## |
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 |
52 |
20 |
7586 |
◊ |
A |
x,y,z |
1_555 |
56 |
18 |
7623 |
513.8 |
-1.5 |
0.605 |
8 |
0 |
0 |
0.058 |
2 |
2 |
|
A |
58 |
22 |
7623 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
54 |
19 |
7586 |
471.5 |
-2.9 |
0.508 |
4 |
0 |
0 |
0.006 |
3 |
3 |
|
B |
43 |
13 |
7586 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
51 |
16 |
7623 |
450.3 |
-2.2 |
0.519 |
8 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
39 |
11 |
7623 |
x |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
32 |
11 |
7623 |
311.9 |
1.9 |
0.855 |
6 |
0 |
0 |
0.000 |
5 |
5 |
|
[FVQ]B:201 |
21 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
36 |
15 |
7586 |
290.4 |
2.0 |
0.476 |
12 |
0 |
0 |
0.067 |
6 |
|
[FVQ]A:201 |
21 |
1 |
493 |
f |
A |
x,y,z |
1_555 |
40 |
15 |
7623 |
286.7 |
1.9 |
0.464 |
10 |
0 |
0 |
0.067 |
Average: |
288.6 |
2.0 |
0.470 |
11 |
0 |
0 |
0.067 |
6 |
7 |
|
A |
23 |
7 |
7623 |
◊ |
B |
y,x-1,-z |
4_545 |
17 |
6 |
7586 |
180.3 |
-0.2 |
0.664 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
19 |
4 |
7586 |
◊ |
B |
y,x,-z |
4_555 |
18 |
4 |
7586 |
130.8 |
-1.1 |
0.503 |
2 |
0 |
0 |
0.012 |
8 |
9 |
|
B |
13 |
5 |
7586 |
◊ |
A |
y,x,-z |
4_555 |
12 |
3 |
7623 |
111.9 |
-0.8 |
0.447 |
1 |
0 |
0 |
0.015 |
9 |
10 |
|
B |
10 |
4 |
7586 |
x |
B |
x-y-1,-y-1,-z-1/3 |
5_444 |
17 |
8 |
7586 |
100.3 |
-0.8 |
0.477 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
12 |
4 |
7623 |
f |
[SO4]B:1160 |
-y-1,x-y-1,z+1/3 |
2_445 |
5 |
1 |
185 |
85.2 |
-9.5 |
0.951 |
3 |
0 |
0 |
0.125 |
11 |
12 |
|
[SO4]B:1161 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
7586 |
74.9 |
-11.4 |
0.709 |
4 |
0 |
0 |
0.153 |
12 |
13 |
|
[SO4]B:1163 |
5 |
1 |
185 |
f |
B |
y,x,-z |
4_555 |
12 |
3 |
7586 |
74.2 |
-9.9 |
0.857 |
4 |
0 |
0 |
0.134 |
13 |
14 |
|
[SO4]B:1159 |
4 |
1 |
185 |
f |
A |
y,x,-z |
4_555 |
10 |
4 |
7623 |
61.6 |
-8.3 |
0.686 |
2 |
0 |
0 |
0.106 |
14 |
15 |
|
[NI]A:1159 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7623 |
53.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.170 |
16 |
|
[NI]B:1162 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7586 |
52.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
53.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.170 |
15 |
17 |
|
[SO4]B:1159 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7586 |
49.8 |
-4.7 |
0.959 |
2 |
0 |
0 |
0.065 |
16 |
18 |
|
[SO4]B:1159 |
4 |
1 |
185 |
◊ |
B |
y,x,-z |
4_555 |
5 |
3 |
7586 |
45.0 |
-4.3 |
0.969 |
1 |
0 |
0 |
0.055 |
17 |
19 |
|
[SO4]B:1160 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7586 |
41.9 |
-4.2 |
0.948 |
1 |
0 |
0 |
0.006 |
18 |
20 |
|
B |
4 |
2 |
7586 |
◊ |
A |
-y-1,x-y-1,z-2/3 |
2_444 |
7 |
3 |
7623 |
38.3 |
1.3 |
0.885 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[SO4]B:1163 |
3 |
1 |
185 |
◊ |
[SO4]B:1163 |
y,x,-z |
4_555 |
4 |
1 |
185 |
26.6 |
-5.9 |
0.995 |
0 |
0 |
0 |
0.034 |
20 |
22 |
|
[SO4]B:1161 |
3 |
1 |
185 |
◊ |
A |
-y-1,x-y-1,z-2/3 |
2_444 |
2 |
2 |
7623 |
24.5 |
-1.6 |
0.985 |
2 |
0 |
0 |
0.000 |
21 |
23 |
|
A |
5 |
2 |
7623 |
◊ |
[NI]B:1162 |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
115 |
11.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
22 |
24 |
|
[SO4]B:1163 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7623 |
4.2 |
-0.5 |
0.867 |
0 |
0 |
0 |
0.005 |
23 |
25 |
|
[SO4]B:1160 |
1 |
1 |
185 |
◊ |
A |
-y-1,x-y-1,z-2/3 |
2_444 |
1 |
1 |
7623 |
3.7 |
-0.4 |
0.861 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
B |
1 |
1 |
7586 |
◊ |
[NI]A:1159 |
-y-1,x-y-1,z-2/3 |
2_444 |
1 |
1 |
115 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[SO4]B:1163 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7586 |
0.7 |
-0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
|