
0.6 |
0.179 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[SO4]B:5003 |
4 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
7236 |
48.2 |
-6.0 |
0.912 |
1 |
0 |
0 |
0.105 |
24 |
29 |
|
[SO4]B:5003 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7547 |
44.6 |
-3.9 |
0.977 |
1 |
0 |
0 |
0.065 |
25 |
30 |
|
B |
4 |
2 |
7547 |
x |
B |
x-1,y,z |
1_455 |
4 |
2 |
7547 |
40.1 |
0.2 |
0.692 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[GOL]A:5002 |
3 |
1 |
219 |
◊ |
[BTN]B:5001 |
-x+1,y,-z |
3_655 |
4 |
1 |
414 |
35.4 |
0.2 |
0.283 |
1 |
0 |
0 |
0.007 |
32 |
|
[GOL]B:5002 |
3 |
1 |
218 |
◊ |
[BTN]A:5001 |
-x+1,y,-z |
3_655 |
4 |
1 |
414 |
35.3 |
0.2 |
0.285 |
1 |
0 |
0 |
0.007 |
Average: |
35.3 |
0.2 |
0.284 |
1 |
0 |
0 |
0.007 |
27 |
33 |
|
[SO4]B:5004 |
4 |
1 |
187 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
7236 |
28.6 |
-3.2 |
0.943 |
1 |
0 |
0 |
0.054 |
28 |
34 |
|
A |
1 |
1 |
7236 |
x |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
2 |
1 |
7236 |
18.2 |
0.4 |
0.810 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
2 |
1 |
7547 |
x |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
7547 |
13.1 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[SO4]A:5004 |
1 |
1 |
187 |
f |
[GOL]A:5003 |
x,y,z |
1_555 |
2 |
1 |
219 |
8.7 |
-1.1 |
0.683 |
0 |
0 |
0 |
0.021 |
31 |
37 |
|
B |
1 |
1 |
7547 |
◊ |
B |
-x,y,-z |
3_555 |
1 |
1 |
7547 |
7.0 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[SO4]B:5003 |
1 |
1 |
186 |
◊ |
[GOL]A:5002 |
x-1,y,z |
1_455 |
1 |
1 |
219 |
5.0 |
-0.5 |
0.632 |
0 |
0 |
0 |
0.009 |
33 |
39 |
|
[EOH]B:5005 |
1 |
1 |
170 |
f |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
7236 |
4.1 |
0.3 |
0.924 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]B:5004 |
1 |
1 |
187 |
◊ |
[SO4]B:5003 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.3 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.008 |
35 |
41 |
|
B |
1 |
1 |
7547 |
◊ |
[GOL]A:5003 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
219 |
0.2 |
0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
|