| ## |
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 |
|
[YNC]C:1000 |
60 |
1 |
1165 |
f |
C |
x,y,z |
1_555 |
106 |
38 |
17682 |
807.5 |
-4.5 |
0.259 |
15 |
0 |
0 |
0.046 |
2 |
|
[YNC]B:1000 |
60 |
1 |
1165 |
f |
B |
x,y,z |
1_555 |
108 |
37 |
18242 |
805.2 |
-4.8 |
0.253 |
16 |
0 |
0 |
0.046 |
3 |
|
[YNC]A:1000 |
60 |
1 |
1161 |
f |
A |
x,y,z |
1_555 |
110 |
38 |
17989 |
799.5 |
-5.2 |
0.245 |
16 |
0 |
0 |
0.046 |
| Average: |
804.1 |
-4.8 |
0.252 |
16 |
0 |
0 |
0.046 |
| 2 |
4 |
|
C |
60 |
16 |
17682 |
x |
C |
x-1,y,z |
1_455 |
64 |
22 |
17682 |
507.3 |
4.1 |
0.850 |
6 |
2 |
0 |
0.000 |
5 |
|
B |
58 |
22 |
18242 |
x |
B |
x-1,y,z |
1_455 |
54 |
15 |
18242 |
475.0 |
2.7 |
0.769 |
8 |
2 |
0 |
0.000 |
6 |
|
A |
53 |
15 |
17989 |
x |
A |
x-1,y,z |
1_455 |
57 |
19 |
17989 |
462.7 |
1.3 |
0.649 |
7 |
3 |
0 |
0.000 |
| Average: |
481.7 |
2.7 |
0.756 |
7 |
2 |
0 |
0.000 |
| 3 |
7 |
|
B |
63 |
22 |
18242 |
◊ |
A |
x,y,z |
1_555 |
62 |
24 |
17989 |
496.1 |
-1.1 |
0.482 |
6 |
1 |
0 |
0.005 |
| 4 |
8 |
|
B |
52 |
16 |
18242 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
51 |
15 |
17989 |
487.8 |
-5.2 |
0.151 |
8 |
2 |
0 |
0.000 |
9 |
|
C |
51 |
15 |
17682 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
4_645 |
50 |
15 |
18242 |
472.3 |
-5.3 |
0.150 |
6 |
2 |
0 |
0.000 |
| Average: |
480.0 |
-5.2 |
0.150 |
7 |
2 |
0 |
0.000 |
| 5 |
10 |
|
C |
51 |
22 |
17682 |
x |
C |
x-1/2,-y-1/2,-z+1 |
3_446 |
44 |
14 |
17682 |
443.0 |
0.9 |
0.642 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
42 |
14 |
17682 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
31 |
9 |
17989 |
303.0 |
2.3 |
0.783 |
6 |
7 |
0 |
0.000 |
| 7 |
12 |
|
A |
26 |
7 |
17989 |
x |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
29 |
11 |
17989 |
253.9 |
2.5 |
0.811 |
3 |
5 |
0 |
0.000 |
| 8 |
13 |
|
C |
17 |
6 |
17682 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
17989 |
206.1 |
1.7 |
0.780 |
5 |
1 |
0 |
0.000 |
| 9 |
14 |
|
B |
20 |
6 |
18242 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
4 |
17682 |
191.5 |
-3.4 |
0.136 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
C |
18 |
6 |
17682 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
17 |
6 |
18242 |
151.0 |
1.0 |
0.675 |
5 |
1 |
0 |
0.000 |
16 |
|
B |
22 |
7 |
18242 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
18 |
9 |
17989 |
144.3 |
0.2 |
0.579 |
1 |
0 |
0 |
0.000 |
| Average: |
147.7 |
0.6 |
0.627 |
3 |
1 |
0 |
0.000 |
| 11 |
17 |
|
[DMS]B:999 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
18242 |
143.2 |
3.3 |
0.461 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[DMS]C:999 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
17682 |
140.5 |
3.8 |
0.577 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[DMS]A:999 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
17989 |
140.2 |
3.5 |
0.566 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
B |
14 |
8 |
18242 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
3 |
17682 |
79.8 |
0.4 |
0.656 |
1 |
1 |
0 |
0.000 |
| 15 |
21 |
|
[SO4]A:1411 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17989 |
64.9 |
-7.4 |
0.951 |
4 |
0 |
0 |
0.021 |
| 16 |
22 |
|
[SO4]A:1411 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
18242 |
60.9 |
-6.8 |
0.955 |
4 |
0 |
0 |
0.011 |
| 17 |
23 |
|
[CL]A:1413 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17989 |
59.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
|
C |
14 |
5 |
17682 |
f |
[CL]C:1412 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
57.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.030 |
25 |
|
[CL]B:1412 |
1 |
1 |
125 |
f |
B |
x-1,y,z |
1_455 |
14 |
5 |
18242 |
57.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
58.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 18 |
26 |
|
A |
8 |
4 |
17989 |
f |
[CL]A:1500 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
54.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.023 |
27 |
|
C |
8 |
4 |
17682 |
f |
[CL]C:1500 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
53.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
53.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 19 |
28 |
|
[CL]B:1412 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18242 |
41.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[CL]C:1412 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
17682 |
41.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]A:1413 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
17989 |
40.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
41.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[MG]C:1411 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
17682 |
40.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
|
[MG]B:1411 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
18242 |
40.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
|
[MG]A:1412 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17989 |
40.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
40.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 21 |
34 |
|
[MG]A:1412 |
1 |
1 |
98 |
f |
[YNC]A:1000 |
x,y,z |
1_555 |
4 |
1 |
1161 |
28.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.010 |
35 |
|
[MG]B:1411 |
1 |
1 |
98 |
f |
[YNC]B:1000 |
x,y,z |
1_555 |
4 |
1 |
1165 |
28.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.010 |
36 |
|
[MG]C:1411 |
1 |
1 |
98 |
f |
[YNC]C:1000 |
x,y,z |
1_555 |
4 |
1 |
1165 |
28.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
28.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 22 |
37 |
|
[CL]A:1500 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
17989 |
25.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CL]C:1500 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17682 |
25.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
25.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
C |
1 |
1 |
17682 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18242 |
4.5 |
0.2 |
0.814 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
A |
1 |
1 |
17989 |
◊ |
[YNC]A:1000 |
x-1,y,z |
1_455 |
1 |
1 |
1161 |
4.1 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
41 |
|
[YNC]B:1000 |
1 |
1 |
1165 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18242 |
3.8 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
1 |
1 |
17682 |
◊ |
[YNC]C:1000 |
x-1,y,z |
1_455 |
1 |
1 |
1165 |
2.6 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
| Average: |
3.5 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
B |
1 |
1 |
18242 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
17989 |
1.8 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
|