## |
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 |
97 |
26 |
6539 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
85 |
23 |
6828 |
876.8 |
-14.9 |
0.063 |
5 |
0 |
0 |
0.272 |
2 |
|
E |
75 |
22 |
6874 |
◊ |
A |
x,y,z |
1_555 |
91 |
25 |
6585 |
821.3 |
-14.8 |
0.043 |
5 |
0 |
0 |
0.272 |
Average: |
849.1 |
-14.9 |
0.053 |
5 |
0 |
0 |
0.272 |
2 |
3 |
|
C |
69 |
20 |
6690 |
◊ |
A |
x,y,z |
1_555 |
75 |
23 |
6585 |
726.2 |
-8.5 |
0.212 |
7 |
0 |
0 |
0.183 |
4 |
|
B |
74 |
22 |
6539 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
70 |
19 |
6679 |
694.6 |
-9.5 |
0.197 |
5 |
0 |
0 |
0.183 |
Average: |
710.4 |
-9.0 |
0.204 |
6 |
0 |
0 |
0.183 |
3 |
5 |
|
E |
84 |
19 |
6874 |
◊ |
C |
x,y,z |
1_555 |
72 |
22 |
6690 |
704.6 |
-13.4 |
0.053 |
1 |
0 |
0 |
0.220 |
6 |
|
F |
74 |
23 |
6679 |
◊ |
D |
x,y,z |
1_555 |
77 |
19 |
6828 |
674.6 |
-12.8 |
0.081 |
1 |
0 |
0 |
0.220 |
Average: |
689.6 |
-13.1 |
0.067 |
1 |
0 |
0 |
0.220 |
4 |
7 |
|
E |
42 |
15 |
6874 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
39 |
15 |
6585 |
401.1 |
-2.6 |
0.488 |
5 |
0 |
0 |
0.000 |
8 |
|
D |
44 |
15 |
6828 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
6539 |
396.2 |
-2.5 |
0.516 |
7 |
0 |
0 |
0.000 |
Average: |
398.6 |
-2.5 |
0.502 |
6 |
0 |
0 |
0.000 |
5 |
9 |
|
E |
36 |
10 |
6874 |
◊ |
D |
x,y,z |
1_555 |
33 |
9 |
6828 |
329.3 |
-0.5 |
0.650 |
4 |
1 |
0 |
0.000 |
6 |
10 |
|
F |
37 |
12 |
6679 |
◊ |
C |
x,y,z |
1_555 |
29 |
12 |
6690 |
312.2 |
-1.4 |
0.577 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
22 |
8 |
6585 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
16 |
5 |
6690 |
171.9 |
-1.4 |
0.462 |
1 |
0 |
0 |
0.031 |
12 |
|
B |
19 |
6 |
6539 |
◊ |
F |
x,y-1,z |
1_545 |
17 |
5 |
6679 |
136.9 |
-1.6 |
0.403 |
1 |
0 |
0 |
0.031 |
Average: |
154.4 |
-1.5 |
0.432 |
1 |
0 |
0 |
0.031 |
8 |
13 |
|
D |
20 |
7 |
6828 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
6690 |
162.9 |
0.4 |
0.667 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
E |
17 |
4 |
6874 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
4 |
6585 |
132.9 |
-1.3 |
0.454 |
1 |
0 |
0 |
0.000 |
15 |
|
D |
15 |
4 |
6828 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
4 |
6539 |
119.0 |
-1.9 |
0.361 |
0 |
0 |
0 |
0.000 |
Average: |
126.0 |
-1.6 |
0.408 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
6539 |
122.3 |
-21.1 |
0.633 |
3 |
0 |
0 |
0.355 |
17 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
6585 |
120.2 |
-21.3 |
0.627 |
2 |
0 |
0 |
0.355 |
Average: |
121.3 |
-21.2 |
0.630 |
3 |
0 |
0 |
0.355 |
11 |
18 |
|
A |
13 |
5 |
6585 |
x |
A |
-x,y-1/2,-z+2 |
2_547 |
15 |
5 |
6585 |
116.4 |
0.2 |
0.600 |
2 |
0 |
0 |
0.000 |
19 |
|
B |
14 |
5 |
6539 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
6539 |
109.8 |
0.2 |
0.577 |
1 |
0 |
0 |
0.000 |
Average: |
113.1 |
0.2 |
0.589 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
[SO4]E:201 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
6874 |
110.0 |
-17.4 |
0.582 |
1 |
0 |
0 |
0.287 |
13 |
21 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
6828 |
106.7 |
-16.4 |
0.588 |
2 |
0 |
0 |
0.287 |
14 |
22 |
|
[SO4]C:201 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
6690 |
105.8 |
-16.7 |
0.587 |
2 |
0 |
0 |
0.276 |
15 |
23 |
|
F |
7 |
3 |
6679 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
6874 |
90.1 |
0.6 |
0.644 |
2 |
0 |
0 |
0.000 |
16 |
24 |
|
E |
12 |
3 |
6874 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
10 |
4 |
6690 |
86.4 |
-2.2 |
0.163 |
1 |
0 |
0 |
0.020 |
25 |
|
D |
12 |
4 |
6828 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
6679 |
81.2 |
-1.7 |
0.194 |
1 |
0 |
0 |
0.020 |
Average: |
83.8 |
-1.9 |
0.178 |
1 |
0 |
0 |
0.020 |
17 |
26 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
6690 |
76.8 |
-10.4 |
0.847 |
4 |
0 |
0 |
0.191 |
18 |
27 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
F |
x,y-1,z |
1_545 |
11 |
4 |
6679 |
71.8 |
-9.2 |
0.849 |
2 |
0 |
0 |
0.168 |
19 |
28 |
|
[SO4]F:201 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
6679 |
70.1 |
-7.3 |
0.920 |
1 |
0 |
0 |
0.129 |
20 |
29 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
[SO4]F:201 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
58.4 |
-11.9 |
0.993 |
0 |
0 |
0 |
0.197 |
21 |
30 |
|
A |
3 |
2 |
6585 |
◊ |
[SO4]C:202 |
-x,y-1/2,-z+2 |
2_547 |
5 |
1 |
186 |
50.3 |
-6.0 |
0.909 |
1 |
0 |
0 |
0.006 |
22 |
31 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6539 |
46.2 |
-5.3 |
0.787 |
1 |
0 |
0 |
0.090 |
23 |
32 |
|
B |
4 |
2 |
6539 |
◊ |
[SO4]D:201 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
185 |
44.1 |
-6.4 |
0.233 |
0 |
0 |
0 |
0.101 |
24 |
33 |
|
B |
5 |
2 |
6539 |
◊ |
[SO4]F:201 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
40.3 |
-3.8 |
0.929 |
1 |
0 |
0 |
0.067 |
25 |
34 |
|
[SO4]C:201 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
6874 |
38.2 |
-5.3 |
0.450 |
0 |
0 |
0 |
0.079 |
26 |
35 |
|
[SO4]E:201 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6585 |
34.5 |
-5.3 |
0.252 |
0 |
0 |
0 |
0.086 |
27 |
36 |
|
D |
2 |
1 |
6828 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
1 |
6679 |
12.7 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
37 |
|
E |
3 |
1 |
6874 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
6690 |
10.6 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
Average: |
11.6 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[SO4]C:201 |
1 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6679 |
3.7 |
-0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
|