| ## |
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 |
125 |
33 |
21146 |
◊ |
A |
x,y,z |
1_555 |
125 |
33 |
21168 |
1160.5 |
-8.6 |
0.443 |
10 |
0 |
0 |
0.070 |
2 |
|
D |
126 |
34 |
21358 |
◊ |
B |
x,y,z |
1_555 |
125 |
33 |
21131 |
1153.7 |
-7.9 |
0.465 |
12 |
0 |
0 |
0.070 |
| Average: |
1157.1 |
-8.3 |
0.454 |
11 |
0 |
0 |
0.070 |
| 2 |
3 |
|
C |
81 |
21 |
21146 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
21131 |
887.7 |
-17.0 |
0.006 |
3 |
4 |
0 |
0.105 |
4 |
|
D |
83 |
20 |
21358 |
◊ |
A |
x,y,z |
1_555 |
84 |
21 |
21168 |
882.8 |
-17.0 |
0.007 |
3 |
4 |
0 |
0.105 |
| Average: |
885.3 |
-17.0 |
0.006 |
3 |
4 |
0 |
0.105 |
| 3 |
5 |
|
[FDA]B:511 |
52 |
1 |
1011 |
f |
B |
x,y,z |
1_555 |
107 |
43 |
21131 |
714.1 |
-7.2 |
0.559 |
17 |
0 |
0 |
0.165 |
6 |
|
[FDA]D:511 |
52 |
1 |
1014 |
f |
D |
x,y,z |
1_555 |
105 |
42 |
21358 |
711.6 |
-7.3 |
0.553 |
17 |
0 |
0 |
0.165 |
7 |
|
[FDA]A:511 |
52 |
1 |
1009 |
f |
A |
x,y,z |
1_555 |
106 |
42 |
21168 |
705.8 |
-6.7 |
0.550 |
17 |
0 |
0 |
0.165 |
8 |
|
[FDA]C:511 |
51 |
1 |
995 |
f |
C |
x,y,z |
1_555 |
104 |
43 |
21146 |
695.0 |
-7.1 |
0.566 |
17 |
0 |
0 |
0.165 |
| Average: |
706.6 |
-7.1 |
0.557 |
17 |
0 |
0 |
0.165 |
| 4 |
9 |
|
C |
63 |
20 |
21146 |
◊ |
D |
x-y,x,z-1/6 |
6_554 |
60 |
19 |
21358 |
564.1 |
-6.3 |
0.284 |
2 |
0 |
0 |
0.000 |
| 5 |
10 |
|
D |
40 |
14 |
21358 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
52 |
18 |
21168 |
412.7 |
-2.0 |
0.553 |
6 |
1 |
0 |
0.027 |
| 6 |
11 |
|
B |
47 |
18 |
21131 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
47 |
18 |
21131 |
333.9 |
-3.7 |
0.411 |
2 |
0 |
0 |
0.006 |
| 7 |
12 |
|
A |
21 |
8 |
21168 |
◊ |
B |
x-y+1,x,z-1/6 |
6_654 |
26 |
8 |
21131 |
242.0 |
-2.2 |
0.387 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
B |
21 |
6 |
21131 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
24 |
7 |
21168 |
203.7 |
1.9 |
0.849 |
4 |
1 |
0 |
0.000 |
| 9 |
14 |
|
A |
30 |
11 |
21168 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
30 |
11 |
21168 |
195.1 |
-2.3 |
0.443 |
0 |
0 |
0 |
0.006 |
| 10 |
15 |
|
C |
12 |
5 |
21146 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
17 |
7 |
21131 |
137.3 |
-1.8 |
0.331 |
0 |
0 |
0 |
0.005 |
| 11 |
16 |
|
[SO4]C:514 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
21146 |
109.3 |
-13.7 |
0.918 |
3 |
0 |
0 |
0.081 |
| 12 |
17 |
|
[SO4]D:516 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
21358 |
109.3 |
-14.3 |
0.906 |
3 |
0 |
0 |
0.089 |
| 13 |
18 |
|
[SO4]B:516 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
21131 |
108.7 |
-16.2 |
0.677 |
2 |
0 |
0 |
0.092 |
| 14 |
19 |
|
[SO4]A:516 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21168 |
103.2 |
-15.1 |
0.781 |
3 |
0 |
0 |
0.093 |
| 15 |
20 |
|
[SO4]C:517 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
21146 |
89.9 |
-8.7 |
0.977 |
4 |
0 |
0 |
0.057 |
| 16 |
21 |
|
[SO4]C:512 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
21146 |
87.5 |
-13.0 |
0.789 |
4 |
0 |
0 |
0.080 |
| 17 |
22 |
|
[SO4]B:512 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21131 |
87.2 |
-8.9 |
0.977 |
4 |
0 |
0 |
0.057 |
| 18 |
23 |
|
[SO4]D:512 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
21358 |
86.7 |
-12.8 |
0.794 |
3 |
0 |
0 |
0.080 |
| 19 |
24 |
|
[SO4]A:512 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
21168 |
86.6 |
-12.7 |
0.770 |
4 |
0 |
0 |
0.082 |
| 20 |
25 |
|
[SO4]D:514 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
21358 |
84.5 |
-8.3 |
0.974 |
4 |
0 |
0 |
0.057 |
| 21 |
26 |
|
[SO4]A:514 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21168 |
84.3 |
-8.4 |
0.968 |
4 |
0 |
0 |
0.058 |
| 22 |
27 |
|
[SO4]B:513 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
21131 |
84.2 |
-12.5 |
0.743 |
3 |
0 |
0 |
0.074 |
| 23 |
28 |
|
[SO4]A:515 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21168 |
70.8 |
-9.7 |
0.756 |
2 |
0 |
0 |
0.060 |
| 24 |
29 |
|
[SO4]C:515 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
21146 |
69.7 |
-10.0 |
0.653 |
1 |
0 |
0 |
0.056 |
| 25 |
30 |
|
[SO4]C:516 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
21146 |
69.1 |
-9.1 |
0.930 |
3 |
0 |
0 |
0.056 |
| 26 |
31 |
|
[SO4]B:514 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21131 |
69.0 |
-9.9 |
0.734 |
1 |
0 |
0 |
0.056 |
| 27 |
32 |
|
[SO4]D:513 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
21358 |
68.8 |
-9.3 |
0.702 |
2 |
0 |
0 |
0.058 |
| 28 |
33 |
|
[SO4]A:517 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21168 |
68.0 |
-10.1 |
0.737 |
3 |
0 |
0 |
0.064 |
| 29 |
34 |
|
[SO4]A:517 |
4 |
1 |
185 |
◊ |
D |
-y+1,-x+1,-z+7/6 |
10_666 |
7 |
3 |
21358 |
66.7 |
-8.9 |
0.923 |
4 |
0 |
0 |
0.060 |
| 30 |
35 |
|
[SO4]B:515 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
21131 |
66.2 |
-8.2 |
0.894 |
2 |
0 |
0 |
0.049 |
| 31 |
36 |
|
[SO4]A:513 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21168 |
65.8 |
-9.3 |
0.686 |
3 |
0 |
0 |
0.060 |
| 32 |
37 |
|
[SO4]C:513 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
21146 |
62.4 |
-7.6 |
0.888 |
2 |
0 |
0 |
0.046 |
| 33 |
38 |
|
[SO4]D:515 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
21358 |
62.4 |
-7.4 |
0.895 |
2 |
0 |
0 |
0.047 |
| 34 |
39 |
|
[SO4]C:518 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
21146 |
55.7 |
-5.6 |
0.973 |
3 |
0 |
0 |
0.037 |
| 35 |
40 |
|
B |
5 |
1 |
21131 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
21168 |
37.6 |
-1.0 |
0.221 |
0 |
0 |
0 |
0.005 |
41 |
|
D |
5 |
1 |
21358 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
21146 |
37.0 |
-1.0 |
0.217 |
0 |
0 |
0 |
0.005 |
| Average: |
37.3 |
-1.0 |
0.219 |
0 |
0 |
0 |
0.005 |
| 36 |
42 |
|
[SO4]C:518 |
3 |
1 |
185 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
5 |
2 |
21131 |
31.1 |
-3.3 |
0.899 |
0 |
0 |
0 |
0.009 |
|