| ## |
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 |
|
[B12]B:503 |
75 |
1 |
1430 |
◊ |
B |
x,y,z |
1_555 |
122 |
48 |
17515 |
1025.3 |
-6.4 |
0.614 |
24 |
0 |
0 |
0.255 |
2 |
|
[B12]A:503 |
72 |
1 |
1431 |
◊ |
A |
x,y,z |
1_555 |
120 |
47 |
17498 |
1013.9 |
-7.0 |
0.574 |
24 |
0 |
0 |
0.255 |
| Average: |
1019.6 |
-6.7 |
0.594 |
24 |
0 |
0 |
0.255 |
| 2 |
3 |
|
B |
69 |
19 |
17515 |
◊ |
A |
x,y,z |
1_555 |
70 |
20 |
17498 |
664.4 |
-4.6 |
0.340 |
7 |
6 |
0 |
0.000 |
| 3 |
4 |
|
A |
60 |
18 |
17498 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
64 |
15 |
17498 |
568.8 |
-3.5 |
0.383 |
4 |
3 |
0 |
0.000 |
5 |
|
B |
62 |
16 |
17515 |
x |
B |
-x,y-1/2,-z |
2_545 |
60 |
18 |
17515 |
563.0 |
-4.3 |
0.330 |
4 |
2 |
0 |
0.000 |
| Average: |
565.9 |
-3.9 |
0.356 |
4 |
3 |
0 |
0.000 |
| 4 |
6 |
|
F |
63 |
10 |
3107 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
17498 |
517.4 |
-9.2 |
0.701 |
11 |
0 |
0 |
0.205 |
| 5 |
7 |
|
F |
60 |
9 |
3107 |
◊ |
A |
x-1,y,z |
1_455 |
51 |
17 |
17498 |
414.4 |
-4.5 |
0.851 |
5 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[56B]F:34 |
24 |
1 |
657 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
17498 |
279.7 |
-1.1 |
0.341 |
2 |
0 |
0 |
0.029 |
| 7 |
9 |
|
[SF4]B:501 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
17515 |
187.6 |
-21.6 |
0.325 |
0 |
0 |
0 |
0.323 |
10 |
|
[SF4]A:501 |
8 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
17498 |
186.5 |
-21.5 |
0.330 |
0 |
0 |
0 |
0.323 |
| Average: |
187.0 |
-21.6 |
0.327 |
0 |
0 |
0 |
0.323 |
| 8 |
11 |
|
[SF4]B:502 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
17515 |
166.7 |
-18.8 |
0.181 |
1 |
0 |
0 |
0.287 |
12 |
|
[SF4]A:502 |
8 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
17498 |
166.6 |
-18.9 |
0.157 |
2 |
0 |
0 |
0.287 |
| Average: |
166.7 |
-18.9 |
0.169 |
2 |
0 |
0 |
0.287 |
| 9 |
13 |
|
B |
21 |
8 |
17515 |
x |
B |
x-1,y,z |
1_455 |
18 |
6 |
17515 |
156.3 |
1.8 |
0.810 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[56B]F:34 |
16 |
1 |
657 |
cf |
F |
x,y,z |
1_555 |
17 |
3 |
3107 |
152.0 |
-1.5 |
0.610 |
2 |
0 |
0 |
0.100 |
| 11 |
15 |
|
[GOL]A:505 |
6 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
3107 |
90.4 |
-0.5 |
0.655 |
1 |
0 |
0 |
0.014 |
| 12 |
16 |
|
[GOL]A:505 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17498 |
90.3 |
-0.3 |
0.579 |
3 |
0 |
0 |
0.024 |
| 13 |
17 |
|
[PO4]A:504 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17498 |
89.9 |
-5.5 |
0.758 |
2 |
0 |
0 |
0.093 |
| 14 |
18 |
|
[PO4]B:504 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
17515 |
89.5 |
-5.1 |
0.784 |
2 |
0 |
0 |
0.090 |
| 15 |
19 |
|
[56B]F:34 |
7 |
1 |
657 |
◊ |
[B12]A:503 |
x,y,z |
1_555 |
21 |
1 |
1431 |
87.4 |
-1.1 |
0.583 |
0 |
0 |
0 |
0.012 |
| 16 |
20 |
|
B |
12 |
3 |
17515 |
◊ |
[PO4]B:504 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
189 |
63.9 |
-2.9 |
0.851 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[PO4]A:504 |
4 |
1 |
187 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
3 |
17498 |
59.8 |
-2.7 |
0.853 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[B12]B:503 |
11 |
1 |
1430 |
◊ |
[SF4]B:502 |
x,y,z |
1_555 |
4 |
1 |
306 |
53.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.046 |
23 |
|
[B12]A:503 |
10 |
1 |
1431 |
◊ |
[SF4]A:502 |
x,y,z |
1_555 |
4 |
1 |
306 |
53.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
53.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.046 |
| 19 |
24 |
|
[B12]B:503 |
2 |
1 |
1430 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17498 |
46.6 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
25 |
|
[B12]A:503 |
2 |
1 |
1431 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17515 |
45.6 |
-0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
| Average: |
46.1 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
A |
5 |
3 |
17498 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
3 |
17515 |
34.0 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
|