| ## |
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 |
60 |
16 |
9870 |
◊ |
A |
x,y,z |
1_555 |
65 |
16 |
9850 |
563.5 |
-7.7 |
0.096 |
4 |
0 |
0 |
0.024 |
2 |
|
B |
62 |
16 |
9799 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
9850 |
562.0 |
-7.3 |
0.112 |
6 |
1 |
0 |
0.024 |
3 |
|
D |
60 |
14 |
9662 |
◊ |
C |
x,y,z |
1_555 |
59 |
14 |
9870 |
561.5 |
-7.1 |
0.109 |
5 |
1 |
0 |
0.024 |
4 |
|
D |
60 |
16 |
9662 |
◊ |
B |
x,y,z |
1_555 |
62 |
16 |
9799 |
555.9 |
-7.1 |
0.119 |
4 |
0 |
0 |
0.024 |
| Average: |
560.7 |
-7.3 |
0.109 |
5 |
1 |
0 |
0.024 |
| 2 |
5 |
|
B |
41 |
13 |
9799 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
41 |
14 |
9870 |
410.5 |
-7.5 |
0.054 |
3 |
1 |
0 |
0.000 |
6 |
|
A |
41 |
16 |
9850 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
40 |
13 |
9662 |
401.9 |
-7.3 |
0.055 |
1 |
0 |
0 |
0.000 |
| Average: |
406.2 |
-7.4 |
0.054 |
2 |
1 |
0 |
0.000 |
| 3 |
7 |
|
D |
30 |
8 |
9662 |
◊ |
B |
x,-y,-z |
4_555 |
34 |
8 |
9799 |
257.4 |
0.9 |
0.691 |
0 |
0 |
0 |
0.000 |
8 |
|
C |
33 |
8 |
9870 |
◊ |
A |
x,-y,-z |
4_555 |
31 |
8 |
9850 |
243.2 |
-0.9 |
0.491 |
1 |
2 |
0 |
0.000 |
| Average: |
250.3 |
-0.0 |
0.591 |
1 |
1 |
0 |
0.000 |
| 4 |
9 |
|
D |
30 |
9 |
9662 |
◊ |
A |
x,-y,-z |
4_555 |
25 |
7 |
9850 |
217.4 |
0.4 |
0.640 |
4 |
7 |
0 |
0.000 |
10 |
|
C |
24 |
6 |
9870 |
◊ |
C |
x,-y,-z |
4_555 |
24 |
6 |
9870 |
213.5 |
0.2 |
0.616 |
4 |
8 |
0 |
0.000 |
11 |
|
B |
25 |
6 |
9799 |
◊ |
B |
x,-y,-z |
4_555 |
25 |
6 |
9799 |
211.0 |
0.2 |
0.638 |
4 |
8 |
0 |
0.000 |
| Average: |
214.0 |
0.2 |
0.631 |
4 |
8 |
0 |
0.000 |
| 5 |
12 |
|
[XI7]B:306 |
14 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
37 |
12 |
9799 |
204.6 |
5.6 |
0.162 |
1 |
0 |
0 |
0.000 |
13 |
|
[XI7]A:306 |
14 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
35 |
12 |
9850 |
203.9 |
5.9 |
0.152 |
2 |
0 |
0 |
0.000 |
14 |
|
[XI7]D:306 |
14 |
1 |
352 |
f |
D |
x,y,z |
1_555 |
36 |
12 |
9662 |
202.8 |
5.6 |
0.150 |
1 |
0 |
0 |
0.000 |
15 |
|
[XI7]C:306 |
14 |
1 |
354 |
f |
C |
x,y,z |
1_555 |
37 |
12 |
9870 |
202.0 |
5.6 |
0.151 |
1 |
0 |
0 |
0.000 |
| Average: |
203.3 |
5.7 |
0.154 |
1 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[XI7]B:305 |
12 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
9799 |
162.5 |
4.5 |
0.033 |
2 |
0 |
0 |
0.000 |
17 |
|
[XI7]D:305 |
14 |
1 |
354 |
f |
D |
x,y,z |
1_555 |
30 |
12 |
9662 |
161.2 |
4.9 |
0.002 |
1 |
0 |
0 |
0.000 |
18 |
|
[XI7]C:305 |
10 |
1 |
352 |
f |
C |
x,y,z |
1_555 |
28 |
12 |
9870 |
160.8 |
4.5 |
0.096 |
2 |
0 |
0 |
0.000 |
19 |
|
[XI7]A:305 |
13 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
9850 |
158.1 |
4.7 |
0.004 |
1 |
0 |
0 |
0.000 |
| Average: |
160.7 |
4.7 |
0.034 |
2 |
0 |
0 |
0.000 |
| 7 |
20 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9799 |
99.6 |
-15.9 |
0.730 |
6 |
0 |
0 |
0.060 |
| 8 |
21 |
|
[SO4]D:302 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9662 |
99.5 |
-15.2 |
0.768 |
6 |
0 |
0 |
0.061 |
| 9 |
22 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9870 |
97.5 |
-15.2 |
0.695 |
5 |
0 |
0 |
0.061 |
| 10 |
23 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9850 |
96.7 |
-15.0 |
0.705 |
8 |
0 |
0 |
0.064 |
| 11 |
24 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9799 |
92.7 |
-12.9 |
0.848 |
4 |
0 |
0 |
0.047 |
| 12 |
25 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9870 |
89.7 |
-12.3 |
0.845 |
3 |
0 |
0 |
0.048 |
| 13 |
26 |
|
[XI7]A:306 |
13 |
1 |
359 |
f |
[XI7]A:305 |
x,y,z |
1_555 |
14 |
1 |
353 |
88.6 |
4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[XI7]C:306 |
13 |
1 |
354 |
f |
[XI7]C:305 |
x,y,z |
1_555 |
14 |
1 |
352 |
85.3 |
4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[XI7]D:306 |
13 |
1 |
352 |
f |
[XI7]D:305 |
x,y,z |
1_555 |
14 |
1 |
354 |
83.5 |
4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[XI7]B:306 |
13 |
1 |
355 |
f |
[XI7]B:305 |
x,y,z |
1_555 |
14 |
1 |
354 |
83.3 |
4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
85.2 |
4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
30 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9850 |
87.8 |
-11.8 |
0.851 |
4 |
0 |
0 |
0.047 |
| 15 |
31 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
9662 |
87.6 |
-12.1 |
0.837 |
5 |
0 |
0 |
0.049 |
| 16 |
32 |
|
B |
7 |
3 |
9799 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
9 |
4 |
9870 |
58.6 |
1.2 |
0.809 |
0 |
0 |
0 |
0.000 |
33 |
|
D |
3 |
3 |
9662 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
4 |
3 |
9850 |
15.1 |
0.4 |
0.744 |
0 |
0 |
0 |
0.000 |
| Average: |
36.8 |
0.8 |
0.777 |
0 |
0 |
0 |
0.000 |
| 17 |
34 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9870 |
50.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
35 |
|
[MN]A:303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9850 |
50.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
36 |
|
[MN]B:303 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9799 |
49.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
37 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
9662 |
48.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
49.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 18 |
38 |
|
C |
6 |
2 |
9870 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
9870 |
48.0 |
1.2 |
0.826 |
0 |
0 |
0 |
0.000 |
| 19 |
39 |
|
[MN]D:303 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
9662 |
41.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
|
[MN]C:303 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
9870 |
41.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9850 |
41.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9799 |
40.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
41.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 20 |
43 |
|
[XI7]C:305 |
4 |
1 |
352 |
f |
[MN]C:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
44 |
|
[XI7]B:305 |
4 |
1 |
354 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
36.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
|
[XI7]A:305 |
4 |
1 |
353 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
46 |
|
[XI7]D:305 |
2 |
1 |
354 |
f |
[MN]D:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
36.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 21 |
47 |
|
[XI7]A:305 |
4 |
1 |
353 |
f |
[MN]A:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
48 |
|
[XI7]B:305 |
4 |
1 |
354 |
f |
[MN]B:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
49 |
|
[XI7]C:305 |
4 |
1 |
352 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
50 |
|
[XI7]D:305 |
4 |
1 |
354 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
35.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 22 |
51 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 23 |
52 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
| 24 |
53 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 25 |
54 |
|
D |
1 |
1 |
9662 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
9662 |
15.1 |
1.1 |
0.953 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 27 |
56 |
|
[XI7]D:306 |
2 |
1 |
352 |
f |
[MN]D:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
9.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[XI7]C:306 |
2 |
1 |
354 |
f |
[MN]C:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
8.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[XI7]A:306 |
2 |
1 |
359 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
7.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[XI7]B:306 |
2 |
1 |
355 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
7.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
8.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 28 |
60 |
|
[XI7]B:306 |
2 |
1 |
355 |
f |
[MN]B:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
9.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[XI7]A:306 |
2 |
1 |
359 |
f |
[MN]A:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
7.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[XI7]C:306 |
2 |
1 |
354 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
7.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[XI7]D:306 |
1 |
1 |
352 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
7.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 29 |
64 |
|
A |
2 |
1 |
9850 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
9850 |
7.6 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.000 |
|