## |
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 |
152 |
38 |
7470 |
◊ |
A |
x,y,z |
1_555 |
146 |
39 |
7814 |
1373.7 |
-15.7 |
0.181 |
16 |
4 |
0 |
0.192 |
2 |
2 |
|
A |
42 |
11 |
7814 |
x |
A |
-y,x-y+1,z-1/3 |
2_564 |
43 |
12 |
7814 |
411.5 |
-2.5 |
0.557 |
7 |
0 |
0 |
0.000 |
3 |
|
B |
36 |
11 |
7470 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
34 |
10 |
7470 |
330.8 |
-2.5 |
0.464 |
2 |
0 |
0 |
0.000 |
Average: |
371.2 |
-2.5 |
0.511 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
25 |
8 |
7470 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
22 |
5 |
7814 |
201.3 |
-0.1 |
0.622 |
4 |
2 |
0 |
0.000 |
5 |
|
B |
21 |
5 |
7470 |
◊ |
A |
-y,x-y+1,z-1/3 |
2_564 |
25 |
8 |
7814 |
198.5 |
-0.5 |
0.615 |
5 |
2 |
0 |
0.000 |
Average: |
199.9 |
-0.3 |
0.619 |
5 |
2 |
0 |
0.000 |
4 |
6 |
|
[BCU]A:1006 |
11 |
1 |
319 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
7814 |
168.8 |
3.0 |
0.220 |
0 |
0 |
0 |
0.000 |
7 |
|
[BCU]B:306 |
11 |
1 |
320 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
7470 |
168.7 |
3.0 |
0.224 |
0 |
0 |
0 |
0.000 |
Average: |
168.8 |
3.0 |
0.222 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[SO4]A:1004 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7814 |
99.4 |
-13.1 |
0.897 |
3 |
0 |
0 |
0.119 |
6 |
9 |
|
[SO4]B:304 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7470 |
99.2 |
-13.1 |
0.923 |
3 |
0 |
0 |
0.118 |
7 |
10 |
|
[BCU]B:306 |
10 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7814 |
85.5 |
2.3 |
0.133 |
0 |
0 |
0 |
0.000 |
11 |
|
[BCU]A:1006 |
10 |
1 |
319 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7470 |
83.3 |
2.2 |
0.106 |
0 |
0 |
0 |
0.000 |
Average: |
84.4 |
2.3 |
0.119 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[SO4]A:1005 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7814 |
78.3 |
-11.2 |
0.862 |
3 |
0 |
0 |
0.103 |
9 |
13 |
|
[SO4]B:305 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7470 |
76.2 |
-10.5 |
0.887 |
4 |
0 |
0 |
0.101 |
10 |
14 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7814 |
57.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.155 |
15 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
7470 |
57.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.155 |
Average: |
57.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.155 |
11 |
16 |
|
[SO4]B:305 |
4 |
1 |
186 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
5 |
2 |
7814 |
54.3 |
-4.8 |
0.966 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
4 |
2 |
7470 |
◊ |
[SO4]A:1005 |
-y,x-y+1,z-1/3 |
2_564 |
4 |
1 |
186 |
50.3 |
-4.4 |
0.976 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7470 |
41.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.161 |
19 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7814 |
41.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.161 |
20 |
|
[CD]A:1001 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7814 |
38.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.161 |
21 |
|
[CD]B:301 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7470 |
38.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
40.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.161 |
14 |
22 |
|
B |
3 |
1 |
7470 |
◊ |
[CD]A:1001 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
112 |
30.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[CD]B:301 |
1 |
1 |
112 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
7814 |
30.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[SO4]B:305 |
3 |
1 |
186 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
7814 |
24.8 |
-3.4 |
0.518 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1002 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.035 |
17 |
26 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:302 |
x,y,z |
1_555 |
1 |
1 |
112 |
23.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.035 |
18 |
27 |
|
[CD]B:302 |
1 |
1 |
112 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
6 |
2 |
7814 |
17.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
6 |
2 |
7470 |
◊ |
[CD]A:1002 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
112 |
17.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[CD]A:1002 |
1 |
1 |
112 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.018 |
20 |
30 |
|
[CD]B:302 |
1 |
1 |
112 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
21 |
31 |
|
B |
3 |
3 |
7470 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
7814 |
8.1 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
1 |
1 |
7814 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
7470 |
0.3 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
6.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
23 |
34 |
|
[CL]A:1003 |
1 |
1 |
125 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
24 |
35 |
|
[SO4]B:305 |
1 |
1 |
186 |
f |
[CD]B:301 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
25 |
36 |
|
[SO4]A:1005 |
1 |
1 |
186 |
f |
[CD]A:1001 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
|