| ## |
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 |
114 |
30 |
8450 |
◊ |
A |
x,y,z |
1_555 |
113 |
30 |
8491 |
1099.7 |
-17.9 |
0.113 |
12 |
6 |
0 |
0.283 |
| 2 |
2 |
|
B |
54 |
16 |
8450 |
x |
B |
z-1,-x+1,-y+2 |
6_467 |
62 |
20 |
8450 |
539.9 |
-7.7 |
0.233 |
5 |
0 |
0 |
0.314 |
3 |
|
A |
64 |
19 |
8491 |
x |
A |
z-1,-x+1,-y+2 |
6_467 |
55 |
15 |
8491 |
520.9 |
-9.2 |
0.189 |
7 |
0 |
0 |
0.314 |
| Average: |
530.4 |
-8.5 |
0.211 |
6 |
0 |
0 |
0.314 |
| 3 |
4 |
|
B |
48 |
13 |
8450 |
◊ |
A |
z-3/2,x+1/2,y+1/2 |
17_355 |
55 |
18 |
8491 |
448.0 |
-4.6 |
0.407 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
48 |
17 |
8450 |
◊ |
A |
-z+3/2,-x+3/2,y+1/2 |
19_665 |
48 |
14 |
8491 |
417.8 |
-0.9 |
0.751 |
7 |
2 |
0 |
0.000 |
| 5 |
6 |
|
[CWP]B:201 |
18 |
1 |
461 |
f |
B |
x,y,z |
1_555 |
39 |
18 |
8450 |
229.1 |
0.0 |
0.412 |
1 |
0 |
0 |
0.011 |
| 6 |
7 |
|
[CWP]A:201 |
18 |
1 |
466 |
◊ |
A |
x,y,z |
1_555 |
38 |
18 |
8491 |
226.9 |
0.3 |
0.434 |
1 |
0 |
0 |
0.004 |
| 7 |
8 |
|
A |
19 |
5 |
8491 |
◊ |
B |
z-1,-x+1,-y+2 |
6_467 |
19 |
5 |
8450 |
178.2 |
-3.0 |
0.287 |
1 |
1 |
0 |
0.029 |
| 8 |
9 |
|
[POP]B:206 |
9 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
8450 |
153.3 |
1.2 |
0.699 |
7 |
0 |
0 |
0.049 |
| 9 |
10 |
|
A |
21 |
7 |
8491 |
◊ |
B |
-z+3/2,x+1/2,-y+5/2 |
20_657 |
25 |
9 |
8450 |
152.1 |
0.7 |
0.829 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[POP]A:205 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
8491 |
134.4 |
0.8 |
0.734 |
5 |
0 |
0 |
0.035 |
| 11 |
12 |
|
[PEG]B:204 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
8450 |
116.9 |
2.5 |
0.320 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[DMS]B:207 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8450 |
107.7 |
1.7 |
0.430 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[CWP]B:201 |
13 |
1 |
461 |
◊ |
B |
z-1,-x+1,-y+2 |
6_467 |
18 |
4 |
8450 |
107.0 |
1.3 |
0.516 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
15 |
4 |
8491 |
◊ |
[CWP]A:201 |
z-1,-x+1,-y+2 |
6_467 |
13 |
1 |
466 |
104.5 |
1.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
105.8 |
1.1 |
0.488 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[PEG]B:205 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
8450 |
102.5 |
3.3 |
0.340 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[PEG]A:204 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
8491 |
95.5 |
2.5 |
0.282 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[DMS]B:208 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
8450 |
90.7 |
1.9 |
0.452 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8491 |
81.5 |
-10.7 |
0.914 |
3 |
0 |
0 |
0.306 |
| 18 |
20 |
|
[DMS]A:206 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8491 |
78.3 |
0.9 |
0.385 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8450 |
75.0 |
-10.7 |
0.790 |
2 |
0 |
0 |
0.294 |
| 20 |
22 |
|
[DMS]A:206 |
4 |
1 |
208 |
◊ |
[CWP]A:201 |
x,y,z |
1_555 |
15 |
1 |
466 |
73.2 |
3.2 |
0.326 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8450 |
68.6 |
-9.8 |
0.689 |
2 |
0 |
0 |
0.271 |
| 22 |
24 |
|
[SO4]A:202 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
8450 |
65.6 |
-9.3 |
0.832 |
2 |
0 |
0 |
0.119 |
| 23 |
25 |
|
[SO4]B:203 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
8491 |
65.1 |
-8.6 |
0.927 |
2 |
0 |
0 |
0.111 |
| 24 |
26 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
z-1,-x+1,-y+2 |
6_467 |
10 |
4 |
8491 |
65.1 |
-8.6 |
0.821 |
1 |
0 |
0 |
0.230 |
| 25 |
27 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
B |
z-1,-x+1,-y+2 |
6_467 |
6 |
3 |
8450 |
58.1 |
-7.1 |
0.881 |
2 |
0 |
0 |
0.203 |
| 26 |
28 |
|
[DMS]B:207 |
4 |
1 |
209 |
f |
[CWP]B:201 |
x,y,z |
1_555 |
11 |
1 |
461 |
55.9 |
2.1 |
0.339 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[DMS]B:208 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8491 |
52.1 |
0.7 |
0.407 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
8491 |
50.3 |
-5.8 |
0.959 |
1 |
0 |
0 |
0.159 |
| 29 |
31 |
|
[SO4]A:203 |
4 |
1 |
185 |
◊ |
[CWP]A:201 |
z-1,-x+1,-y+2 |
6_467 |
3 |
1 |
466 |
40.8 |
-5.5 |
0.406 |
0 |
0 |
0 |
0.141 |
| 30 |
32 |
|
B |
7 |
2 |
8450 |
◊ |
A |
x-1/2,-y+3/2,-z+5/2 |
16_467 |
3 |
1 |
8491 |
39.1 |
0.8 |
0.859 |
2 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[SO4]B:202 |
4 |
1 |
185 |
f |
[CWP]B:201 |
x,y,z |
1_555 |
3 |
1 |
461 |
34.5 |
-4.6 |
0.443 |
0 |
0 |
0 |
0.117 |
| 32 |
34 |
|
[PEG]B:205 |
2 |
1 |
259 |
f |
A |
-z+3/2,-x+3/2,y+1/2 |
19_665 |
4 |
2 |
8491 |
26.3 |
0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[DMS]B:207 |
2 |
1 |
209 |
◊ |
B |
z-1,-x+1,-y+2 |
6_467 |
3 |
1 |
8450 |
26.3 |
1.1 |
0.799 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
B |
3 |
3 |
8450 |
◊ |
A |
z-1,-x+1,-y+2 |
6_467 |
3 |
3 |
8491 |
17.9 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
A |
3 |
1 |
8491 |
◊ |
[DMS]A:206 |
z-1,-x+1,-y+2 |
6_467 |
1 |
1 |
208 |
16.7 |
0.4 |
0.461 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[DMS]B:207 |
1 |
1 |
209 |
f |
[POP]B:206 |
x,y,z |
1_555 |
1 |
1 |
267 |
3.2 |
-0.0 |
0.236 |
0 |
0 |
0 |
0.001 |
| 37 |
39 |
|
[POP]A:205 |
1 |
1 |
265 |
◊ |
[CWP]A:201 |
x,y,z |
1_555 |
1 |
1 |
466 |
0.9 |
-0.1 |
0.324 |
0 |
0 |
0 |
0.002 |
| 38 |
40 |
|
[DMS]A:206 |
1 |
1 |
208 |
f |
[POP]A:205 |
x,y,z |
1_555 |
1 |
1 |
265 |
0.2 |
-0.0 |
0.236 |
0 |
0 |
0 |
0.000 |
|