| ## |
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 |
131 |
38 |
13106 |
◊ |
A |
x,y,z |
1_555 |
118 |
32 |
12608 |
1193.6 |
-16.7 |
0.152 |
12 |
1 |
0 |
0.474 |
2 |
|
C |
100 |
26 |
13106 |
◊ |
B |
x,y,z |
1_555 |
123 |
36 |
12413 |
1053.4 |
-13.5 |
0.217 |
15 |
2 |
0 |
0.474 |
3 |
|
E |
98 |
25 |
12398 |
◊ |
D |
x,y,z |
1_555 |
118 |
35 |
12966 |
1040.1 |
-13.2 |
0.173 |
13 |
1 |
0 |
0.474 |
4 |
|
F |
123 |
35 |
12672 |
◊ |
D |
x,y,z |
1_555 |
99 |
26 |
12966 |
1022.7 |
-14.0 |
0.196 |
14 |
2 |
0 |
0.474 |
5 |
|
F |
95 |
24 |
12672 |
◊ |
E |
x,y,z |
1_555 |
118 |
34 |
12398 |
1015.1 |
-14.0 |
0.120 |
14 |
2 |
0 |
0.474 |
6 |
|
B |
94 |
24 |
12413 |
◊ |
A |
x,y,z |
1_555 |
117 |
34 |
12608 |
1012.1 |
-11.7 |
0.229 |
13 |
4 |
0 |
0.474 |
| Average: |
1056.2 |
-13.9 |
0.181 |
14 |
2 |
0 |
0.474 |
| 2 |
7 |
|
C |
53 |
16 |
13106 |
◊ |
F |
x-1,y,z |
1_455 |
63 |
19 |
12672 |
558.1 |
-5.5 |
0.372 |
4 |
7 |
0 |
0.000 |
8 |
|
B |
60 |
19 |
12413 |
◊ |
D |
x-1,y-1,z |
1_445 |
48 |
16 |
12966 |
534.1 |
-5.9 |
0.300 |
3 |
6 |
0 |
0.000 |
| Average: |
546.1 |
-5.7 |
0.336 |
4 |
7 |
0 |
0.000 |
| 3 |
9 |
|
C |
38 |
10 |
13106 |
x |
C |
-x,y-1/2,-z |
2_545 |
35 |
10 |
13106 |
295.9 |
-2.3 |
0.525 |
1 |
0 |
0 |
0.000 |
| 4 |
10 |
|
E |
24 |
7 |
12398 |
x |
E |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
13 |
12398 |
257.9 |
0.6 |
0.635 |
3 |
0 |
0 |
0.000 |
11 |
|
A |
24 |
8 |
12608 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
28 |
12 |
12608 |
256.8 |
-0.2 |
0.657 |
3 |
0 |
0 |
0.000 |
| Average: |
257.4 |
0.2 |
0.646 |
3 |
0 |
0 |
0.000 |
| 5 |
12 |
|
[TBN]F:301 |
19 |
1 |
412 |
f |
F |
x,y,z |
1_555 |
42 |
18 |
12672 |
252.8 |
2.1 |
0.471 |
4 |
0 |
0 |
0.000 |
13 |
|
[TBN]C:301 |
19 |
1 |
411 |
f |
C |
x,y,z |
1_555 |
42 |
18 |
13106 |
248.7 |
1.9 |
0.479 |
4 |
0 |
0 |
0.000 |
14 |
|
[TBN]B:301 |
19 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
42 |
18 |
12413 |
248.4 |
2.1 |
0.474 |
3 |
0 |
0 |
0.000 |
15 |
|
[TBN]A:301 |
19 |
1 |
420 |
f |
A |
x,y,z |
1_555 |
46 |
22 |
12608 |
246.1 |
1.5 |
0.420 |
3 |
0 |
0 |
0.000 |
16 |
|
[TBN]E:301 |
19 |
1 |
411 |
f |
E |
x,y,z |
1_555 |
41 |
18 |
12398 |
243.8 |
2.4 |
0.517 |
4 |
0 |
0 |
0.000 |
| Average: |
247.9 |
2.0 |
0.472 |
4 |
0 |
0 |
0.000 |
| 6 |
17 |
|
[TBN]D:301 |
19 |
1 |
410 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
12966 |
247.7 |
2.4 |
0.523 |
4 |
0 |
0 |
0.000 |
| 7 |
18 |
|
F |
19 |
6 |
12672 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
12608 |
187.7 |
-1.3 |
0.583 |
1 |
1 |
0 |
0.000 |
| 8 |
19 |
|
D |
18 |
5 |
12966 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
25 |
5 |
12966 |
155.2 |
-0.7 |
0.499 |
0 |
0 |
0 |
0.000 |
| 9 |
20 |
|
B |
8 |
3 |
12413 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
6 |
13106 |
99.4 |
-1.4 |
0.443 |
0 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
12 |
12413 |
86.6 |
-14.7 |
0.809 |
7 |
0 |
0 |
0.139 |
| 11 |
22 |
|
[SO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
12608 |
85.7 |
-14.4 |
0.825 |
7 |
0 |
0 |
0.137 |
| 12 |
23 |
|
[SO4]F:302 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
11 |
12672 |
85.6 |
-14.8 |
0.804 |
7 |
0 |
0 |
0.141 |
| 13 |
24 |
|
[SO4]D:302 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
11 |
12966 |
84.7 |
-14.6 |
0.805 |
7 |
0 |
0 |
0.140 |
| 14 |
25 |
|
[SO4]E:302 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
17 |
10 |
12398 |
83.7 |
-14.3 |
0.804 |
7 |
0 |
0 |
0.137 |
| 15 |
26 |
|
[SO4]C:302 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
12 |
13106 |
83.4 |
-14.3 |
0.805 |
7 |
0 |
0 |
0.136 |
| 16 |
27 |
|
B |
8 |
5 |
12413 |
◊ |
E |
x,y-1,z |
1_545 |
10 |
4 |
12398 |
59.9 |
1.0 |
0.843 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[TBN]C:301 |
6 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
12413 |
58.4 |
0.6 |
0.427 |
2 |
0 |
0 |
0.000 |
29 |
|
[TBN]E:301 |
5 |
1 |
411 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
12966 |
57.1 |
1.2 |
0.615 |
1 |
0 |
0 |
0.000 |
30 |
|
[TBN]B:301 |
6 |
1 |
409 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
12608 |
54.2 |
1.4 |
0.612 |
0 |
0 |
0 |
0.000 |
31 |
|
[TBN]D:301 |
5 |
1 |
410 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
12672 |
53.9 |
1.0 |
0.565 |
1 |
0 |
0 |
0.000 |
32 |
|
[TBN]A:301 |
4 |
1 |
420 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
13106 |
50.3 |
1.0 |
0.594 |
2 |
0 |
0 |
0.000 |
33 |
|
[TBN]F:301 |
4 |
1 |
412 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
12398 |
47.9 |
0.9 |
0.566 |
1 |
0 |
0 |
0.000 |
| Average: |
53.6 |
1.0 |
0.563 |
1 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[SO4]F:302 |
4 |
1 |
185 |
f |
[TBN]F:301 |
x,y,z |
1_555 |
5 |
1 |
412 |
41.9 |
-5.5 |
0.370 |
0 |
0 |
0 |
0.044 |
| 19 |
35 |
|
[SO4]C:302 |
4 |
1 |
186 |
f |
[TBN]C:301 |
x,y,z |
1_555 |
5 |
1 |
411 |
41.4 |
-5.5 |
0.370 |
0 |
0 |
0 |
0.043 |
| 20 |
36 |
|
[SO4]A:302 |
4 |
1 |
187 |
f |
[TBN]A:301 |
x,y,z |
1_555 |
5 |
1 |
420 |
41.0 |
-5.3 |
0.385 |
0 |
0 |
0 |
0.041 |
| 21 |
37 |
|
[SO4]E:302 |
4 |
1 |
185 |
f |
[TBN]E:301 |
x,y,z |
1_555 |
5 |
1 |
411 |
40.8 |
-5.5 |
0.375 |
0 |
0 |
0 |
0.043 |
| 22 |
38 |
|
[SO4]D:302 |
4 |
1 |
184 |
f |
[TBN]D:301 |
x,y,z |
1_555 |
5 |
1 |
410 |
40.8 |
-5.5 |
0.371 |
0 |
0 |
0 |
0.043 |
| 23 |
39 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
[TBN]B:301 |
x,y,z |
1_555 |
5 |
1 |
409 |
40.7 |
-5.5 |
0.375 |
0 |
0 |
0 |
0.043 |
| 24 |
40 |
|
F |
2 |
1 |
12672 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
12966 |
38.9 |
-1.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 25 |
41 |
|
C |
3 |
2 |
13106 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
12672 |
21.0 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
| 26 |
42 |
|
A |
2 |
1 |
12608 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12672 |
9.6 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
| 27 |
43 |
|
[SO4]E:302 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12966 |
4.5 |
-0.4 |
0.812 |
0 |
0 |
0 |
0.003 |
| 28 |
44 |
|
[SO4]C:302 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12413 |
4.4 |
-0.4 |
0.791 |
0 |
0 |
0 |
0.003 |
| 29 |
45 |
|
B |
2 |
1 |
12413 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
12398 |
2.9 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[SO4]A:302 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13106 |
2.0 |
-0.2 |
0.863 |
0 |
0 |
0 |
0.001 |
|