| ## |
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 |
188 |
46 |
7887 |
◊ |
A |
x,y,z |
1_555 |
198 |
46 |
7833 |
1925.3 |
-25.6 |
0.010 |
10 |
5 |
0 |
0.128 |
| 2 |
2 |
|
B |
50 |
11 |
7887 |
◊ |
A |
x,y,z-1 |
1_554 |
49 |
10 |
7833 |
423.7 |
-2.6 |
0.375 |
1 |
2 |
0 |
0.017 |
| 3 |
3 |
|
A |
24 |
9 |
7833 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
9 |
7887 |
204.0 |
-1.4 |
0.387 |
0 |
1 |
0 |
0.000 |
| 4 |
4 |
|
B |
16 |
4 |
7887 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
19 |
5 |
7887 |
176.7 |
3.4 |
0.828 |
5 |
5 |
0 |
0.000 |
| 5 |
5 |
|
A |
22 |
5 |
7833 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
18 |
6 |
7887 |
156.7 |
-1.8 |
0.312 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
21 |
5 |
7833 |
x |
A |
x-1,y,z |
1_455 |
23 |
6 |
7833 |
155.2 |
0.1 |
0.584 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[SO4]B:201 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
7887 |
106.3 |
-17.1 |
0.638 |
3 |
0 |
0 |
0.091 |
| 8 |
8 |
|
B |
8 |
3 |
7887 |
◊ |
A |
x-1,y,z-1 |
1_454 |
9 |
4 |
7833 |
82.2 |
-0.2 |
0.532 |
1 |
2 |
0 |
0.000 |
| 9 |
9 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7833 |
77.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| 10 |
10 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7887 |
76.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.049 |
| 11 |
11 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
7833 |
69.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.086 |
12 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
7887 |
58.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
64.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| 12 |
13 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7833 |
67.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.095 |
14 |
|
[CL]B:210 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
7887 |
65.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
66.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| 13 |
15 |
|
[CL]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7833 |
66.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.045 |
| 14 |
16 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7833 |
64.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.082 |
17 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7887 |
62.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
63.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.082 |
| 15 |
18 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7887 |
62.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.083 |
19 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7833 |
61.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
62.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.083 |
| 16 |
20 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
7833 |
62.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.080 |
21 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
7887 |
58.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
60.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.080 |
| 17 |
22 |
|
[CL]B:208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7887 |
59.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.042 |
| 18 |
23 |
|
A |
10 |
5 |
7833 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
2 |
7887 |
57.3 |
0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
7887 |
57.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 20 |
25 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7833 |
56.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| 21 |
26 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
7887 |
54.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.038 |
| 22 |
27 |
|
[CL]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7833 |
52.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| 23 |
28 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
B |
x-1,y,z |
1_455 |
12 |
4 |
7887 |
51.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| 24 |
29 |
|
[CL]A:211 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7833 |
48.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7833 |
36.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.035 |
31 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7887 |
36.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
36.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.035 |
| 26 |
32 |
|
[CL]A:209 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7887 |
35.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 27 |
33 |
|
[CL]B:208 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7833 |
35.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.018 |
| 28 |
34 |
|
[CL]B:207 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
7 |
5 |
7887 |
34.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7887 |
33.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 30 |
36 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
7833 |
33.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 31 |
37 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
3 |
7833 |
31.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.036 |
38 |
|
B |
8 |
3 |
7887 |
◊ |
[CL]A:204 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
30.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
31.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 32 |
39 |
|
[CL]A:210 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
7833 |
31.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[CL]B:203 |
1 |
1 |
125 |
◊ |
[CL]A:208 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 34 |
41 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
[CL]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 35 |
42 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7887 |
19.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
43 |
|
[CL]B:207 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7833 |
13.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
16.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 36 |
44 |
|
[SO4]B:201 |
3 |
1 |
185 |
f |
[CL]B:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 37 |
45 |
|
[CL]B:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
7833 |
17.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
46 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
7887 |
12.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
14.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
| 38 |
47 |
|
[CL]B:210 |
1 |
1 |
125 |
f |
[CL]B:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 39 |
48 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
[CL]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 40 |
49 |
|
[SO4]B:201 |
1 |
1 |
185 |
f |
[CL]B:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 41 |
50 |
|
A |
1 |
1 |
7833 |
x |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7833 |
2.0 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
A |
2 |
1 |
7833 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
7887 |
1.5 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
|