| ## |
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 |
168 |
45 |
11166 |
◊ |
C |
x,y,z |
1_555 |
162 |
44 |
11572 |
1561.7 |
-18.3 |
0.222 |
22 |
2 |
0 |
0.312 |
2 |
|
B |
162 |
43 |
11114 |
◊ |
A |
x,y,z |
1_555 |
166 |
44 |
11352 |
1534.5 |
-16.7 |
0.252 |
20 |
2 |
0 |
0.312 |
| Average: |
1548.1 |
-17.5 |
0.237 |
21 |
2 |
0 |
0.312 |
| 2 |
3 |
|
B |
100 |
28 |
11114 |
◊ |
C |
x-1,y,z |
1_455 |
88 |
26 |
11572 |
848.0 |
-12.7 |
0.158 |
4 |
1 |
0 |
0.300 |
4 |
|
A |
90 |
25 |
11352 |
◊ |
D |
x-1,y,z |
1_455 |
88 |
25 |
11166 |
787.4 |
-12.6 |
0.155 |
4 |
3 |
0 |
0.300 |
| Average: |
817.7 |
-12.6 |
0.157 |
4 |
2 |
0 |
0.300 |
| 3 |
5 |
|
[NAP]A:249 |
26 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
52 |
19 |
11352 |
375.0 |
0.7 |
0.622 |
10 |
0 |
0 |
0.044 |
| 4 |
6 |
|
A |
45 |
15 |
11352 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
42 |
13 |
11114 |
355.2 |
-1.9 |
0.607 |
4 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
40 |
15 |
11166 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
46 |
14 |
11572 |
334.8 |
-1.5 |
0.663 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
38 |
8 |
11572 |
◊ |
B |
x,y,z |
1_555 |
35 |
8 |
11114 |
281.3 |
0.3 |
0.764 |
1 |
0 |
0 |
0.000 |
9 |
|
D |
32 |
8 |
11166 |
◊ |
A |
x,y-1,z |
1_545 |
33 |
9 |
11352 |
262.8 |
-0.9 |
0.670 |
1 |
0 |
0 |
0.000 |
| Average: |
272.0 |
-0.3 |
0.717 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
D |
32 |
10 |
11166 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
11352 |
207.3 |
2.8 |
0.910 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
27 |
9 |
11572 |
◊ |
B |
x,y-1,z |
1_545 |
25 |
10 |
11114 |
166.2 |
2.2 |
0.869 |
0 |
0 |
0 |
0.000 |
| Average: |
186.7 |
2.5 |
0.889 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
D |
9 |
3 |
11166 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
6 |
11114 |
126.6 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
11 |
4 |
11166 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11114 |
60.0 |
-0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
9 |
3 |
11572 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
1 |
11352 |
56.1 |
-0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
4 |
1 |
11572 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11352 |
54.7 |
-0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
| Average: |
74.4 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[SO4]D:251 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
11166 |
102.9 |
-14.5 |
0.798 |
5 |
0 |
0 |
0.167 |
| 10 |
17 |
|
A |
12 |
3 |
11352 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
11572 |
86.6 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[SO4]C:251 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
11572 |
85.9 |
-12.1 |
0.801 |
1 |
0 |
0 |
0.269 |
| 12 |
19 |
|
[SO4]D:250 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
11166 |
83.3 |
-11.8 |
0.828 |
5 |
0 |
0 |
0.141 |
| 13 |
20 |
|
[SO4]A:250 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11352 |
77.6 |
-9.5 |
0.944 |
5 |
0 |
0 |
0.141 |
| 14 |
21 |
|
[SO4]A:250 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11114 |
73.6 |
-8.0 |
0.944 |
5 |
0 |
0 |
0.123 |
| 15 |
22 |
|
D |
7 |
3 |
11166 |
f |
[SO4]A:252 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
72.4 |
-9.6 |
0.666 |
1 |
0 |
0 |
0.101 |
| 16 |
23 |
|
[SO4]D:250 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11572 |
72.2 |
-8.3 |
0.941 |
5 |
0 |
0 |
0.093 |
| 17 |
24 |
|
[SO4]C:249 |
5 |
1 |
186 |
f |
B |
x,y-1,z |
1_545 |
10 |
4 |
11114 |
70.9 |
-10.3 |
0.754 |
2 |
0 |
0 |
0.239 |
| 18 |
25 |
|
[SO4]C:250 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
11572 |
70.0 |
-9.2 |
0.714 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[SO4]D:249 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11166 |
69.1 |
-9.1 |
0.740 |
0 |
0 |
0 |
0.092 |
| 20 |
27 |
|
[SO4]C:250 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11114 |
68.9 |
-9.4 |
0.656 |
2 |
0 |
0 |
0.219 |
| 21 |
28 |
|
[SO4]A:251 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11352 |
68.6 |
-9.3 |
0.793 |
2 |
0 |
0 |
0.122 |
| 22 |
29 |
|
[SO4]D:252 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11166 |
67.1 |
-8.7 |
0.775 |
1 |
0 |
0 |
0.092 |
| 23 |
30 |
|
[SO4]A:252 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11352 |
65.4 |
-8.7 |
0.653 |
1 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[SO4]C:249 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
11572 |
45.9 |
-4.4 |
0.966 |
2 |
0 |
0 |
0.114 |
| 25 |
32 |
|
[SO4]C:251 |
4 |
1 |
187 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
3 |
11114 |
45.5 |
-4.5 |
0.954 |
2 |
0 |
0 |
0.116 |
| 26 |
33 |
|
[SO4]A:251 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
11166 |
43.3 |
-5.1 |
0.941 |
1 |
0 |
0 |
0.006 |
| 27 |
34 |
|
[SO4]D:249 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11352 |
42.5 |
-4.7 |
0.935 |
2 |
0 |
0 |
0.006 |
| 28 |
35 |
|
D |
9 |
3 |
11166 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
6 |
2 |
11114 |
41.9 |
0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
A |
7 |
3 |
11352 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
3 |
2 |
11572 |
37.4 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[SO4]D:252 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11572 |
18.2 |
-2.0 |
0.854 |
0 |
0 |
0 |
0.018 |
| 31 |
38 |
|
[SO4]C:251 |
1 |
1 |
187 |
◊ |
[SO4]C:249 |
x,y,z |
1_555 |
1 |
1 |
186 |
17.6 |
-4.2 |
0.800 |
0 |
0 |
0 |
0.090 |
| 32 |
39 |
|
[NAP]A:249 |
1 |
1 |
556 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
11114 |
17.3 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[SO4]D:249 |
3 |
1 |
184 |
◊ |
[SO4]A:251 |
x,y,z |
1_555 |
2 |
1 |
186 |
13.9 |
-3.3 |
0.976 |
0 |
0 |
0 |
0.003 |
| 34 |
41 |
|
A |
1 |
1 |
11352 |
◊ |
[SO4]D:252 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
1.3 |
-0.2 |
0.713 |
0 |
0 |
0 |
0.002 |
|