| ## |
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 |
|
D |
113 |
37 |
7098 |
◊ |
B |
x,y,z |
1_555 |
89 |
16 |
5744 |
1097.7 |
-13.0 |
0.252 |
21 |
4 |
0 |
0.714 |
| 2 |
2 |
|
C |
115 |
37 |
6657 |
◊ |
A |
x,y,z |
1_555 |
88 |
16 |
6023 |
1090.6 |
-13.0 |
0.274 |
21 |
4 |
0 |
0.456 |
| 3 |
3 |
|
B |
88 |
19 |
5744 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
80 |
19 |
6023 |
841.8 |
-10.4 |
0.350 |
6 |
5 |
0 |
0.485 |
| 4 |
4 |
|
D |
63 |
19 |
7098 |
◊ |
B |
-x-1/2,y,-z |
7_455 |
66 |
14 |
5744 |
637.3 |
-9.8 |
0.186 |
6 |
1 |
0 |
0.429 |
| 5 |
5 |
|
D |
64 |
14 |
7098 |
◊ |
D |
-x-1,-y-1/2,z |
6_445 |
64 |
14 |
7098 |
634.4 |
-5.7 |
0.436 |
8 |
0 |
0 |
0.050 |
| 6 |
6 |
|
C |
59 |
18 |
6657 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
69 |
15 |
6023 |
631.7 |
-10.5 |
0.158 |
4 |
1 |
0 |
0.286 |
| 7 |
7 |
|
C |
64 |
16 |
6657 |
◊ |
C |
-x-1,-y-1/2,z |
6_445 |
64 |
16 |
6657 |
528.3 |
-0.3 |
0.762 |
6 |
0 |
0 |
0.001 |
| 8 |
8 |
|
D |
33 |
8 |
7098 |
◊ |
C |
x,y,z |
1_555 |
35 |
7 |
6657 |
339.5 |
-0.3 |
0.697 |
2 |
2 |
0 |
0.015 |
| 9 |
9 |
|
D |
33 |
7 |
7098 |
◊ |
D |
-x-1,-y+1/2,z |
6_455 |
33 |
7 |
7098 |
324.6 |
-1.3 |
0.630 |
6 |
4 |
0 |
0.110 |
10 |
|
C |
35 |
7 |
6657 |
◊ |
C |
-x,-y-1/2,z |
6_545 |
35 |
7 |
6657 |
312.1 |
-1.5 |
0.603 |
8 |
4 |
0 |
0.110 |
| Average: |
318.4 |
-1.4 |
0.617 |
7 |
4 |
0 |
0.110 |
| 10 |
11 |
|
A |
30 |
6 |
6023 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
30 |
6 |
6023 |
253.4 |
0.5 |
0.759 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
B |
21 |
6 |
5744 |
◊ |
B |
-x-1/2,y,-z |
7_455 |
22 |
7 |
5744 |
220.8 |
-2.3 |
0.448 |
0 |
0 |
0 |
0.022 |
| 12 |
13 |
|
D |
24 |
7 |
7098 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
24 |
6 |
6023 |
218.3 |
-4.0 |
0.306 |
2 |
0 |
0 |
0.050 |
| 13 |
14 |
|
[B8E]C:501 |
16 |
1 |
463 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
6657 |
197.9 |
-4.1 |
0.463 |
0 |
0 |
0 |
0.141 |
15 |
|
[B8E]D:501 |
16 |
1 |
461 |
◊ |
D |
x,y,z |
1_555 |
22 |
9 |
7098 |
195.5 |
-4.2 |
0.464 |
0 |
0 |
0 |
0.141 |
| Average: |
196.7 |
-4.1 |
0.464 |
0 |
0 |
0 |
0.141 |
| 14 |
16 |
|
C |
22 |
6 |
6657 |
◊ |
B |
-x-1/2,y,-z |
7_455 |
23 |
6 |
5744 |
195.8 |
-4.1 |
0.259 |
2 |
0 |
0 |
0.050 |
| 15 |
17 |
|
[B8E]C:501 |
11 |
1 |
463 |
f |
A |
x,-y,-z+1/2 |
8_555 |
13 |
5 |
6023 |
136.6 |
-4.7 |
0.340 |
0 |
0 |
0 |
0.165 |
| 16 |
18 |
|
[B8E]D:501 |
12 |
1 |
461 |
f |
B |
-x-1/2,y,-z |
7_455 |
14 |
5 |
5744 |
128.3 |
-4.6 |
0.387 |
0 |
0 |
0 |
0.160 |
| 17 |
19 |
|
D |
15 |
5 |
7098 |
◊ |
C |
-x-1,-y-1/2,z |
6_445 |
14 |
3 |
6657 |
117.9 |
0.6 |
0.684 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[PO4]C:502 |
5 |
1 |
186 |
f |
[PO4]C:502 |
-x,-y-1/2,z |
6_545 |
5 |
1 |
186 |
74.8 |
-6.2 |
0.942 |
0 |
0 |
0 |
0.122 |
| 19 |
21 |
|
[PO4]B:301 |
5 |
1 |
193 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
5744 |
69.4 |
-3.5 |
0.807 |
0 |
0 |
0 |
0.118 |
| 20 |
22 |
|
[PO4]A:301 |
4 |
1 |
193 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
6023 |
65.7 |
-3.4 |
0.832 |
1 |
0 |
0 |
0.088 |
| 21 |
23 |
|
[PO4]B:301 |
4 |
1 |
193 |
f |
D |
-x-1/2,y,-z |
7_455 |
10 |
5 |
7098 |
64.3 |
-4.2 |
0.747 |
1 |
0 |
0 |
0.158 |
| 22 |
24 |
|
[PO4]A:301 |
4 |
1 |
193 |
f |
C |
x,-y,-z+1/2 |
8_555 |
10 |
5 |
6657 |
63.4 |
-4.0 |
0.745 |
1 |
0 |
0 |
0.175 |
| 23 |
25 |
|
[NA]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6657 |
61.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.334 |
| 24 |
26 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6023 |
52.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.191 |
| 25 |
27 |
|
[PO4]C:502 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
6657 |
50.2 |
-2.4 |
0.852 |
2 |
0 |
0 |
0.128 |
| 26 |
28 |
|
[PO4]C:502 |
4 |
1 |
186 |
◊ |
C |
-x,-y-1/2,z |
6_545 |
6 |
3 |
6657 |
47.4 |
-2.4 |
0.860 |
2 |
0 |
0 |
0.130 |
| 27 |
29 |
|
[B8E]D:501 |
3 |
1 |
461 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6657 |
44.2 |
-0.7 |
0.607 |
0 |
0 |
0 |
0.010 |
30 |
|
[B8E]C:501 |
4 |
1 |
463 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7098 |
38.6 |
-0.3 |
0.648 |
0 |
0 |
0 |
0.010 |
| Average: |
41.4 |
-0.5 |
0.627 |
0 |
0 |
0 |
0.010 |
| 28 |
31 |
|
B |
5 |
1 |
5744 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
3 |
1 |
6023 |
32.8 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.003 |
| 29 |
32 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6657 |
28.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.054 |
| 30 |
33 |
|
[B8E]D:501 |
3 |
1 |
461 |
◊ |
D |
-x-1,-y-1/2,z |
6_445 |
2 |
1 |
7098 |
26.5 |
-0.9 |
0.368 |
0 |
0 |
0 |
0.002 |
| 31 |
34 |
|
[NA]C:503 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6023 |
17.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
| 32 |
35 |
|
D |
3 |
1 |
7098 |
◊ |
B |
-x-1,-y+1/2,z |
6_455 |
1 |
1 |
5744 |
11.9 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
C |
2 |
1 |
6657 |
◊ |
A |
-x,-y-1/2,z |
6_545 |
1 |
1 |
6023 |
11.4 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
B |
2 |
1 |
5744 |
◊ |
B |
-x,-y+1/2,z |
6_555 |
2 |
1 |
5744 |
6.6 |
0.5 |
0.795 |
0 |
0 |
0 |
0.000 |
|