| ## |
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 |
73 |
23 |
6455 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
74 |
24 |
6563 |
675.7 |
-1.8 |
0.489 |
10 |
0 |
0 |
0.000 |
2 |
|
C |
74 |
23 |
6697 |
◊ |
A |
x,y,z |
1_555 |
74 |
23 |
6501 |
636.7 |
-1.3 |
0.575 |
14 |
0 |
0 |
0.000 |
| Average: |
656.2 |
-1.6 |
0.532 |
12 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
44 |
13 |
6455 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
6501 |
404.1 |
-1.1 |
0.482 |
9 |
0 |
0 |
0.000 |
4 |
|
A |
47 |
12 |
6501 |
◊ |
B |
x,y-1,z |
1_545 |
41 |
14 |
6455 |
377.9 |
-0.5 |
0.549 |
9 |
0 |
0 |
0.000 |
| Average: |
391.0 |
-0.8 |
0.516 |
9 |
0 |
0 |
0.000 |
| 3 |
5 |
|
D |
37 |
14 |
6563 |
◊ |
C |
x,y,z |
1_555 |
43 |
17 |
6697 |
387.1 |
-0.8 |
0.512 |
7 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[HCY]C:201 |
22 |
1 |
516 |
f |
C |
x,y,z |
1_555 |
57 |
17 |
6697 |
342.2 |
3.0 |
0.452 |
1 |
0 |
0 |
0.000 |
7 |
|
[HCY]B:201 |
21 |
1 |
514 |
f |
B |
x,y,z |
1_555 |
56 |
18 |
6455 |
340.9 |
3.6 |
0.440 |
1 |
0 |
0 |
0.000 |
8 |
|
[HCY]A:201 |
22 |
1 |
517 |
f |
A |
x,y,z |
1_555 |
58 |
18 |
6501 |
337.0 |
3.3 |
0.460 |
2 |
0 |
0 |
0.000 |
9 |
|
[HCY]D:201 |
23 |
1 |
516 |
f |
D |
x,y,z |
1_555 |
58 |
18 |
6563 |
331.4 |
3.7 |
0.480 |
1 |
0 |
0 |
0.000 |
| Average: |
337.9 |
3.4 |
0.458 |
1 |
0 |
0 |
0.000 |
| 5 |
10 |
|
D |
33 |
10 |
6563 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
35 |
12 |
6455 |
303.8 |
-1.4 |
0.434 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
34 |
10 |
6501 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
35 |
10 |
6697 |
295.7 |
-4.0 |
0.223 |
0 |
0 |
0 |
0.000 |
| Average: |
299.8 |
-2.7 |
0.329 |
0 |
0 |
0 |
0.000 |
| 6 |
12 |
|
D |
25 |
6 |
6563 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
6455 |
220.3 |
0.3 |
0.616 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
C |
25 |
8 |
6697 |
◊ |
C |
-x+1,y,-z |
2_655 |
25 |
8 |
6697 |
212.2 |
0.8 |
0.704 |
5 |
0 |
0 |
0.000 |
| 8 |
14 |
|
A |
21 |
5 |
6501 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
20 |
7 |
6697 |
169.2 |
-3.5 |
0.152 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
18 |
6 |
6501 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
22 |
8 |
6697 |
167.6 |
1.8 |
0.732 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
B |
13 |
4 |
6455 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
6455 |
127.2 |
4.4 |
0.956 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
6563 |
102.4 |
-14.9 |
0.695 |
2 |
0 |
0 |
0.126 |
| 12 |
18 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
6697 |
100.2 |
-14.1 |
0.804 |
3 |
0 |
0 |
0.120 |
| 13 |
19 |
|
D |
7 |
2 |
6563 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
6563 |
87.4 |
-0.6 |
0.432 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
D |
5 |
1 |
6563 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
6455 |
78.7 |
-1.8 |
0.148 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
A |
7 |
2 |
6501 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
2 |
6501 |
69.2 |
4.2 |
0.978 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
A |
5 |
2 |
6501 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
6563 |
48.4 |
0.4 |
0.603 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
C |
4 |
2 |
6697 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6455 |
37.0 |
0.4 |
0.668 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
A |
4 |
2 |
6501 |
◊ |
[SO4]C:202 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
184 |
28.8 |
-3.8 |
0.511 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[SO4]D:202 |
3 |
1 |
185 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
6455 |
18.0 |
-1.9 |
0.878 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
D |
3 |
1 |
6563 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
6455 |
13.6 |
0.7 |
0.839 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
D |
1 |
1 |
6563 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6501 |
5.5 |
-0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
A |
1 |
1 |
6501 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
6501 |
2.6 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
1 |
1 |
6455 |
x |
B |
x,y-1,z |
1_545 |
1 |
1 |
6455 |
0.3 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| Average: |
1.5 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
|