| ## |
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 |
|
D |
445 |
121 |
20170 |
◊ |
C |
x,y,z |
1_555 |
444 |
121 |
20054 |
4260.6 |
-47.9 |
0.036 |
53 |
2 |
0 |
0.326 |
2 |
|
B |
445 |
123 |
20227 |
◊ |
A |
x,y,z |
1_555 |
441 |
121 |
20107 |
4249.8 |
-47.8 |
0.033 |
54 |
3 |
0 |
0.326 |
| Average: |
4255.2 |
-47.8 |
0.034 |
54 |
3 |
0 |
0.326 |
| 2 |
3 |
|
D |
152 |
41 |
20170 |
◊ |
A |
x,y,z |
1_555 |
155 |
42 |
20107 |
1383.6 |
-16.5 |
0.150 |
16 |
10 |
0 |
0.171 |
4 |
|
C |
154 |
42 |
20054 |
◊ |
B |
x,y,z |
1_555 |
153 |
41 |
20227 |
1381.5 |
-16.0 |
0.155 |
16 |
8 |
0 |
0.171 |
| Average: |
1382.6 |
-16.3 |
0.152 |
16 |
9 |
0 |
0.171 |
| 3 |
5 |
|
C |
113 |
32 |
20054 |
◊ |
A |
x,y,z |
1_555 |
111 |
32 |
20107 |
1120.7 |
-18.5 |
0.025 |
12 |
8 |
0 |
0.185 |
6 |
|
D |
113 |
32 |
20170 |
◊ |
B |
x,y,z |
1_555 |
113 |
32 |
20227 |
1111.3 |
-18.4 |
0.028 |
12 |
8 |
0 |
0.185 |
| Average: |
1116.0 |
-18.4 |
0.027 |
12 |
8 |
0 |
0.185 |
| 4 |
7 |
|
C |
66 |
18 |
20054 |
◊ |
C |
-x-1,y,-z-1 |
2_454 |
67 |
18 |
20054 |
588.6 |
3.5 |
0.912 |
4 |
4 |
0 |
0.000 |
| 5 |
8 |
|
B |
32 |
8 |
20227 |
◊ |
A |
-x,y,-z |
2_555 |
28 |
10 |
20107 |
261.7 |
-0.8 |
0.612 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[PLP]A:419 |
15 |
1 |
386 |
cf |
A |
x,y,z |
1_555 |
46 |
15 |
20107 |
252.7 |
2.9 |
0.715 |
6 |
0 |
0 |
0.003 |
10 |
|
[PLP]B:419 |
15 |
1 |
387 |
cf |
B |
x,y,z |
1_555 |
46 |
16 |
20227 |
252.4 |
2.4 |
0.712 |
6 |
0 |
0 |
0.003 |
11 |
|
[PLP]C:419 |
15 |
1 |
388 |
cf |
C |
x,y,z |
1_555 |
46 |
16 |
20054 |
252.2 |
2.8 |
0.729 |
7 |
0 |
0 |
0.003 |
12 |
|
[PLP]D:419 |
15 |
1 |
384 |
cf |
D |
x,y,z |
1_555 |
44 |
15 |
20170 |
249.4 |
2.9 |
0.716 |
6 |
0 |
0 |
0.003 |
| Average: |
251.7 |
2.8 |
0.718 |
6 |
0 |
0 |
0.003 |
| 7 |
13 |
|
C |
26 |
11 |
20054 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
21 |
8 |
20170 |
180.7 |
-0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[SF4]C:418 |
8 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
27 |
15 |
20054 |
180.4 |
-20.1 |
0.455 |
0 |
0 |
0 |
0.297 |
15 |
|
[SF4]B:418 |
8 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
20227 |
178.7 |
-19.9 |
0.462 |
0 |
0 |
0 |
0.297 |
16 |
|
[SF4]D:418 |
8 |
1 |
298 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
20170 |
178.7 |
-19.9 |
0.405 |
0 |
0 |
0 |
0.297 |
17 |
|
[SF4]A:418 |
8 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
20107 |
178.5 |
-20.0 |
0.359 |
0 |
0 |
0 |
0.297 |
| Average: |
179.1 |
-20.0 |
0.420 |
0 |
0 |
0 |
0.297 |
| 9 |
18 |
|
B |
19 |
6 |
20227 |
◊ |
B |
-x,y,-z |
2_555 |
19 |
6 |
20227 |
163.3 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
12 |
5 |
20107 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
20 |
9 |
20227 |
117.6 |
1.8 |
0.855 |
1 |
0 |
0 |
0.000 |
| 11 |
20 |
|
D |
11 |
5 |
20170 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
14 |
4 |
20054 |
91.9 |
1.4 |
0.836 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[SO4]B:495 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
20227 |
76.5 |
-11.6 |
0.769 |
2 |
0 |
0 |
0.091 |
| 13 |
22 |
|
[SO4]D:494 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
20170 |
74.8 |
-11.1 |
0.807 |
1 |
0 |
0 |
0.084 |
| 14 |
23 |
|
[SO4]A:592 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20107 |
73.9 |
-10.5 |
0.801 |
0 |
0 |
0 |
0.078 |
| 15 |
24 |
|
[SO4]C:593 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
20054 |
70.7 |
-10.0 |
0.856 |
0 |
0 |
0 |
0.074 |
| 16 |
25 |
|
D |
8 |
4 |
20170 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
6 |
3 |
20227 |
59.3 |
0.7 |
0.688 |
1 |
0 |
0 |
0.000 |
| 17 |
26 |
|
A |
4 |
2 |
20107 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
10 |
3 |
20107 |
58.0 |
0.5 |
0.712 |
1 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[SO4]C:593 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
20227 |
54.3 |
-7.7 |
0.697 |
0 |
0 |
0 |
0.051 |
| 19 |
28 |
|
[PLP]B:419 |
4 |
1 |
387 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
20107 |
44.8 |
-2.7 |
0.277 |
1 |
0 |
0 |
0.029 |
29 |
|
[PLP]C:419 |
4 |
1 |
388 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
20170 |
44.4 |
-2.7 |
0.272 |
1 |
0 |
0 |
0.029 |
30 |
|
[PLP]D:419 |
4 |
1 |
384 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
20054 |
43.8 |
-2.7 |
0.268 |
1 |
0 |
0 |
0.029 |
31 |
|
[PLP]A:419 |
4 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20227 |
42.7 |
-2.5 |
0.292 |
1 |
0 |
0 |
0.029 |
| Average: |
43.9 |
-2.7 |
0.277 |
1 |
0 |
0 |
0.029 |
| 20 |
32 |
|
[SO4]D:494 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
20107 |
42.5 |
-6.0 |
0.677 |
0 |
0 |
0 |
0.041 |
| 21 |
33 |
|
[SO4]B:495 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
20054 |
41.8 |
-6.3 |
0.652 |
0 |
0 |
0 |
0.042 |
| 22 |
34 |
|
[SO4]A:592 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
20170 |
40.0 |
-5.5 |
0.694 |
0 |
0 |
0 |
0.038 |
| 23 |
35 |
|
D |
11 |
7 |
20170 |
◊ |
D |
-x,y,-z-1 |
2_554 |
11 |
7 |
20170 |
36.9 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[ZN]D:421 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
20054 |
35.7 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.365 |
37 |
|
[ZN]B:421 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
20107 |
35.5 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.365 |
38 |
|
[ZN]C:421 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
20170 |
35.5 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.365 |
39 |
|
[ZN]A:421 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
20227 |
35.4 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.365 |
| Average: |
35.5 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.365 |
| 25 |
40 |
|
[ZN]A:421 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20107 |
29.9 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.142 |
41 |
|
[ZN]D:421 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
20170 |
29.6 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.142 |
42 |
|
[ZN]C:421 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
20054 |
29.6 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.142 |
43 |
|
[ZN]B:421 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20227 |
29.6 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
29.7 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.142 |
|