| ## |
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 |
83 |
28 |
14644 |
◊ |
A |
x,y,z |
1_555 |
94 |
30 |
14801 |
821.5 |
-12.5 |
0.036 |
1 |
1 |
0 |
0.099 |
| 2 |
2 |
|
A |
71 |
25 |
14801 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
86 |
25 |
14644 |
740.4 |
-6.4 |
0.166 |
9 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
59 |
20 |
14801 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
73 |
23 |
14644 |
556.1 |
-3.8 |
0.357 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
52 |
15 |
14644 |
x |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
43 |
13 |
14644 |
464.3 |
-1.3 |
0.477 |
3 |
1 |
0 |
0.000 |
| 5 |
5 |
|
[F12]B:1001 |
12 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
39 |
15 |
14644 |
201.2 |
1.3 |
0.556 |
7 |
0 |
0 |
0.112 |
| 6 |
6 |
|
A |
19 |
8 |
14801 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
26 |
8 |
14801 |
192.6 |
-1.3 |
0.309 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[F12]A:1009 |
12 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
14801 |
159.0 |
0.1 |
0.436 |
3 |
0 |
0 |
0.018 |
| 8 |
8 |
|
[F12]B:1006 |
11 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14644 |
156.3 |
0.3 |
0.440 |
2 |
0 |
0 |
0.037 |
| 9 |
9 |
|
B |
18 |
8 |
14644 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
20 |
6 |
14801 |
154.3 |
-0.9 |
0.448 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[F12]B:1002 |
12 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
14644 |
148.9 |
-0.3 |
0.347 |
1 |
0 |
0 |
0.046 |
| 11 |
11 |
|
[F12]B:1005 |
12 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
14644 |
146.6 |
1.0 |
0.489 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[F12]A:1004 |
12 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
14801 |
143.3 |
-0.3 |
0.368 |
1 |
0 |
0 |
0.010 |
| 13 |
13 |
|
[F12]B:1002 |
12 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
14801 |
142.0 |
0.5 |
0.406 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
A |
23 |
8 |
14801 |
f |
[F12]B:1008 |
x-1/2,y+1/2,z |
3_455 |
12 |
1 |
324 |
141.5 |
-0.8 |
0.317 |
1 |
0 |
0 |
0.018 |
| 15 |
15 |
|
B |
21 |
10 |
14644 |
◊ |
A |
-x+1,y,-z |
2_655 |
21 |
11 |
14801 |
135.2 |
1.3 |
0.780 |
1 |
1 |
0 |
0.000 |
| 16 |
16 |
|
[F12]B:1008 |
12 |
1 |
324 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
14644 |
130.0 |
1.5 |
0.525 |
1 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[F12]B:1003 |
12 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14644 |
129.3 |
-1.2 |
0.229 |
0 |
0 |
0 |
0.073 |
| 18 |
18 |
|
[K]B:2001 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
14644 |
90.8 |
-55.4 |
0.000 |
0 |
0 |
0 |
0.837 |
19 |
|
[K]B:2001 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
14801 |
89.9 |
-54.6 |
0.000 |
0 |
0 |
0 |
0.837 |
| Average: |
90.4 |
-55.0 |
0.000 |
0 |
0 |
0 |
0.837 |
| 19 |
20 |
|
[F12]B:1006 |
11 |
1 |
328 |
f |
[F12]B:1001 |
x,y,z |
1_555 |
11 |
1 |
328 |
74.7 |
0.4 |
0.313 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[F12]A:1004 |
12 |
1 |
328 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
7 |
2 |
14644 |
74.1 |
-0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
A |
6 |
3 |
14801 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
7 |
3 |
14801 |
72.9 |
1.0 |
0.829 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
A |
13 |
5 |
14801 |
◊ |
[F12]B:1003 |
x-1/2,y-1/2,z |
3_445 |
9 |
1 |
330 |
62.2 |
-0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[PO4]B:2002 |
4 |
1 |
189 |
◊ |
A |
-x+1,y,-z |
2_655 |
5 |
2 |
14801 |
45.3 |
-1.2 |
0.952 |
1 |
0 |
0 |
0.000 |
| 24 |
25 |
|
A |
4 |
2 |
14801 |
f |
[PO4]B:2002 |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
189 |
43.4 |
-2.3 |
0.687 |
1 |
0 |
0 |
0.040 |
| 25 |
26 |
|
[F12]B:1006 |
3 |
1 |
328 |
f |
[F12]B:1003 |
x,y,z |
1_555 |
5 |
1 |
330 |
40.9 |
2.2 |
0.621 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[F12]B:1005 |
6 |
1 |
326 |
f |
A |
-x+1,y,-z |
2_655 |
5 |
2 |
14801 |
38.7 |
-1.0 |
0.279 |
0 |
0 |
0 |
0.014 |
| 27 |
28 |
|
[PO4]B:2002 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14644 |
37.3 |
-1.2 |
0.942 |
1 |
0 |
0 |
0.000 |
| 28 |
29 |
|
A |
2 |
1 |
14801 |
◊ |
[F12]B:1005 |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
326 |
17.1 |
-0.4 |
0.267 |
0 |
0 |
0 |
0.000 |
|