| ## |
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 |
157 |
42 |
20116 |
◊ |
A |
x,y,z |
1_555 |
156 |
42 |
19904 |
1455.8 |
-10.9 |
0.257 |
28 |
4 |
0 |
0.287 |
| 2 |
2 |
|
A |
135 |
43 |
19904 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
133 |
43 |
19904 |
1196.5 |
-2.7 |
0.682 |
12 |
6 |
0 |
0.000 |
| 3 |
3 |
|
A |
104 |
33 |
19904 |
x |
A |
-y,x-y,z |
2_555 |
99 |
25 |
19904 |
993.2 |
-7.9 |
0.249 |
17 |
6 |
0 |
0.355 |
4 |
|
B |
99 |
25 |
20116 |
x |
B |
-y,x-y,z |
2_555 |
110 |
33 |
20116 |
989.5 |
-7.9 |
0.222 |
16 |
6 |
0 |
0.355 |
| Average: |
991.4 |
-7.9 |
0.236 |
17 |
6 |
0 |
0.355 |
| 4 |
5 |
|
A |
75 |
20 |
19904 |
◊ |
B |
-y,x-y,z |
2_555 |
75 |
21 |
20116 |
670.2 |
-1.3 |
0.625 |
9 |
0 |
0 |
0.044 |
| 5 |
6 |
|
B |
32 |
7 |
20116 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
22 |
8 |
19904 |
238.4 |
0.9 |
0.741 |
4 |
3 |
0 |
0.000 |
| 6 |
7 |
|
B |
28 |
6 |
20116 |
◊ |
B |
y+1/3,x-1/3,-z+2/3 |
16_545 |
29 |
6 |
20116 |
229.4 |
0.4 |
0.676 |
2 |
4 |
0 |
0.000 |
| 7 |
8 |
|
B |
20 |
6 |
20116 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
20 |
6 |
20116 |
203.0 |
2.1 |
0.844 |
2 |
4 |
0 |
0.000 |
| 8 |
9 |
|
[CIT]A:601 |
12 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
19904 |
195.1 |
2.5 |
0.598 |
7 |
0 |
0 |
0.014 |
| 9 |
10 |
|
[CIT]B:602 |
13 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
34 |
17 |
20116 |
190.1 |
2.5 |
0.609 |
6 |
0 |
0 |
0.003 |
| 10 |
11 |
|
B |
18 |
6 |
20116 |
◊ |
A |
-x+1/3,-x+y-1/3,-z+2/3 |
18_545 |
17 |
4 |
19904 |
173.6 |
-0.3 |
0.593 |
1 |
3 |
0 |
0.000 |
| 11 |
12 |
|
[CIT]B:601 |
11 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
19904 |
144.4 |
-0.0 |
0.369 |
1 |
0 |
0 |
0.010 |
| 12 |
13 |
|
[CIT]B:601 |
10 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
21 |
10 |
20116 |
113.7 |
0.9 |
0.492 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[SO4]B:604 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
20116 |
86.4 |
-15.5 |
0.701 |
6 |
0 |
0 |
0.399 |
| 14 |
15 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19904 |
85.7 |
-15.4 |
0.754 |
6 |
0 |
0 |
0.393 |
| 15 |
16 |
|
B |
7 |
2 |
20116 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
8_555 |
5 |
3 |
19904 |
49.5 |
-0.6 |
0.297 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[CIT]B:601 |
5 |
1 |
316 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
2 |
1 |
20116 |
46.7 |
1.4 |
0.639 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19904 |
43.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
19 |
|
[MN]B:603 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
20116 |
43.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
43.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| 18 |
20 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
[CIT]A:601 |
x,y,z |
1_555 |
3 |
1 |
315 |
36.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.043 |
21 |
|
[MN]B:603 |
1 |
1 |
123 |
f |
[CIT]B:602 |
x,y,z |
1_555 |
3 |
1 |
309 |
35.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
36.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| 19 |
22 |
|
[SO4]A:603 |
4 |
1 |
186 |
f |
[CIT]A:601 |
x,y,z |
1_555 |
4 |
1 |
315 |
32.5 |
-2.5 |
0.676 |
0 |
0 |
0 |
0.054 |
| 20 |
23 |
|
[SO4]B:604 |
4 |
1 |
187 |
f |
[CIT]B:602 |
x,y,z |
1_555 |
6 |
1 |
309 |
31.9 |
-3.4 |
0.501 |
0 |
0 |
0 |
0.075 |
| 21 |
24 |
|
A |
5 |
3 |
19904 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
5 |
3 |
19904 |
30.8 |
-1.9 |
0.086 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[SO4]B:604 |
1 |
1 |
187 |
f |
[MN]B:603 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.059 |
| 23 |
26 |
|
[SO4]A:603 |
1 |
1 |
186 |
f |
[MN]A:602 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.057 |
|