| ## |
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 |
|
F |
320 |
77 |
11938 |
◊ |
D |
x,y,z |
1_555 |
317 |
71 |
11852 |
2935.9 |
-39.7 |
0.072 |
28 |
3 |
0 |
0.515 |
2 |
|
A |
314 |
76 |
12072 |
◊ |
A |
-x,y,-z+1 |
2_556 |
315 |
76 |
12072 |
2924.5 |
-38.3 |
0.108 |
30 |
0 |
0 |
0.515 |
3 |
|
E |
312 |
76 |
12031 |
◊ |
C |
x,y,z |
1_555 |
308 |
74 |
11950 |
2826.9 |
-40.3 |
0.051 |
25 |
2 |
0 |
0.515 |
4 |
|
B |
307 |
74 |
11810 |
◊ |
B |
-x,y,-z+1 |
2_556 |
308 |
74 |
11810 |
2803.0 |
-39.0 |
0.086 |
26 |
2 |
0 |
0.515 |
| Average: |
2872.6 |
-39.3 |
0.079 |
27 |
2 |
0 |
0.515 |
| 2 |
5 |
|
D |
96 |
27 |
11852 |
◊ |
C |
x,y,z |
1_555 |
94 |
27 |
11950 |
868.2 |
-5.4 |
0.576 |
13 |
10 |
0 |
0.124 |
6 |
|
B |
98 |
28 |
11810 |
◊ |
A |
x,y,z |
1_555 |
95 |
28 |
12072 |
857.3 |
-4.6 |
0.655 |
12 |
8 |
0 |
0.124 |
7 |
|
F |
89 |
29 |
11938 |
◊ |
E |
x,y,z |
1_555 |
98 |
30 |
12031 |
814.9 |
-4.0 |
0.664 |
13 |
10 |
0 |
0.124 |
| Average: |
846.8 |
-4.7 |
0.631 |
13 |
9 |
0 |
0.124 |
| 3 |
8 |
|
A |
37 |
10 |
12072 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
39 |
12 |
11852 |
395.2 |
-4.2 |
0.387 |
2 |
0 |
0 |
0.000 |
| 4 |
9 |
|
F |
39 |
10 |
11938 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
39 |
10 |
11950 |
387.6 |
-3.1 |
0.444 |
5 |
4 |
0 |
0.000 |
| 5 |
10 |
|
E |
39 |
9 |
12031 |
◊ |
B |
x,y,z |
1_555 |
40 |
9 |
11810 |
380.3 |
-4.5 |
0.382 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
26 |
8 |
12072 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
23 |
7 |
11852 |
216.9 |
-1.6 |
0.537 |
3 |
1 |
0 |
0.000 |
| 7 |
12 |
|
A |
23 |
6 |
12072 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
25 |
6 |
11938 |
216.5 |
-3.0 |
0.359 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
E |
20 |
6 |
12031 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
11852 |
194.5 |
-5.4 |
0.032 |
0 |
0 |
0 |
0.034 |
14 |
|
F |
20 |
6 |
11938 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
11950 |
192.7 |
-5.3 |
0.043 |
0 |
0 |
0 |
0.034 |
15 |
|
B |
20 |
6 |
11810 |
◊ |
A |
-x,y,-z+1 |
2_556 |
18 |
5 |
12072 |
189.8 |
-5.2 |
0.045 |
0 |
0 |
0 |
0.034 |
| Average: |
192.3 |
-5.3 |
0.040 |
0 |
0 |
0 |
0.034 |
| 9 |
16 |
|
B |
13 |
4 |
11810 |
◊ |
B |
-x,y,-z |
2_555 |
13 |
4 |
11810 |
138.1 |
0.3 |
0.741 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[SO4]A:232 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12072 |
113.3 |
-20.7 |
0.708 |
7 |
0 |
0 |
0.330 |
| 11 |
18 |
|
[SO4]D:232 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
11852 |
112.5 |
-20.8 |
0.684 |
8 |
0 |
0 |
0.239 |
| 12 |
19 |
|
[SO4]F:231 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
19 |
9 |
11938 |
110.0 |
-20.6 |
0.633 |
3 |
0 |
0 |
0.223 |
| 13 |
20 |
|
[SO4]B:232 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
11810 |
109.9 |
-20.8 |
0.683 |
7 |
0 |
0 |
0.485 |
| 14 |
21 |
|
[SO4]E:233 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
12031 |
108.7 |
-20.7 |
0.680 |
5 |
0 |
0 |
0.233 |
| 15 |
22 |
|
[SO4]C:232 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
11950 |
104.7 |
-20.8 |
0.681 |
7 |
0 |
0 |
0.234 |
| 16 |
23 |
|
[SO4]B:231 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12072 |
80.6 |
-9.2 |
0.983 |
4 |
0 |
0 |
0.152 |
| 17 |
24 |
|
[SO4]C:231 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11950 |
80.1 |
-9.4 |
0.973 |
4 |
0 |
0 |
0.110 |
| 18 |
25 |
|
[BCT]F:232 |
4 |
1 |
164 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
11938 |
79.8 |
1.0 |
0.658 |
2 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[SO4]D:231 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
11852 |
77.8 |
-9.4 |
0.978 |
5 |
0 |
0 |
0.114 |
| 20 |
27 |
|
[SO4]E:232 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
12031 |
77.5 |
-11.0 |
0.768 |
1 |
0 |
0 |
0.116 |
| 21 |
28 |
|
[SO4]E:231 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
12031 |
77.4 |
-9.5 |
0.953 |
4 |
0 |
0 |
0.114 |
| 22 |
29 |
|
[SO4]A:231 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12072 |
76.6 |
-10.8 |
0.769 |
2 |
0 |
0 |
0.162 |
| 23 |
30 |
|
[SO4]E:232 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
11938 |
75.0 |
-8.5 |
0.968 |
2 |
0 |
0 |
0.095 |
| 24 |
31 |
|
[SO4]A:231 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11810 |
74.8 |
-9.9 |
0.895 |
4 |
0 |
0 |
0.114 |
| 25 |
32 |
|
[SO4]E:231 |
5 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
11938 |
71.8 |
-9.5 |
0.800 |
2 |
0 |
0 |
0.106 |
| 26 |
33 |
|
A |
10 |
3 |
12072 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
11938 |
67.5 |
-0.9 |
0.472 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
5 |
2 |
12072 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
10 |
3 |
11852 |
65.8 |
-1.3 |
0.330 |
0 |
0 |
0 |
0.000 |
| Average: |
66.7 |
-1.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[SO4]B:231 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11810 |
67.5 |
-8.6 |
0.858 |
2 |
0 |
0 |
0.092 |
| 28 |
36 |
|
[SO4]D:231 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11950 |
67.2 |
-8.4 |
0.870 |
2 |
0 |
0 |
0.091 |
| 29 |
37 |
|
[SO4]C:231 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11852 |
65.3 |
-8.1 |
0.877 |
2 |
0 |
0 |
0.088 |
| 30 |
38 |
|
[BCT]F:232 |
4 |
1 |
164 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
11852 |
57.7 |
1.2 |
0.724 |
1 |
0 |
0 |
0.000 |
| 31 |
39 |
|
C |
8 |
1 |
11950 |
◊ |
B |
-x,y,-z+1 |
2_556 |
10 |
3 |
11810 |
55.8 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
F |
7 |
2 |
11938 |
◊ |
E |
x,y,z-1 |
1_554 |
5 |
1 |
12031 |
48.6 |
-0.5 |
0.527 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
C |
9 |
4 |
11950 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
2 |
12031 |
46.8 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
A |
3 |
1 |
12072 |
x |
A |
x,y,z-1 |
1_554 |
5 |
1 |
12072 |
37.2 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
D |
2 |
1 |
11852 |
x |
D |
x,y,z-1 |
1_554 |
5 |
2 |
11852 |
31.9 |
0.8 |
0.788 |
1 |
0 |
0 |
0.000 |
| 36 |
44 |
|
F |
4 |
3 |
11938 |
x |
F |
x,y,z-1 |
1_554 |
2 |
1 |
11938 |
21.5 |
0.9 |
0.843 |
1 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[SO4]F:231 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11852 |
9.0 |
-1.2 |
0.676 |
0 |
0 |
0 |
0.011 |
| 38 |
46 |
|
D |
1 |
1 |
11852 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
12031 |
8.9 |
0.2 |
0.835 |
0 |
0 |
0 |
0.000 |
|