| ## |
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 |
76 |
20 |
15948 |
◊ |
A |
y,x,-z+1 |
7_556 |
75 |
20 |
15728 |
779.1 |
7.6 |
0.862 |
16 |
20 |
0 |
0.017 |
| 2 |
2 |
|
A |
57 |
17 |
15728 |
x |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
60 |
17 |
15728 |
515.2 |
-0.5 |
0.417 |
3 |
4 |
0 |
0.000 |
3 |
|
B |
58 |
17 |
15948 |
x |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
56 |
18 |
15948 |
507.5 |
0.1 |
0.459 |
4 |
6 |
0 |
0.000 |
| Average: |
511.4 |
-0.2 |
0.438 |
4 |
5 |
0 |
0.000 |
| 3 |
4 |
|
A |
59 |
22 |
15728 |
◊ |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
48 |
17 |
15948 |
437.9 |
4.3 |
0.749 |
2 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
37 |
12 |
15728 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
35 |
9 |
15948 |
330.2 |
-1.5 |
0.283 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[04G]B:405 |
16 |
1 |
371 |
f |
B |
x,y,z |
1_555 |
45 |
16 |
15948 |
264.3 |
-2.4 |
0.286 |
3 |
0 |
0 |
0.026 |
| 6 |
7 |
|
[04G]A:404 |
16 |
1 |
369 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
15728 |
261.0 |
-2.6 |
0.262 |
3 |
0 |
0 |
0.028 |
| 7 |
8 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15728 |
111.0 |
-13.5 |
0.915 |
5 |
0 |
0 |
0.110 |
| 8 |
9 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15948 |
104.6 |
-15.2 |
0.800 |
4 |
0 |
0 |
0.120 |
| 9 |
10 |
|
[GOL]B:406 |
6 |
1 |
216 |
f |
A |
y,x,-z+1 |
7_556 |
18 |
7 |
15728 |
104.3 |
-1.3 |
0.351 |
1 |
0 |
0 |
0.012 |
| 10 |
11 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
15948 |
101.8 |
-14.0 |
0.785 |
5 |
0 |
0 |
0.114 |
| 11 |
12 |
|
[GOL]B:407 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15948 |
98.8 |
-0.0 |
0.501 |
3 |
0 |
0 |
0.010 |
| 12 |
13 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15948 |
95.8 |
-11.9 |
0.779 |
1 |
0 |
0 |
0.086 |
| 13 |
14 |
|
[SO4]B:404 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
15948 |
89.4 |
-13.1 |
0.749 |
2 |
0 |
0 |
0.098 |
| 14 |
15 |
|
[SO4]A:403 |
5 |
1 |
184 |
f |
B |
y,x,-z+1 |
7_556 |
14 |
6 |
15948 |
84.6 |
-11.4 |
0.527 |
2 |
0 |
0 |
0.086 |
| 15 |
16 |
|
[GOL]A:407 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15728 |
84.5 |
0.4 |
0.573 |
3 |
0 |
0 |
0.007 |
| 16 |
17 |
|
B |
11 |
5 |
15948 |
◊ |
A |
-y+1/2,x-1/2,z+3/4 |
3_545 |
11 |
6 |
15728 |
81.9 |
0.9 |
0.674 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15728 |
79.8 |
-10.9 |
0.847 |
4 |
0 |
0 |
0.089 |
| 18 |
19 |
|
[SO4]A:403 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
15728 |
79.1 |
-10.6 |
0.531 |
1 |
0 |
0 |
0.078 |
| 19 |
20 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15728 |
73.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.067 |
| 20 |
21 |
|
[GOL]A:405 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15728 |
68.8 |
0.3 |
0.641 |
1 |
0 |
0 |
0.001 |
| 21 |
22 |
|
[GOL]A:406 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15728 |
68.4 |
-0.8 |
0.245 |
1 |
0 |
0 |
0.009 |
| 22 |
23 |
|
[GOL]B:406 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
15948 |
63.2 |
0.6 |
0.657 |
3 |
0 |
0 |
0.005 |
| 23 |
24 |
|
[SO4]B:403 |
3 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
7_556 |
7 |
3 |
15728 |
35.3 |
-3.6 |
0.897 |
0 |
0 |
0 |
0.025 |
| 24 |
25 |
|
[GOL]A:405 |
4 |
1 |
216 |
◊ |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
5 |
1 |
15948 |
30.5 |
0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
A |
4 |
1 |
15728 |
◊ |
[SO4]B:402 |
-x+1,-y,z-1/2 |
2_654 |
4 |
1 |
186 |
28.2 |
-3.5 |
0.573 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[GOL]A:406 |
2 |
1 |
221 |
f |
[GOL]A:405 |
x,y,z |
1_555 |
4 |
1 |
216 |
26.5 |
-0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[GOL]B:407 |
3 |
1 |
219 |
◊ |
A |
y,x,-z+1 |
7_556 |
4 |
2 |
15728 |
21.3 |
0.3 |
0.622 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[CL]A:408 |
1 |
1 |
125 |
◊ |
B |
y,x,-z+1 |
7_556 |
7 |
3 |
15948 |
19.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 29 |
30 |
|
A |
1 |
1 |
15728 |
◊ |
[SO4]B:404 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
184 |
4.7 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[SO4]A:401 |
1 |
1 |
185 |
◊ |
B |
y,x,-z+1 |
7_556 |
1 |
1 |
15948 |
2.5 |
-0.3 |
0.824 |
0 |
0 |
0 |
0.002 |
|