## |
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 |
111 |
30 |
8784 |
◊ |
A |
x,y,z |
1_555 |
106 |
28 |
8632 |
1052.0 |
-18.6 |
0.063 |
11 |
3 |
0 |
0.121 |
2 |
2 |
|
A |
55 |
15 |
8632 |
x |
A |
z,-x,-y |
6_555 |
72 |
21 |
8632 |
566.0 |
-7.8 |
0.236 |
4 |
0 |
0 |
0.108 |
3 |
|
B |
68 |
20 |
8784 |
x |
B |
z,-x,-y |
6_555 |
55 |
15 |
8784 |
550.3 |
-8.5 |
0.207 |
4 |
0 |
0 |
0.108 |
Average: |
558.1 |
-8.2 |
0.222 |
4 |
0 |
0 |
0.108 |
3 |
4 |
|
A |
49 |
12 |
8632 |
◊ |
B |
z-1/2,x-1/2,y+1/2 |
17_445 |
57 |
18 |
8784 |
505.4 |
-4.1 |
0.458 |
4 |
0 |
0 |
0.028 |
4 |
5 |
|
A |
52 |
16 |
8632 |
◊ |
B |
-z+1/2,-x+1/2,y+1/2 |
19_555 |
45 |
15 |
8784 |
446.1 |
-3.1 |
0.476 |
6 |
2 |
0 |
0.029 |
5 |
6 |
|
[F6D]A:201 |
31 |
1 |
736 |
f |
A |
x,y,z |
1_555 |
47 |
20 |
8632 |
371.6 |
-8.7 |
0.306 |
3 |
0 |
0 |
0.112 |
7 |
|
[F6D]B:201 |
29 |
1 |
734 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
8784 |
368.0 |
-8.3 |
0.322 |
3 |
0 |
0 |
0.112 |
Average: |
369.8 |
-8.5 |
0.314 |
3 |
0 |
0 |
0.112 |
6 |
8 |
|
B |
26 |
7 |
8784 |
◊ |
A |
z,-x,-y |
6_555 |
25 |
6 |
8632 |
229.3 |
-5.4 |
0.141 |
0 |
0 |
0 |
0.022 |
7 |
9 |
|
B |
20 |
8 |
8784 |
◊ |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
23 |
8 |
8632 |
188.1 |
1.8 |
0.873 |
6 |
1 |
0 |
0.005 |
8 |
10 |
|
[PG4]B:209 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
8784 |
176.1 |
5.1 |
0.368 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[F6D]A:201 |
26 |
1 |
736 |
◊ |
A |
z,-x,-y |
6_555 |
22 |
6 |
8632 |
175.4 |
0.9 |
0.388 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
22 |
6 |
8784 |
◊ |
[F6D]B:201 |
z,-x,-y |
6_555 |
25 |
1 |
734 |
168.7 |
1.3 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
172.0 |
1.1 |
0.430 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[DMS]A:206 |
4 |
1 |
204 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
8632 |
111.7 |
2.3 |
0.550 |
1 |
0 |
0 |
0.000 |
14 |
|
[DMS]B:208 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
8784 |
111.4 |
2.3 |
0.537 |
0 |
0 |
0 |
0.000 |
Average: |
111.5 |
2.3 |
0.544 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[DMS]A:205 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
8632 |
102.2 |
2.8 |
0.620 |
2 |
0 |
0 |
0.000 |
16 |
|
[DMS]B:206 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
8784 |
102.1 |
2.7 |
0.619 |
2 |
0 |
0 |
0.000 |
Average: |
102.2 |
2.8 |
0.619 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]B:207 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8784 |
101.4 |
-15.1 |
0.866 |
3 |
0 |
0 |
0.153 |
13 |
18 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8632 |
91.7 |
-10.8 |
0.928 |
5 |
0 |
0 |
0.147 |
14 |
19 |
|
[SO4]A:203 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8632 |
91.2 |
-12.1 |
0.931 |
5 |
0 |
0 |
0.161 |
15 |
20 |
|
[SO4]B:204 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8784 |
87.9 |
-12.2 |
0.924 |
5 |
0 |
0 |
0.135 |
16 |
21 |
|
[SO4]B:202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8784 |
84.0 |
-10.5 |
0.898 |
4 |
0 |
0 |
0.114 |
17 |
22 |
|
[SO4]A:207 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8632 |
82.4 |
-10.4 |
0.899 |
3 |
0 |
0 |
0.132 |
18 |
23 |
|
[SO4]B:205 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8784 |
82.3 |
-10.6 |
0.907 |
3 |
0 |
0 |
0.111 |
19 |
24 |
|
A |
10 |
2 |
8632 |
◊ |
B |
x-1/2,-y-1/2,-z+1/2 |
16_445 |
11 |
3 |
8784 |
79.8 |
1.0 |
0.825 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[SO4]A:207 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
8784 |
67.3 |
-9.7 |
0.802 |
2 |
0 |
0 |
0.054 |
21 |
26 |
|
[SO4]B:205 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
8632 |
65.6 |
-9.3 |
0.810 |
2 |
0 |
0 |
0.052 |
22 |
27 |
|
[SO4]B:203 |
5 |
1 |
184 |
f |
[F6D]B:201 |
x,y,z |
1_555 |
8 |
1 |
734 |
65.3 |
-7.8 |
0.728 |
3 |
0 |
0 |
0.085 |
23 |
28 |
|
[SO4]A:204 |
4 |
1 |
184 |
f |
A |
z,-x,-y |
6_555 |
8 |
3 |
8632 |
61.3 |
-7.4 |
0.924 |
4 |
0 |
0 |
0.103 |
24 |
29 |
|
[SO4]A:204 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8632 |
60.7 |
-8.1 |
0.674 |
2 |
0 |
0 |
0.101 |
25 |
30 |
|
[SO4]B:203 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8784 |
54.0 |
-6.5 |
0.819 |
3 |
0 |
0 |
0.073 |
26 |
31 |
|
B |
8 |
2 |
8784 |
◊ |
[SO4]B:203 |
z,-x,-y |
6_555 |
4 |
1 |
184 |
43.4 |
-6.0 |
0.649 |
0 |
0 |
0 |
0.056 |
27 |
32 |
|
[SO4]A:204 |
4 |
1 |
184 |
◊ |
[F6D]A:201 |
x,y,z |
1_555 |
7 |
1 |
736 |
41.2 |
-4.5 |
0.669 |
0 |
0 |
0 |
0.050 |
28 |
33 |
|
[SO4]B:202 |
4 |
1 |
184 |
f |
[F6D]B:201 |
x,y,z |
1_555 |
3 |
1 |
734 |
33.3 |
-4.7 |
0.419 |
0 |
0 |
0 |
0.044 |
29 |
34 |
|
[SO4]A:202 |
4 |
1 |
184 |
f |
[F6D]A:201 |
x,y,z |
1_555 |
3 |
1 |
736 |
32.5 |
-4.2 |
0.457 |
0 |
0 |
0 |
0.047 |
30 |
35 |
|
[DMS]A:206 |
3 |
1 |
204 |
f |
[DMS]A:205 |
x,y,z |
1_555 |
4 |
1 |
208 |
32.1 |
1.6 |
0.224 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[DMS]B:208 |
3 |
1 |
206 |
f |
[DMS]B:206 |
x,y,z |
1_555 |
4 |
1 |
208 |
30.8 |
1.6 |
0.224 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[DMS]B:206 |
2 |
1 |
208 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.2 |
-2.9 |
0.865 |
0 |
0 |
0 |
0.027 |
33 |
38 |
|
[DMS]A:205 |
3 |
1 |
208 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
27.8 |
-2.5 |
0.450 |
0 |
0 |
0 |
0.028 |
34 |
39 |
|
[DMS]A:205 |
3 |
1 |
208 |
f |
[SO4]A:203 |
x,y,z |
1_555 |
3 |
1 |
183 |
25.7 |
-2.7 |
0.449 |
0 |
0 |
0 |
0.031 |
35 |
40 |
|
[DMS]B:206 |
3 |
1 |
208 |
f |
[SO4]B:204 |
x,y,z |
1_555 |
3 |
1 |
183 |
24.9 |
-2.8 |
0.449 |
0 |
0 |
0 |
0.026 |
36 |
41 |
|
[DMS]A:206 |
2 |
1 |
204 |
f |
[SO4]A:203 |
x,y,z |
1_555 |
4 |
1 |
183 |
21.4 |
-1.7 |
0.661 |
0 |
0 |
0 |
0.019 |
37 |
42 |
|
[DMS]B:208 |
2 |
1 |
206 |
f |
[SO4]B:204 |
x,y,z |
1_555 |
4 |
1 |
183 |
19.5 |
-1.6 |
0.661 |
0 |
0 |
0 |
0.015 |
38 |
43 |
|
[SO4]B:204 |
4 |
1 |
183 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
3 |
1 |
184 |
15.9 |
-3.5 |
0.995 |
0 |
0 |
0 |
0.033 |
39 |
44 |
|
[SO4]A:203 |
4 |
1 |
183 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
3 |
1 |
184 |
13.6 |
-3.0 |
0.995 |
0 |
0 |
0 |
0.034 |
40 |
45 |
|
[SO4]B:207 |
3 |
1 |
185 |
◊ |
[F6D]B:201 |
z,-x,-y |
6_555 |
2 |
1 |
734 |
9.4 |
-0.9 |
0.791 |
0 |
0 |
0 |
0.008 |
41 |
46 |
|
[PG4]B:209 |
1 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
8632 |
2.9 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
A |
2 |
2 |
8632 |
◊ |
B |
z,-x,-y |
6_555 |
2 |
2 |
8784 |
2.8 |
-0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[DMS]B:206 |
1 |
1 |
208 |
f |
[F6D]B:201 |
x,y,z |
1_555 |
1 |
1 |
734 |
0.5 |
-0.0 |
0.369 |
0 |
0 |
0 |
0.000 |
|