| ## |
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 |
|
B |
132 |
33 |
22413 |
◊ |
A |
x,y,z |
1_555 |
129 |
30 |
21848 |
1123.6 |
-5.0 |
0.483 |
13 |
4 |
0 |
0.100 |
2 |
|
C |
115 |
30 |
21614 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
118 |
31 |
21614 |
1033.2 |
-7.8 |
0.334 |
12 |
2 |
0 |
0.100 |
| Average: |
1078.4 |
-6.4 |
0.409 |
13 |
3 |
0 |
0.100 |
| 2 |
3 |
|
C |
56 |
21 |
21614 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
54 |
18 |
21848 |
535.3 |
-5.7 |
0.206 |
3 |
1 |
0 |
0.121 |
4 |
|
B |
60 |
19 |
22413 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
53 |
18 |
21614 |
527.0 |
-6.4 |
0.183 |
2 |
1 |
0 |
0.121 |
5 |
|
B |
45 |
15 |
22413 |
◊ |
A |
-x,y,-z+1 |
2_556 |
53 |
16 |
21848 |
429.9 |
-6.5 |
0.138 |
1 |
1 |
0 |
0.121 |
| Average: |
497.4 |
-6.2 |
0.175 |
2 |
1 |
0 |
0.121 |
| 3 |
6 |
|
C |
40 |
13 |
21614 |
◊ |
A |
x,y,z |
1_555 |
40 |
14 |
21848 |
408.8 |
0.9 |
0.738 |
4 |
5 |
0 |
0.000 |
| 4 |
7 |
|
[20V]A:602 |
30 |
1 |
728 |
f |
A |
x,y,z |
1_555 |
48 |
17 |
21848 |
360.7 |
2.7 |
0.621 |
6 |
0 |
0 |
0.007 |
8 |
|
[20V]C:602 |
29 |
1 |
729 |
f |
C |
x,y,z |
1_555 |
48 |
19 |
21614 |
358.7 |
2.5 |
0.651 |
6 |
0 |
0 |
0.007 |
| Average: |
359.7 |
2.6 |
0.636 |
6 |
0 |
0 |
0.007 |
| 5 |
9 |
|
[20V]B:602 |
27 |
1 |
737 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
22413 |
348.9 |
1.8 |
0.578 |
7 |
0 |
0 |
0.008 |
| 6 |
10 |
|
A |
38 |
14 |
21848 |
◊ |
B |
x,y,z-1 |
1_554 |
35 |
14 |
22413 |
346.2 |
-1.1 |
0.546 |
6 |
0 |
0 |
0.024 |
11 |
|
C |
27 |
9 |
21614 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
27 |
9 |
21614 |
264.3 |
0.5 |
0.706 |
4 |
0 |
0 |
0.024 |
| Average: |
305.2 |
-0.3 |
0.626 |
5 |
0 |
0 |
0.024 |
| 7 |
12 |
|
[20V]C:601 |
24 |
1 |
737 |
f |
C |
x,y,z |
1_555 |
38 |
13 |
21614 |
298.2 |
2.1 |
0.545 |
8 |
0 |
0 |
0.059 |
13 |
|
[20V]A:601 |
25 |
1 |
725 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
21848 |
297.2 |
1.6 |
0.504 |
7 |
0 |
0 |
0.059 |
14 |
|
[20V]B:601 |
24 |
1 |
737 |
f |
B |
x,y,z |
1_555 |
36 |
12 |
22413 |
291.2 |
0.8 |
0.467 |
6 |
0 |
0 |
0.059 |
| Average: |
295.5 |
1.5 |
0.505 |
7 |
0 |
0 |
0.059 |
| 8 |
15 |
|
B |
30 |
10 |
22413 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
30 |
10 |
22413 |
264.8 |
-4.1 |
0.193 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[20V]B:602 |
32 |
1 |
737 |
f |
[20V]B:601 |
x,y,z |
1_555 |
30 |
1 |
737 |
212.8 |
-0.7 |
0.087 |
1 |
0 |
0 |
0.033 |
17 |
|
[20V]C:602 |
34 |
1 |
729 |
f |
[20V]C:601 |
x,y,z |
1_555 |
31 |
1 |
737 |
211.1 |
-0.8 |
0.089 |
0 |
0 |
0 |
0.033 |
18 |
|
[20V]A:602 |
34 |
1 |
728 |
f |
[20V]A:601 |
x,y,z |
1_555 |
31 |
1 |
725 |
209.3 |
-0.9 |
0.080 |
0 |
0 |
0 |
0.033 |
| Average: |
211.1 |
-0.8 |
0.085 |
0 |
0 |
0 |
0.033 |
| 10 |
19 |
|
[SO4]A:605 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
21848 |
110.6 |
-16.3 |
0.559 |
1 |
0 |
0 |
0.109 |
| 11 |
20 |
|
[SO4]B:603 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
22413 |
102.0 |
-16.0 |
0.699 |
4 |
0 |
0 |
0.115 |
| 12 |
21 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21848 |
100.7 |
-15.7 |
0.674 |
5 |
0 |
0 |
0.116 |
| 13 |
22 |
|
[SO4]B:606 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
22413 |
93.2 |
-13.0 |
0.828 |
1 |
0 |
0 |
0.087 |
| 14 |
23 |
|
[SO4]A:604 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
21848 |
81.9 |
-11.5 |
0.661 |
1 |
0 |
0 |
0.077 |
| 15 |
24 |
|
[SO4]A:608 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21848 |
78.0 |
-10.6 |
0.846 |
3 |
0 |
0 |
0.077 |
| 16 |
25 |
|
[SO4]A:606 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
21848 |
73.2 |
-9.6 |
0.858 |
2 |
0 |
0 |
0.068 |
| 17 |
26 |
|
[SO4]B:604 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
22413 |
71.3 |
-10.1 |
0.739 |
2 |
0 |
0 |
0.071 |
| 18 |
27 |
|
A |
6 |
2 |
21848 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
21848 |
43.4 |
-0.8 |
0.347 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[SO4]A:606 |
4 |
1 |
187 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
22413 |
40.5 |
-5.2 |
0.576 |
0 |
0 |
0 |
0.033 |
| 20 |
29 |
|
[SO4]A:608 |
4 |
1 |
187 |
f |
[SO4]A:607 |
x,y,z |
1_555 |
4 |
1 |
186 |
31.2 |
-7.0 |
0.998 |
0 |
0 |
0 |
0.045 |
| 21 |
30 |
|
[SO4]B:605 |
3 |
1 |
188 |
f |
[SO4]B:604 |
x,y,z |
1_555 |
3 |
1 |
187 |
30.8 |
-7.1 |
0.992 |
0 |
0 |
0 |
0.046 |
| 22 |
31 |
|
[SO4]A:603 |
3 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
22413 |
27.8 |
-3.6 |
0.357 |
0 |
0 |
0 |
0.023 |
| 23 |
32 |
|
[SO4]A:607 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
21848 |
27.7 |
-3.3 |
0.898 |
0 |
0 |
0 |
0.021 |
| 24 |
33 |
|
[SO4]A:607 |
3 |
1 |
186 |
◊ |
[SO4]B:605 |
x,y,z-1 |
1_554 |
3 |
1 |
188 |
14.2 |
-3.1 |
0.992 |
0 |
0 |
0 |
0.020 |
| 25 |
34 |
|
A |
2 |
1 |
21848 |
◊ |
[SO4]B:603 |
x,y,z-1 |
1_554 |
3 |
1 |
187 |
10.6 |
-1.4 |
0.574 |
0 |
0 |
0 |
0.009 |
| 26 |
35 |
|
[SO4]A:608 |
3 |
1 |
187 |
f |
[SO4]A:606 |
x,y,z |
1_555 |
2 |
1 |
187 |
8.6 |
-1.9 |
0.976 |
0 |
0 |
0 |
0.012 |
| 27 |
36 |
|
[SO4]A:608 |
1 |
1 |
187 |
◊ |
[SO4]B:604 |
x,y,z-1 |
1_554 |
1 |
1 |
187 |
0.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
| 28 |
37 |
|
C |
1 |
1 |
21614 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
21848 |
0.3 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|