| ## |
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 |
|
E |
66 |
8 |
3196 |
◊ |
B |
x,y,z |
1_555 |
81 |
26 |
7892 |
621.7 |
-1.9 |
0.593 |
13 |
0 |
0 |
0.320 |
| 2 |
2 |
|
C |
67 |
8 |
3176 |
◊ |
A |
x,y,z |
1_555 |
75 |
27 |
7783 |
612.4 |
-2.8 |
0.616 |
15 |
0 |
0 |
0.162 |
| 3 |
3 |
|
F |
53 |
5 |
3141 |
◊ |
B |
x,y,z |
1_555 |
76 |
22 |
7892 |
522.4 |
-3.4 |
0.434 |
5 |
0 |
0 |
0.232 |
| 4 |
4 |
|
D |
58 |
5 |
3141 |
◊ |
A |
x,y,z |
1_555 |
71 |
22 |
7783 |
513.7 |
-3.0 |
0.457 |
6 |
0 |
0 |
0.097 |
| 5 |
5 |
|
F |
44 |
8 |
3141 |
◊ |
E |
x,y,z |
1_555 |
48 |
12 |
3196 |
465.9 |
-5.0 |
0.388 |
24 |
0 |
0 |
1.000 |
| 6 |
6 |
|
D |
41 |
8 |
3141 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
3176 |
456.3 |
-5.8 |
0.348 |
27 |
0 |
0 |
1.000 |
| 7 |
7 |
|
A |
39 |
11 |
7783 |
◊ |
B |
-y+1,x-y+1,z-2/3 |
2_664 |
38 |
9 |
7892 |
330.6 |
-6.1 |
0.160 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
F |
30 |
2 |
3141 |
◊ |
C |
-x+1,-x+y,-z+2/3 |
9_655 |
25 |
2 |
3176 |
249.3 |
5.8 |
0.800 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
E |
25 |
2 |
3196 |
◊ |
D |
-x+1,-x+y,-z+2/3 |
9_655 |
29 |
2 |
3141 |
244.1 |
6.3 |
0.795 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[BRU]D:224 |
18 |
1 |
462 |
cf |
D |
x,y,z |
1_555 |
28 |
2 |
3141 |
240.6 |
2.9 |
0.635 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[BRU]F:224 |
18 |
1 |
456 |
cf |
F |
x,y,z |
1_555 |
29 |
2 |
3141 |
238.7 |
2.8 |
0.636 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
B |
24 |
6 |
7892 |
◊ |
A |
x,x-y+1,-z+2/3 |
12_565 |
27 |
9 |
7783 |
233.8 |
-1.7 |
0.452 |
3 |
0 |
0 |
0.000 |
| 13 |
13 |
|
B |
19 |
6 |
7892 |
◊ |
A |
-x+y,y,-z+1 |
11_556 |
20 |
9 |
7783 |
217.1 |
-4.4 |
0.110 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[BRU]F:221 |
18 |
1 |
456 |
cf |
F |
x,y,z |
1_555 |
23 |
3 |
3141 |
184.1 |
3.6 |
0.677 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[BRU]D:221 |
18 |
1 |
446 |
cf |
D |
x,y,z |
1_555 |
20 |
3 |
3141 |
171.0 |
3.8 |
0.673 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[PED]E:207 |
11 |
1 |
329 |
cf |
B |
x,y,z |
1_555 |
20 |
9 |
7892 |
155.2 |
0.3 |
0.595 |
8 |
0 |
0 |
0.137 |
17 |
|
[PED]C:207 |
10 |
1 |
331 |
cf |
A |
x,y,z |
1_555 |
18 |
9 |
7783 |
152.8 |
-0.1 |
0.621 |
7 |
0 |
0 |
0.137 |
| Average: |
154.0 |
0.1 |
0.608 |
8 |
0 |
0 |
0.137 |
| 17 |
18 |
|
F |
20 |
2 |
3141 |
◊ |
D |
-x+1,-x+y,-z+2/3 |
9_655 |
20 |
2 |
3141 |
146.0 |
0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[BRU]D:221 |
17 |
1 |
446 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
7783 |
142.8 |
-0.3 |
0.500 |
3 |
0 |
0 |
0.039 |
20 |
|
[BRU]F:221 |
17 |
1 |
456 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
7892 |
138.2 |
-0.1 |
0.539 |
2 |
0 |
0 |
0.039 |
| Average: |
140.5 |
-0.2 |
0.520 |
3 |
0 |
0 |
0.039 |
| 19 |
21 |
|
[PED]E:207 |
10 |
1 |
329 |
c |
E |
x,y,z |
1_555 |
22 |
2 |
3196 |
135.7 |
0.5 |
0.561 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[PED]C:207 |
10 |
1 |
331 |
c |
C |
x,y,z |
1_555 |
20 |
2 |
3176 |
133.6 |
1.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
F |
15 |
3 |
3141 |
◊ |
E |
x,x-y+1,-z+2/3 |
12_565 |
13 |
1 |
3196 |
132.8 |
2.0 |
0.646 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[GOL]B:601 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
7892 |
131.9 |
-0.6 |
0.542 |
5 |
0 |
0 |
0.117 |
| 23 |
25 |
|
D |
20 |
2 |
3141 |
◊ |
C |
-x+y,y,-z+1 |
11_556 |
15 |
2 |
3176 |
128.0 |
3.4 |
0.724 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
F |
20 |
2 |
3141 |
◊ |
F |
x,x-y+1,-z+2/3 |
12_565 |
20 |
2 |
3141 |
126.2 |
3.9 |
0.710 |
2 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[GOL]A:602 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
7783 |
123.0 |
-0.9 |
0.495 |
0 |
0 |
0 |
0.015 |
| 26 |
28 |
|
[BRU]F:217 |
14 |
1 |
452 |
cf |
F |
x,y,z |
1_555 |
13 |
1 |
3141 |
122.1 |
1.4 |
0.566 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[BRU]D:218 |
13 |
1 |
457 |
cf |
D |
x,y,z |
1_555 |
13 |
1 |
3141 |
119.9 |
2.9 |
0.657 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[BRU]F:218 |
16 |
1 |
457 |
cf |
F |
x,y,z |
1_555 |
14 |
1 |
3141 |
118.9 |
2.5 |
0.639 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[BRU]F:218 |
12 |
1 |
457 |
cf |
[BRU]F:217 |
x,y,z |
1_555 |
13 |
1 |
452 |
116.2 |
2.1 |
0.602 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
7783 |
115.8 |
-18.8 |
0.604 |
4 |
0 |
0 |
0.352 |
| 31 |
33 |
|
[BRU]D:218 |
13 |
1 |
457 |
cf |
[BRU]D:217 |
x,y,z |
1_555 |
13 |
1 |
450 |
115.1 |
2.2 |
0.589 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[BRU]D:217 |
13 |
1 |
450 |
cf |
D |
x,y,z |
1_555 |
14 |
1 |
3141 |
114.2 |
1.5 |
0.562 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[BRU]D:224 |
7 |
1 |
462 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3176 |
81.5 |
1.3 |
0.596 |
4 |
0 |
0 |
0.094 |
36 |
|
[BRU]F:224 |
8 |
1 |
456 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
3196 |
75.6 |
1.3 |
0.599 |
2 |
0 |
0 |
0.094 |
| Average: |
78.6 |
1.3 |
0.598 |
3 |
0 |
0 |
0.094 |
| 34 |
37 |
|
[BRU]D:217 |
7 |
1 |
450 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
3176 |
78.2 |
1.4 |
0.595 |
3 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[BRU]D:218 |
8 |
1 |
457 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
3176 |
75.8 |
0.6 |
0.547 |
1 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7783 |
73.6 |
-8.6 |
0.967 |
4 |
0 |
0 |
0.178 |
| 37 |
40 |
|
E |
10 |
2 |
3196 |
◊ |
A |
x,x-y+1,-z+2/3 |
12_565 |
10 |
4 |
7783 |
73.3 |
-3.2 |
0.276 |
1 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[BRU]F:217 |
7 |
1 |
452 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
3196 |
69.0 |
1.3 |
0.594 |
3 |
0 |
0 |
0.006 |
| 39 |
42 |
|
[BRU]F:218 |
6 |
1 |
457 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
3196 |
66.7 |
0.5 |
0.536 |
2 |
0 |
0 |
0.115 |
| 40 |
43 |
|
E |
9 |
3 |
3196 |
◊ |
E |
x,x-y+1,-z+2/3 |
12_565 |
9 |
3 |
3196 |
64.2 |
-2.7 |
0.306 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[BRU]F:224 |
6 |
1 |
456 |
◊ |
B |
x,y,z |
1_555 |
8 |
6 |
7892 |
61.8 |
-1.0 |
0.357 |
0 |
0 |
0 |
0.043 |
45 |
|
[BRU]D:224 |
5 |
1 |
462 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
7783 |
61.7 |
-1.0 |
0.403 |
0 |
0 |
0 |
0.043 |
| Average: |
61.8 |
-1.0 |
0.380 |
0 |
0 |
0 |
0.043 |
| 42 |
46 |
|
[BRU]D:221 |
5 |
1 |
446 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
3176 |
60.9 |
0.1 |
0.474 |
1 |
0 |
0 |
0.074 |
| 43 |
47 |
|
[BRU]F:221 |
5 |
1 |
456 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3196 |
57.2 |
0.3 |
0.505 |
1 |
0 |
0 |
0.039 |
| 44 |
48 |
|
E |
7 |
3 |
3196 |
◊ |
C |
-x+1,-x+y,-z+2/3 |
9_655 |
7 |
2 |
3176 |
56.7 |
-1.1 |
0.419 |
0 |
0 |
0 |
0.000 |
| 45 |
49 |
|
D |
5 |
1 |
3141 |
◊ |
D |
-x+y,y,-z+1 |
11_556 |
5 |
1 |
3141 |
37.1 |
0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 46 |
50 |
|
C |
5 |
1 |
3176 |
◊ |
C |
-x+y,y,-z+1 |
11_556 |
5 |
1 |
3176 |
27.7 |
-0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
| 47 |
51 |
|
[BRU]F:217 |
4 |
1 |
452 |
◊ |
E |
x,x-y+1,-z+2/3 |
12_565 |
4 |
1 |
3196 |
24.5 |
1.4 |
0.638 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[GOL]B:601 |
4 |
1 |
217 |
◊ |
A |
-x+y,y,-z+1 |
11_556 |
3 |
3 |
7783 |
22.6 |
-0.4 |
0.480 |
0 |
0 |
0 |
0.000 |
| 49 |
53 |
|
F |
4 |
1 |
3141 |
◊ |
A |
x,x-y+1,-z+2/3 |
12_565 |
5 |
1 |
7783 |
22.2 |
0.2 |
0.478 |
0 |
0 |
0 |
0.000 |
| 50 |
54 |
|
[SO4]A:501 |
4 |
1 |
185 |
◊ |
B |
-x+y,y,-z+1 |
11_556 |
3 |
1 |
7892 |
21.2 |
-2.4 |
0.732 |
0 |
0 |
0 |
0.000 |
| 51 |
55 |
|
[SO4]A:502 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3176 |
11.1 |
-1.6 |
0.552 |
0 |
0 |
0 |
0.027 |
| 52 |
56 |
|
[BRU]D:218 |
1 |
1 |
457 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7783 |
10.6 |
0.2 |
0.486 |
0 |
0 |
0 |
0.000 |
57 |
|
[BRU]F:218 |
1 |
1 |
457 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7892 |
3.2 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
| Average: |
6.9 |
0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
| 53 |
58 |
|
C |
1 |
1 |
3176 |
◊ |
A |
-x+1,-y+2,z |
4_675 |
1 |
1 |
7783 |
4.5 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
| 54 |
59 |
|
D |
1 |
1 |
3141 |
◊ |
E |
x,x-y+1,-z+2/3 |
12_565 |
1 |
1 |
3196 |
2.8 |
-0.1 |
0.306 |
0 |
0 |
0 |
0.000 |
| 55 |
60 |
|
B |
1 |
1 |
7892 |
◊ |
B |
-y+1,-x+1,-z+4/3 |
10_666 |
1 |
1 |
7892 |
1.8 |
0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
|