| ## |
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 |
|
D |
210 |
50 |
14230 |
◊ |
B |
x,y,z |
1_555 |
207 |
50 |
14223 |
2036.3 |
-37.1 |
0.000 |
12 |
4 |
0 |
0.000 |
2 |
|
C |
207 |
50 |
14223 |
◊ |
A |
x,y,z |
1_555 |
210 |
50 |
14230 |
2036.3 |
-37.1 |
0.000 |
12 |
4 |
0 |
0.000 |
| Average: |
2036.3 |
-37.1 |
0.000 |
12 |
4 |
0 |
0.000 |
| 2 |
3 |
|
D |
99 |
29 |
14230 |
◊ |
A |
x,y,z |
1_555 |
99 |
29 |
14230 |
930.0 |
-11.8 |
0.089 |
12 |
2 |
0 |
0.000 |
4 |
|
C |
100 |
29 |
14223 |
◊ |
B |
x,y,z |
1_555 |
100 |
29 |
14223 |
929.1 |
-11.8 |
0.091 |
12 |
2 |
0 |
0.000 |
| Average: |
929.5 |
-11.8 |
0.090 |
12 |
2 |
0 |
0.000 |
| 3 |
5 |
|
C |
86 |
21 |
14223 |
◊ |
D |
x-y+1,x,z+1/6 |
6_655 |
85 |
21 |
14230 |
708.5 |
5.7 |
0.923 |
8 |
14 |
0 |
0.000 |
| 4 |
6 |
|
D |
70 |
22 |
14230 |
◊ |
C |
x,y,z |
1_555 |
70 |
22 |
14223 |
602.8 |
8.2 |
0.970 |
6 |
4 |
0 |
0.000 |
7 |
|
B |
70 |
22 |
14223 |
◊ |
A |
x,y,z |
1_555 |
70 |
22 |
14230 |
602.8 |
8.2 |
0.970 |
6 |
4 |
0 |
0.000 |
| Average: |
602.8 |
8.2 |
0.970 |
6 |
4 |
0 |
0.000 |
| 5 |
8 |
|
[NAD]D:13 |
42 |
1 |
861 |
◊ |
D |
x,y,z |
1_555 |
76 |
32 |
14230 |
544.1 |
-3.6 |
0.577 |
7 |
0 |
0 |
0.000 |
9 |
|
[NAD]A:1 |
42 |
1 |
861 |
◊ |
A |
x,y,z |
1_555 |
76 |
32 |
14230 |
544.1 |
-3.6 |
0.577 |
7 |
0 |
0 |
0.000 |
10 |
|
[NAD]C:9 |
42 |
1 |
860 |
◊ |
C |
x,y,z |
1_555 |
76 |
32 |
14223 |
542.9 |
-3.6 |
0.579 |
7 |
0 |
0 |
0.000 |
11 |
|
[NAD]B:5 |
42 |
1 |
860 |
◊ |
B |
x,y,z |
1_555 |
76 |
32 |
14223 |
542.9 |
-3.6 |
0.579 |
7 |
0 |
0 |
0.000 |
| Average: |
543.5 |
-3.6 |
0.578 |
7 |
0 |
0 |
0.000 |
| 6 |
12 |
|
A |
52 |
16 |
14230 |
◊ |
D |
x-y+1,x+1,z+1/6 |
6_665 |
52 |
14 |
14230 |
489.8 |
-0.8 |
0.590 |
1 |
5 |
0 |
0.000 |
| 7 |
13 |
|
A |
32 |
9 |
14230 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
24 |
7 |
14223 |
239.7 |
0.4 |
0.670 |
1 |
2 |
0 |
0.000 |
| 8 |
14 |
|
[FBP]D:2 |
17 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
14230 |
207.6 |
-4.4 |
0.665 |
4 |
0 |
0 |
0.000 |
15 |
|
[FBP]C:6 |
17 |
1 |
482 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
14223 |
206.8 |
-4.3 |
0.648 |
4 |
0 |
0 |
0.000 |
| Average: |
207.2 |
-4.4 |
0.656 |
4 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[FBP]D:2 |
16 |
1 |
483 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
14230 |
189.8 |
-1.1 |
0.806 |
3 |
0 |
0 |
0.000 |
17 |
|
[FBP]C:6 |
16 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
14223 |
189.2 |
-1.1 |
0.797 |
3 |
0 |
0 |
0.000 |
| Average: |
189.5 |
-1.1 |
0.802 |
3 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[SO4]D:333 |
5 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
14230 |
106.5 |
-14.9 |
0.821 |
0 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:4 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
14230 |
106.5 |
-14.9 |
0.821 |
0 |
0 |
0 |
0.000 |
20 |
|
[SO4]B:8 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14223 |
106.1 |
-15.0 |
0.819 |
0 |
0 |
0 |
0.000 |
21 |
|
[SO4]C:12 |
5 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
14223 |
106.1 |
-15.0 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
106.3 |
-15.0 |
0.820 |
0 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[SO4]D:332 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
14230 |
103.7 |
-15.1 |
0.696 |
2 |
0 |
0 |
0.000 |
23 |
|
[SO4]A:3 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
14230 |
103.7 |
-15.1 |
0.696 |
2 |
0 |
0 |
0.000 |
24 |
|
[SO4]C:11 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
14223 |
103.5 |
-15.0 |
0.694 |
2 |
0 |
0 |
0.000 |
25 |
|
[SO4]B:7 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
14223 |
103.5 |
-15.0 |
0.694 |
2 |
0 |
0 |
0.000 |
| Average: |
103.6 |
-15.1 |
0.695 |
2 |
0 |
0 |
0.000 |
| 12 |
26 |
|
C |
8 |
4 |
14223 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
14 |
4 |
14223 |
77.3 |
0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
| 13 |
27 |
|
C |
5 |
2 |
14223 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
3 |
14230 |
64.7 |
1.0 |
0.675 |
1 |
2 |
0 |
0.000 |
| 14 |
28 |
|
[NAD]C:9 |
5 |
1 |
860 |
◊ |
[SO4]C:11 |
x,y,z |
1_555 |
5 |
1 |
187 |
47.2 |
-6.3 |
0.713 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAD]B:5 |
5 |
1 |
860 |
◊ |
[SO4]B:7 |
x,y,z |
1_555 |
5 |
1 |
187 |
47.2 |
-6.3 |
0.713 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAD]D:13 |
5 |
1 |
861 |
◊ |
[SO4]D:332 |
x,y,z |
1_555 |
5 |
1 |
187 |
47.0 |
-6.3 |
0.712 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAD]A:1 |
5 |
1 |
861 |
◊ |
[SO4]A:3 |
x,y,z |
1_555 |
5 |
1 |
187 |
47.0 |
-6.3 |
0.712 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
-6.3 |
0.713 |
0 |
0 |
0 |
0.000 |
| 15 |
32 |
|
[SO4]A:4 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
14223 |
45.1 |
-4.7 |
0.927 |
1 |
0 |
0 |
0.000 |
33 |
|
[SO4]D:333 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
14223 |
45.1 |
-4.7 |
0.927 |
1 |
0 |
0 |
0.000 |
34 |
|
[SO4]C:12 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
8 |
1 |
14230 |
45.0 |
-4.6 |
0.928 |
1 |
0 |
0 |
0.000 |
35 |
|
[SO4]B:8 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
14230 |
45.0 |
-4.6 |
0.928 |
1 |
0 |
0 |
0.000 |
| Average: |
45.0 |
-4.7 |
0.927 |
1 |
0 |
0 |
0.000 |
| 16 |
36 |
|
B |
1 |
1 |
14223 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
14230 |
11.5 |
0.6 |
0.889 |
0 |
0 |
0 |
0.000 |
| 17 |
37 |
|
[FBP]D:2 |
1 |
1 |
483 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14223 |
8.8 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
38 |
|
[FBP]C:6 |
2 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14230 |
8.7 |
0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| Average: |
8.7 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
|