## |
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 |
88 |
26 |
8803 |
◊ |
A |
x,y,z |
1_555 |
92 |
25 |
8695 |
810.4 |
-0.4 |
0.681 |
7 |
4 |
0 |
0.040 |
2 |
2 |
|
[NDP]B:201 |
48 |
1 |
929 |
f |
B |
x,y,z |
1_555 |
91 |
30 |
8803 |
657.4 |
-3.3 |
0.495 |
25 |
0 |
0 |
0.274 |
3 |
|
[NDP]A:201 |
47 |
1 |
928 |
f |
A |
x,y,z |
1_555 |
87 |
30 |
8695 |
655.6 |
-2.9 |
0.524 |
25 |
0 |
0 |
0.274 |
Average: |
656.5 |
-3.1 |
0.509 |
25 |
0 |
0 |
0.274 |
3 |
4 |
|
B |
65 |
19 |
8803 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
72 |
23 |
8695 |
597.6 |
-3.1 |
0.416 |
6 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
63 |
20 |
8803 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
53 |
16 |
8695 |
518.4 |
-2.9 |
0.435 |
5 |
1 |
0 |
0.000 |
5 |
6 |
|
[LYA]B:203 |
31 |
1 |
657 |
◊ |
B |
x,y,z |
1_555 |
59 |
24 |
8803 |
435.6 |
-1.0 |
0.519 |
8 |
0 |
0 |
0.077 |
7 |
|
[LYA]A:203 |
31 |
1 |
653 |
◊ |
A |
x,y,z |
1_555 |
58 |
24 |
8695 |
421.5 |
-0.6 |
0.552 |
8 |
0 |
0 |
0.077 |
Average: |
428.6 |
-0.8 |
0.535 |
8 |
0 |
0 |
0.077 |
6 |
8 |
|
B |
44 |
12 |
8803 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
52 |
15 |
8803 |
370.5 |
-3.6 |
0.290 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
39 |
12 |
8695 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
32 |
9 |
8695 |
317.2 |
-1.0 |
0.565 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
20 |
8 |
8695 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
5 |
8695 |
211.9 |
-1.8 |
0.161 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
27 |
7 |
8695 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
7 |
8803 |
210.1 |
-1.6 |
0.462 |
1 |
1 |
0 |
0.000 |
10 |
12 |
|
B |
9 |
2 |
8803 |
x |
B |
-x+3/2,-y,z-1/2 |
2_654 |
15 |
4 |
8803 |
129.3 |
-1.3 |
0.167 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[SO4]B:205 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8803 |
77.6 |
-10.6 |
0.738 |
2 |
0 |
0 |
0.190 |
12 |
14 |
|
[SO4]A:204 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8695 |
75.4 |
-8.7 |
0.902 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
6 |
4 |
8803 |
f |
[SO4]A:204 |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
1 |
184 |
74.9 |
-9.5 |
0.816 |
3 |
0 |
0 |
0.180 |
14 |
16 |
|
[SO4]A:205 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
8695 |
67.1 |
-7.9 |
0.948 |
4 |
0 |
0 |
0.093 |
15 |
17 |
|
[LYA]B:203 |
12 |
1 |
657 |
◊ |
[NDP]B:201 |
x,y,z |
1_555 |
10 |
1 |
929 |
65.4 |
0.6 |
0.539 |
0 |
0 |
0 |
0.000 |
18 |
|
[LYA]A:203 |
12 |
1 |
653 |
◊ |
[NDP]A:201 |
x,y,z |
1_555 |
9 |
1 |
928 |
65.0 |
0.6 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
65.2 |
0.6 |
0.535 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]B:204 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
8803 |
65.4 |
-7.7 |
0.932 |
4 |
0 |
0 |
0.157 |
17 |
20 |
|
[CO]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8803 |
55.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.132 |
21 |
|
[CO]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8695 |
47.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
51.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.132 |
18 |
22 |
|
[CO]A:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
8803 |
41.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.095 |
23 |
|
[CO]B:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8695 |
36.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
39.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.095 |
19 |
24 |
|
[SO4]B:205 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8695 |
34.2 |
-3.4 |
0.968 |
2 |
0 |
0 |
0.041 |
20 |
25 |
|
B |
2 |
1 |
8803 |
◊ |
[CO]A:202 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[CO]B:202 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
8695 |
10.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[LYA]B:203 |
1 |
1 |
657 |
◊ |
[SO4]A:204 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
184 |
11.0 |
-1.9 |
0.352 |
0 |
0 |
0 |
0.032 |
22 |
28 |
|
[SO4]A:205 |
3 |
1 |
185 |
f |
[NDP]A:201 |
x,y,z |
1_555 |
2 |
1 |
928 |
9.3 |
-1.2 |
0.581 |
0 |
0 |
0 |
0.012 |
23 |
29 |
|
[SO4]B:204 |
1 |
1 |
185 |
f |
[NDP]B:201 |
x,y,z |
1_555 |
2 |
1 |
929 |
5.3 |
-0.7 |
0.602 |
0 |
0 |
0 |
0.011 |
|