## |
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 |
|
[FDE]A:201 |
39 |
1 |
741 |
f |
A |
x,y,z |
1_555 |
57 |
17 |
7498 |
460.6 |
-16.6 |
0.141 |
1 |
0 |
0 |
0.072 |
2 |
|
[FDE]B:201 |
38 |
1 |
743 |
f |
B |
x,y,z |
1_555 |
52 |
18 |
7413 |
456.8 |
-16.0 |
0.132 |
1 |
0 |
0 |
0.072 |
Average: |
458.7 |
-16.3 |
0.136 |
1 |
0 |
0 |
0.072 |
2 |
3 |
|
B |
51 |
14 |
7413 |
◊ |
A |
x,y,z |
1_555 |
53 |
14 |
7498 |
458.1 |
2.2 |
0.824 |
1 |
2 |
0 |
0.000 |
3 |
4 |
|
A |
27 |
8 |
7498 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
13 |
7413 |
283.5 |
-2.5 |
0.377 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
37 |
13 |
7498 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
27 |
8 |
7413 |
276.8 |
-2.6 |
0.369 |
2 |
0 |
0 |
0.000 |
Average: |
280.1 |
-2.6 |
0.373 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
25 |
8 |
7413 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
24 |
7 |
7498 |
228.1 |
-2.2 |
0.352 |
5 |
3 |
0 |
0.000 |
5 |
7 |
|
B |
17 |
7 |
7413 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
9 |
7498 |
199.1 |
-0.4 |
0.564 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
22 |
8 |
7413 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
6 |
7498 |
192.0 |
-0.9 |
0.478 |
2 |
0 |
0 |
0.000 |
Average: |
195.6 |
-0.7 |
0.521 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
17 |
5 |
7413 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
5 |
7413 |
198.0 |
-1.9 |
0.342 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
22 |
5 |
7498 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
5 |
7498 |
191.4 |
-2.1 |
0.286 |
1 |
0 |
0 |
0.000 |
Average: |
194.7 |
-2.0 |
0.314 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[BML]A:202 |
8 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
7498 |
163.8 |
3.3 |
0.387 |
4 |
0 |
0 |
0.000 |
8 |
12 |
|
[BML]B:204 |
8 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
7413 |
159.6 |
3.2 |
0.352 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
7413 |
108.7 |
3.4 |
0.481 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]A:203 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
7498 |
108.0 |
3.6 |
0.500 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
13 |
4 |
7413 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
10 |
3 |
7413 |
107.5 |
1.6 |
0.829 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
9 |
4 |
7498 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
4 |
7498 |
81.0 |
0.6 |
0.693 |
0 |
0 |
0 |
0.000 |
Average: |
94.3 |
1.1 |
0.761 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
7413 |
94.9 |
2.1 |
0.249 |
4 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]A:204 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
7498 |
93.6 |
2.0 |
0.386 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]B:206 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
7413 |
92.4 |
2.0 |
0.371 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:203 |
4 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
6 |
7498 |
84.1 |
1.5 |
0.198 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[SO4]A:205 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
7498 |
82.4 |
-12.3 |
0.688 |
2 |
0 |
0 |
0.050 |
17 |
22 |
|
[SO4]B:207 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7413 |
77.3 |
-11.5 |
0.675 |
1 |
0 |
0 |
0.052 |
18 |
23 |
|
[EDO]B:203 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
7413 |
69.9 |
1.8 |
0.714 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
A |
12 |
7 |
7498 |
◊ |
[SO4]B:207 |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
184 |
67.7 |
-10.3 |
0.688 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
[SO4]A:205 |
4 |
1 |
184 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
6 |
7413 |
65.3 |
-9.5 |
0.669 |
3 |
0 |
0 |
0.000 |
21 |
26 |
|
[BML]A:202 |
7 |
1 |
271 |
f |
[FDE]A:201 |
x,y,z |
1_555 |
4 |
1 |
741 |
60.5 |
0.1 |
0.033 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[BML]B:204 |
7 |
1 |
271 |
f |
[FDE]B:201 |
x,y,z |
1_555 |
4 |
1 |
743 |
60.0 |
0.1 |
0.018 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
B |
6 |
2 |
7413 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
7498 |
55.2 |
1.4 |
0.852 |
1 |
2 |
0 |
0.000 |
24 |
29 |
|
[EDO]B:206 |
3 |
1 |
183 |
f |
[FDE]B:201 |
x,y,z |
1_555 |
16 |
1 |
743 |
55.1 |
0.4 |
0.353 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]A:204 |
2 |
1 |
184 |
f |
[FDE]A:201 |
x,y,z |
1_555 |
13 |
1 |
741 |
54.0 |
0.3 |
0.706 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]B:205 |
3 |
1 |
184 |
f |
[FDE]B:201 |
x,y,z |
1_555 |
8 |
1 |
743 |
48.3 |
0.9 |
0.351 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
A |
5 |
2 |
7498 |
f |
[EDO]B:202 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
185 |
30.8 |
1.0 |
0.758 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]A:203 |
2 |
1 |
184 |
f |
B |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
7413 |
30.4 |
0.9 |
0.753 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]B:205 |
1 |
1 |
184 |
f |
[BML]B:204 |
x,y,z |
1_555 |
3 |
1 |
271 |
7.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[FDE]B:201 |
1 |
1 |
743 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
7498 |
2.8 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
B |
1 |
1 |
7413 |
f |
[EDO]B:203 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
184 |
0.9 |
-0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[FDE]B:201 |
1 |
1 |
743 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7498 |
0.3 |
-0.0 |
0.773 |
0 |
0 |
0 |
0.000 |
38 |
|
[FDE]A:201 |
1 |
1 |
741 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7413 |
0.1 |
-0.0 |
0.760 |
0 |
0 |
0 |
0.000 |
Average: |
0.2 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
|