| ## |
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 |
|
D |
145 |
42 |
13094 |
◊ |
C |
x,y,z |
1_555 |
150 |
44 |
13126 |
1482.1 |
-20.4 |
0.053 |
12 |
0 |
0 |
0.400 |
2 |
|
B |
153 |
43 |
12792 |
◊ |
A |
x,y,z |
1_555 |
151 |
45 |
13107 |
1477.0 |
-21.5 |
0.059 |
12 |
0 |
0 |
0.400 |
| Average: |
1479.6 |
-20.9 |
0.056 |
12 |
0 |
0 |
0.400 |
| 2 |
3 |
|
C |
44 |
14 |
13126 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
13107 |
432.6 |
-1.5 |
0.579 |
4 |
1 |
0 |
0.000 |
4 |
|
D |
50 |
13 |
13094 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
12792 |
425.5 |
-2.4 |
0.583 |
1 |
2 |
0 |
0.000 |
| Average: |
429.1 |
-1.9 |
0.581 |
3 |
2 |
0 |
0.000 |
| 3 |
5 |
|
C |
40 |
13 |
13126 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
12792 |
367.5 |
1.9 |
0.888 |
8 |
2 |
0 |
0.000 |
| 4 |
6 |
|
A |
39 |
13 |
13107 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
26 |
8 |
13094 |
276.6 |
-1.3 |
0.554 |
3 |
2 |
0 |
0.000 |
7 |
|
A |
30 |
9 |
13107 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
40 |
13 |
13094 |
269.1 |
-1.0 |
0.589 |
3 |
2 |
0 |
0.000 |
| Average: |
272.8 |
-1.1 |
0.572 |
3 |
2 |
0 |
0.000 |
| 5 |
8 |
|
D |
32 |
12 |
13094 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
7 |
13126 |
265.6 |
-3.5 |
0.315 |
3 |
0 |
0 |
0.000 |
| 6 |
9 |
|
C |
24 |
9 |
13126 |
◊ |
D |
x,y,z-1 |
1_554 |
30 |
9 |
13094 |
246.2 |
1.7 |
0.853 |
3 |
0 |
0 |
0.000 |
10 |
|
A |
26 |
9 |
13107 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
8 |
12792 |
198.4 |
1.4 |
0.724 |
3 |
1 |
0 |
0.000 |
| Average: |
222.3 |
1.5 |
0.788 |
3 |
1 |
0 |
0.000 |
| 7 |
11 |
|
A |
22 |
13 |
13107 |
◊ |
B |
x-1,y,z-1 |
1_454 |
21 |
9 |
12792 |
184.4 |
-1.2 |
0.566 |
0 |
1 |
0 |
0.000 |
| 8 |
12 |
|
B |
16 |
5 |
12792 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
13094 |
142.4 |
-3.4 |
0.167 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[BEN]B:402 |
9 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
13126 |
126.5 |
2.8 |
0.205 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[BEN]B:402 |
9 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
12792 |
121.7 |
2.8 |
0.207 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[BEN]D:402 |
9 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
13094 |
120.8 |
3.0 |
0.263 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]C:401 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
21 |
13 |
13126 |
120.2 |
-20.0 |
0.693 |
8 |
0 |
0 |
0.319 |
| 13 |
17 |
|
[BEN]C:402 |
9 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
12792 |
120.2 |
2.5 |
0.130 |
1 |
0 |
0 |
0.000 |
18 |
|
[BEN]B:403 |
9 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
13126 |
118.3 |
2.5 |
0.113 |
1 |
0 |
0 |
0.000 |
| Average: |
119.2 |
2.5 |
0.122 |
1 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
13 |
12792 |
118.7 |
-19.9 |
0.724 |
8 |
0 |
0 |
0.350 |
| 15 |
20 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
13107 |
117.2 |
-20.0 |
0.718 |
7 |
0 |
0 |
0.346 |
| 16 |
21 |
|
[SO4]D:401 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
13094 |
117.1 |
-19.8 |
0.727 |
7 |
0 |
0 |
0.310 |
| 17 |
22 |
|
A |
18 |
8 |
13107 |
f |
[BEN]D:402 |
-x,y-1/2,-z |
2_545 |
9 |
1 |
279 |
112.4 |
2.1 |
0.114 |
2 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[BEN]A:403 |
9 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
13107 |
111.1 |
2.9 |
0.283 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[BEN]A:403 |
9 |
1 |
279 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
18 |
8 |
13094 |
103.9 |
1.7 |
0.092 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[BEN]C:402 |
9 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
13126 |
95.4 |
1.1 |
0.044 |
0 |
0 |
0 |
0.000 |
26 |
|
[BEN]B:403 |
9 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
12792 |
95.3 |
1.1 |
0.047 |
0 |
0 |
0 |
0.000 |
| Average: |
95.3 |
1.1 |
0.045 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
D |
-x,y-1/2,-z+1 |
2_546 |
11 |
6 |
13094 |
47.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.092 |
| 22 |
28 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13107 |
33.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[BEN]A:403 |
1 |
1 |
279 |
◊ |
[CL]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[BEN]B:403 |
3 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
13094 |
19.9 |
0.7 |
0.211 |
0 |
0 |
0 |
0.000 |
31 |
|
[BEN]C:402 |
3 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13107 |
18.8 |
0.6 |
0.210 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
0.7 |
0.211 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
A |
3 |
2 |
13107 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
3 |
13126 |
10.7 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
B |
1 |
1 |
12792 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
13094 |
6.0 |
-0.0 |
0.462 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
2 |
1 |
13107 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13126 |
5.3 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
A |
1 |
1 |
13107 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13094 |
2.9 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
|