| ## |
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 |
|
C |
167 |
51 |
14797 |
◊ |
B |
x,y,z |
1_555 |
155 |
47 |
14874 |
1569.0 |
-28.7 |
0.005 |
9 |
1 |
0 |
0.153 |
| 2 |
2 |
|
B |
128 |
38 |
14874 |
◊ |
A |
x,y,z |
1_555 |
130 |
36 |
14500 |
1298.1 |
-15.1 |
0.127 |
13 |
7 |
0 |
0.138 |
3 |
|
C |
119 |
36 |
14797 |
◊ |
D |
x,y,z |
1_555 |
123 |
39 |
14742 |
1215.5 |
-17.5 |
0.045 |
12 |
2 |
0 |
0.138 |
| Average: |
1256.8 |
-16.3 |
0.086 |
13 |
5 |
0 |
0.138 |
| 3 |
4 |
|
D |
59 |
15 |
14742 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
59 |
24 |
14500 |
559.3 |
-2.6 |
0.430 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
55 |
17 |
14874 |
◊ |
D |
x,y,z |
1_555 |
60 |
22 |
14742 |
540.2 |
-4.3 |
0.377 |
5 |
2 |
0 |
0.031 |
6 |
|
C |
54 |
18 |
14797 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
14500 |
422.7 |
-4.2 |
0.378 |
1 |
4 |
0 |
0.031 |
| Average: |
481.5 |
-4.3 |
0.378 |
3 |
3 |
0 |
0.031 |
| 5 |
7 |
|
B |
55 |
16 |
14874 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
56 |
17 |
14500 |
488.3 |
-3.1 |
0.448 |
4 |
2 |
0 |
0.000 |
| 6 |
8 |
|
A |
43 |
11 |
14500 |
◊ |
B |
x-1,y,z |
1_455 |
50 |
18 |
14874 |
400.7 |
-4.2 |
0.199 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
35 |
11 |
14500 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
32 |
12 |
14797 |
304.1 |
1.6 |
0.799 |
3 |
1 |
0 |
0.000 |
| 8 |
10 |
|
C |
21 |
6 |
14797 |
x |
C |
x-1,y,z |
1_455 |
22 |
7 |
14797 |
185.5 |
-1.0 |
0.541 |
2 |
1 |
0 |
0.000 |
| 9 |
11 |
|
A |
22 |
8 |
14500 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
8 |
14500 |
184.7 |
1.9 |
0.734 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
19 |
6 |
14797 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
14874 |
161.2 |
2.8 |
0.899 |
2 |
1 |
0 |
0.000 |
| 11 |
13 |
|
D |
23 |
9 |
14742 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
16 |
5 |
14797 |
160.9 |
-0.7 |
0.462 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
D |
16 |
8 |
14742 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
18 |
6 |
14874 |
144.0 |
1.3 |
0.777 |
3 |
0 |
0 |
0.000 |
| 13 |
15 |
|
D |
17 |
5 |
14742 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
5 |
14797 |
135.1 |
1.9 |
0.808 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
14874 |
128.0 |
-17.3 |
0.746 |
3 |
0 |
0 |
0.104 |
| 15 |
17 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
14797 |
124.6 |
-16.4 |
0.772 |
6 |
0 |
0 |
0.114 |
| 16 |
18 |
|
[SO4]B:404 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
14874 |
122.5 |
-15.8 |
0.866 |
5 |
0 |
0 |
0.101 |
| 17 |
19 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14500 |
121.0 |
-18.9 |
0.723 |
6 |
0 |
0 |
0.121 |
| 18 |
20 |
|
[SO4]C:404 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
14797 |
116.8 |
-19.2 |
0.597 |
3 |
0 |
0 |
0.123 |
| 19 |
21 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
14874 |
115.9 |
-19.1 |
0.610 |
4 |
0 |
0 |
0.117 |
| 20 |
22 |
|
[SO4]D:401 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
14742 |
115.6 |
-19.0 |
0.592 |
3 |
0 |
0 |
0.122 |
| 21 |
23 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14500 |
115.5 |
-18.2 |
0.628 |
4 |
0 |
0 |
0.112 |
| 22 |
24 |
|
[SO4]D:402 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
14742 |
114.8 |
-16.4 |
0.725 |
5 |
0 |
0 |
0.111 |
| 23 |
25 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
14500 |
114.5 |
-18.9 |
0.600 |
3 |
0 |
0 |
0.113 |
| 24 |
26 |
|
[SO4]C:407 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
14797 |
104.8 |
-15.7 |
0.774 |
4 |
0 |
0 |
0.104 |
| 25 |
27 |
|
D |
14 |
4 |
14742 |
x |
D |
x-1,y,z |
1_455 |
10 |
3 |
14742 |
98.0 |
1.5 |
0.814 |
2 |
2 |
0 |
0.000 |
| 26 |
28 |
|
A |
10 |
4 |
14500 |
◊ |
D |
x-1,y+1,z |
1_465 |
12 |
4 |
14742 |
96.2 |
-0.4 |
0.497 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[SO4]C:406 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
14797 |
96.1 |
-17.8 |
0.763 |
5 |
0 |
0 |
0.120 |
| 28 |
30 |
|
D |
9 |
3 |
14742 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
3 |
14500 |
84.7 |
2.1 |
0.850 |
1 |
1 |
0 |
0.000 |
| 29 |
31 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14500 |
74.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.063 |
| 30 |
32 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
14797 |
73.6 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.060 |
| 31 |
33 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
14874 |
69.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| 32 |
34 |
|
C |
9 |
3 |
14797 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
14874 |
65.9 |
0.4 |
0.638 |
0 |
1 |
0 |
0.000 |
| 33 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14874 |
64.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| 34 |
36 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
14797 |
62.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.049 |
| 35 |
37 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14500 |
59.0 |
-6.9 |
0.908 |
1 |
0 |
0 |
0.041 |
| 36 |
38 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
14797 |
42.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 37 |
39 |
|
D |
5 |
2 |
14742 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
14874 |
37.3 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
C |
5 |
3 |
14797 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
14742 |
36.9 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[SO4]A:405 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14797 |
25.5 |
-2.7 |
0.884 |
0 |
0 |
0 |
0.007 |
| 40 |
42 |
|
[SO4]C:406 |
1 |
1 |
186 |
f |
[CL]C:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 41 |
43 |
|
A |
4 |
2 |
14500 |
◊ |
[CL]C:401 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
19.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
D |
2 |
2 |
14742 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
14742 |
14.7 |
0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
|