| ## |
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 |
60 |
15 |
6288 |
◊ |
B |
x,y,z |
1_555 |
60 |
16 |
6362 |
566.8 |
-9.4 |
0.082 |
3 |
6 |
0 |
0.297 |
2 |
|
B |
61 |
15 |
6362 |
◊ |
A |
x,y,z |
1_555 |
66 |
18 |
6314 |
560.2 |
-8.2 |
0.122 |
4 |
7 |
0 |
0.297 |
3 |
|
C |
65 |
18 |
6288 |
◊ |
A |
x,y,z |
1_555 |
59 |
15 |
6314 |
552.7 |
-8.7 |
0.113 |
4 |
6 |
0 |
0.297 |
| Average: |
559.9 |
-8.8 |
0.106 |
4 |
6 |
0 |
0.297 |
| 2 |
4 |
|
[HEC]C:201 |
43 |
1 |
822 |
cf |
C |
x,y,z |
1_555 |
70 |
22 |
6288 |
553.3 |
-18.2 |
0.408 |
0 |
0 |
0 |
0.498 |
5 |
|
[HEC]A:201 |
43 |
1 |
815 |
cf |
A |
x,y,z |
1_555 |
71 |
22 |
6314 |
538.1 |
-19.2 |
0.236 |
0 |
0 |
0 |
0.498 |
6 |
|
[HEC]B:201 |
43 |
1 |
819 |
cf |
B |
x,y,z |
1_555 |
69 |
21 |
6362 |
534.0 |
-19.6 |
0.301 |
0 |
0 |
0 |
0.498 |
| Average: |
541.8 |
-19.0 |
0.315 |
0 |
0 |
0 |
0.498 |
| 3 |
7 |
|
B |
50 |
15 |
6362 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
16 |
6314 |
464.5 |
7.0 |
0.945 |
8 |
5 |
0 |
0.000 |
| 4 |
8 |
|
C |
24 |
7 |
6288 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
7 |
6314 |
221.9 |
1.1 |
0.753 |
3 |
2 |
0 |
0.000 |
| 5 |
9 |
|
B |
20 |
7 |
6362 |
x |
B |
x-1,y,z |
1_455 |
15 |
5 |
6362 |
152.1 |
-1.4 |
0.455 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[HEC]B:201 |
15 |
1 |
819 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
6314 |
109.2 |
-1.8 |
0.918 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
11 |
4 |
6288 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
7 |
6362 |
107.9 |
1.7 |
0.820 |
2 |
1 |
0 |
0.000 |
| 8 |
12 |
|
B |
11 |
5 |
6362 |
◊ |
[HEC]A:201 |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
1 |
815 |
102.1 |
-1.5 |
0.902 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
16 |
6 |
6314 |
x |
A |
x-1,y,z |
1_455 |
14 |
4 |
6314 |
95.4 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
C |
14 |
4 |
6288 |
x |
C |
x-1,y,z |
1_455 |
13 |
4 |
6288 |
95.1 |
-1.0 |
0.487 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6362 |
54.4 |
-7.0 |
0.766 |
2 |
0 |
0 |
0.069 |
| 12 |
16 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6314 |
53.3 |
-7.1 |
0.720 |
2 |
0 |
0 |
0.070 |
| 13 |
17 |
|
C |
6 |
3 |
6288 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
6314 |
52.5 |
1.5 |
0.864 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
6288 |
52.2 |
-6.7 |
0.797 |
2 |
0 |
0 |
0.066 |
| 15 |
19 |
|
[HEC]B:201 |
5 |
1 |
819 |
◊ |
[HEC]A:201 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
815 |
47.0 |
-1.5 |
0.814 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[FE2]A:202 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6288 |
39.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.120 |
21 |
|
[FE2]A:202 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6314 |
39.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.120 |
22 |
|
[FE2]A:202 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6362 |
39.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
39.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.120 |
| 17 |
23 |
|
B |
5 |
2 |
6362 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
6314 |
36.4 |
0.9 |
0.789 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[HEC]C:201 |
4 |
1 |
822 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
6362 |
13.8 |
-0.6 |
0.752 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
C |
2 |
1 |
6288 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
6362 |
3.7 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
|