| ## |
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 |
248 |
43 |
5382 |
◊ |
B |
x,y,z |
1_555 |
349 |
89 |
11248 |
2963.2 |
-31.3 |
0.451 |
64 |
5 |
0 |
0.542 |
2 |
|
C |
247 |
43 |
5439 |
◊ |
A |
x,y,z |
1_555 |
342 |
86 |
11012 |
2947.3 |
-32.9 |
0.399 |
59 |
5 |
0 |
0.542 |
| Average: |
2955.2 |
-32.1 |
0.425 |
62 |
5 |
0 |
0.542 |
| 2 |
3 |
|
A |
84 |
22 |
11012 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
85 |
22 |
11012 |
729.1 |
5.4 |
0.956 |
10 |
0 |
0 |
0.000 |
4 |
|
B |
70 |
21 |
11248 |
◊ |
B |
x,-y+1,-z |
3_565 |
70 |
21 |
11248 |
641.0 |
3.9 |
0.917 |
8 |
0 |
0 |
0.000 |
| Average: |
685.1 |
4.7 |
0.937 |
9 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
59 |
19 |
11248 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
59 |
18 |
11012 |
582.7 |
-6.5 |
0.285 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
54 |
18 |
11248 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
11012 |
544.5 |
-6.0 |
0.282 |
1 |
0 |
0 |
0.000 |
| Average: |
563.6 |
-6.2 |
0.283 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[1UT]A:1204 |
20 |
1 |
475 |
f |
A |
x,y,z |
1_555 |
55 |
18 |
11012 |
330.5 |
-6.7 |
0.494 |
2 |
0 |
0 |
0.075 |
8 |
|
[1UT]B:1204 |
19 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
54 |
18 |
11248 |
328.4 |
-7.5 |
0.386 |
2 |
0 |
0 |
0.075 |
| Average: |
329.4 |
-7.1 |
0.440 |
2 |
0 |
0 |
0.075 |
| 5 |
9 |
|
D |
26 |
8 |
5382 |
◊ |
D |
x,-y+1,-z |
3_565 |
26 |
8 |
5382 |
300.2 |
-0.8 |
0.800 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
18 |
8 |
5439 |
◊ |
C |
-x,y,-z-1/2 |
4_554 |
18 |
8 |
5439 |
138.6 |
0.7 |
0.856 |
2 |
0 |
0 |
0.000 |
| Average: |
219.4 |
-0.0 |
0.828 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
15 |
7 |
5439 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
18 |
5 |
11012 |
151.1 |
-1.9 |
0.420 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
14 |
7 |
5382 |
◊ |
B |
x,-y+1,-z |
3_565 |
16 |
6 |
11248 |
149.4 |
-1.8 |
0.365 |
0 |
0 |
0 |
0.000 |
| Average: |
150.2 |
-1.8 |
0.393 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[SO4]B:1202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11248 |
112.2 |
-18.2 |
0.692 |
7 |
0 |
0 |
0.190 |
| 8 |
14 |
|
[SO4]A:1202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11012 |
100.5 |
-15.3 |
0.843 |
6 |
0 |
0 |
0.163 |
| 9 |
15 |
|
B |
10 |
5 |
11248 |
◊ |
C |
x-1/2,y+1/2,z |
5_455 |
5 |
3 |
5439 |
91.6 |
-1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
7 |
3 |
5382 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11012 |
77.4 |
-0.8 |
0.505 |
0 |
0 |
0 |
0.000 |
| Average: |
84.5 |
-1.0 |
0.445 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
B |
9 |
3 |
11248 |
◊ |
B |
-x,y,-z-1/2 |
4_554 |
9 |
3 |
11248 |
83.3 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[GOL]C:1201 |
6 |
1 |
222 |
◊ |
[GOL]C:1201 |
-x,y,-z-1/2 |
4_554 |
6 |
1 |
222 |
76.4 |
-0.8 |
0.424 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[SO4]A:1203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11012 |
73.7 |
-8.9 |
0.913 |
3 |
0 |
0 |
0.093 |
| 13 |
20 |
|
A |
11 |
4 |
11012 |
◊ |
A |
x,-y,-z |
3_555 |
11 |
4 |
11012 |
72.9 |
1.4 |
0.843 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[SO4]B:1203 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
5382 |
71.5 |
-10.1 |
0.802 |
1 |
0 |
0 |
0.100 |
| 15 |
22 |
|
[SO4]B:1203 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11248 |
71.5 |
-8.3 |
0.908 |
3 |
0 |
0 |
0.086 |
| 16 |
23 |
|
[GOL]C:1201 |
4 |
1 |
222 |
◊ |
C |
-x,y,-z-1/2 |
4_554 |
16 |
5 |
5439 |
66.3 |
-0.5 |
0.596 |
2 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[GOL]C:1201 |
5 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
5439 |
66.0 |
-0.1 |
0.695 |
3 |
0 |
0 |
0.100 |
| 18 |
25 |
|
[SO4]A:1203 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
5439 |
65.9 |
-9.5 |
0.794 |
1 |
0 |
0 |
0.090 |
| 19 |
26 |
|
C |
3 |
1 |
5439 |
◊ |
B |
-x,y,-z-1/2 |
4_554 |
9 |
3 |
11248 |
63.0 |
-1.4 |
0.208 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
3 |
1 |
5382 |
◊ |
A |
x-1/2,-y+1/2,-z |
7_455 |
6 |
2 |
11012 |
57.2 |
-1.7 |
0.166 |
0 |
0 |
0 |
0.000 |
| Average: |
60.1 |
-1.6 |
0.187 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
C |
3 |
1 |
5439 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11248 |
52.6 |
-0.7 |
0.341 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
2 |
1 |
5382 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
7 |
2 |
11012 |
41.7 |
-0.6 |
0.317 |
0 |
0 |
0 |
0.000 |
| Average: |
47.2 |
-0.6 |
0.329 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
7 |
2 |
11248 |
◊ |
A |
x-1/2,-y+1/2,-z |
7_455 |
5 |
2 |
11012 |
38.9 |
0.6 |
0.785 |
1 |
1 |
0 |
0.000 |
| 22 |
31 |
|
[1UT]A:1204 |
2 |
1 |
475 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
5439 |
38.7 |
0.2 |
0.781 |
0 |
0 |
0 |
0.000 |
32 |
|
[1UT]B:1204 |
2 |
1 |
471 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
5382 |
37.1 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
| Average: |
37.9 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
B |
2 |
1 |
11248 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
4 |
1 |
11012 |
31.0 |
0.5 |
0.805 |
1 |
1 |
0 |
0.000 |
| 24 |
34 |
|
[SO4]A:1202 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5439 |
30.7 |
-3.6 |
0.864 |
0 |
0 |
0 |
0.032 |
| 25 |
35 |
|
[SO4]B:1202 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5382 |
16.0 |
-1.8 |
0.863 |
0 |
0 |
0 |
0.016 |
| 26 |
36 |
|
[SO4]B:1202 |
1 |
1 |
185 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
11012 |
7.6 |
-0.8 |
0.801 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[SO4]A:1202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11248 |
6.8 |
-0.8 |
0.794 |
0 |
0 |
0 |
0.000 |
|