## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
47 |
13 |
4224 |
◊ |
B |
x-1,y,z |
1_455 |
47 |
12 |
4311 |
458.3 |
-1.0 |
0.653 |
4 |
1 |
0 |
0.000 |
2 |
|
A |
43 |
12 |
4228 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
47 |
15 |
4260 |
414.4 |
-2.3 |
0.535 |
0 |
0 |
0 |
0.000 |
3 |
|
C |
46 |
14 |
4224 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
46 |
14 |
4260 |
396.2 |
-4.6 |
0.347 |
2 |
0 |
0 |
0.000 |
4 |
|
B |
40 |
9 |
4311 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
36 |
11 |
4228 |
349.2 |
-0.4 |
0.628 |
5 |
5 |
0 |
0.000 |
5 |
|
B |
41 |
13 |
4311 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
4228 |
294.2 |
-4.8 |
0.214 |
2 |
0 |
0 |
0.000 |
6 |
|
D |
33 |
10 |
4260 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
4224 |
263.9 |
-0.2 |
0.703 |
2 |
2 |
0 |
0.000 |
7 |
|
C |
25 |
8 |
4224 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
4311 |
213.9 |
-0.7 |
0.616 |
3 |
3 |
0 |
0.000 |
8 |
|
A |
21 |
7 |
4228 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
21 |
9 |
4260 |
203.6 |
-0.2 |
0.652 |
4 |
3 |
0 |
0.000 |
9 |
|
C |
24 |
10 |
4224 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
16 |
4 |
4260 |
188.0 |
-2.8 |
0.257 |
1 |
0 |
0 |
0.000 |
10 |
|
[BEN]C:402 |
9 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
37 |
12 |
4224 |
179.4 |
4.6 |
0.444 |
2 |
0 |
0 |
0.000 |
11 |
|
[BEN]B:402 |
9 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
4311 |
177.6 |
5.2 |
0.494 |
3 |
0 |
0 |
0.000 |
12 |
|
[BEN]A:401 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
4228 |
177.2 |
4.9 |
0.429 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
22 |
5 |
4228 |
◊ |
C |
x,y,z-1 |
1_554 |
23 |
6 |
4224 |
176.6 |
-0.6 |
0.611 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
22 |
5 |
4311 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
5 |
4260 |
161.1 |
-0.3 |
0.561 |
1 |
0 |
0 |
0.000 |
15 |
|
[BEN]A:402 |
9 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
4228 |
124.8 |
3.3 |
0.228 |
2 |
0 |
0 |
0.000 |
16 |
|
[BEN]A:402 |
9 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
4311 |
120.0 |
2.9 |
0.175 |
2 |
0 |
0 |
0.000 |
17 |
|
[BEN]C:401 |
9 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
4224 |
112.5 |
2.7 |
0.147 |
1 |
0 |
0 |
0.000 |
18 |
|
A |
12 |
6 |
4228 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
5 |
4311 |
98.3 |
0.4 |
0.698 |
0 |
0 |
0 |
0.000 |
19 |
|
[BEN]B:401 |
9 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
4311 |
92.9 |
2.4 |
0.106 |
1 |
0 |
0 |
0.000 |
20 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
4311 |
91.0 |
-14.9 |
0.680 |
4 |
0 |
0 |
0.115 |
21 |
|
C |
9 |
3 |
4224 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
4228 |
87.8 |
-0.6 |
0.542 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
9 |
2 |
4311 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
4260 |
79.3 |
1.1 |
0.794 |
1 |
0 |
0 |
0.000 |
23 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
4228 |
78.5 |
-11.9 |
0.652 |
3 |
0 |
0 |
0.077 |
24 |
|
[BEN]B:401 |
8 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
4228 |
60.6 |
-0.3 |
0.008 |
0 |
0 |
0 |
0.002 |
25 |
|
C |
6 |
2 |
4224 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
2 |
4228 |
46.2 |
1.4 |
0.759 |
0 |
2 |
0 |
0.000 |
26 |
|
[SO4]A:403 |
3 |
1 |
185 |
f |
[BEN]B:401 |
x,y,z |
1_555 |
3 |
1 |
277 |
37.8 |
-3.8 |
0.199 |
2 |
0 |
0 |
0.027 |
27 |
|
C |
6 |
3 |
4224 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
3 |
4260 |
36.4 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
28 |
|
[SO4]B:403 |
4 |
1 |
186 |
f |
[BEN]B:402 |
x,y,z |
1_555 |
2 |
1 |
277 |
29.2 |
-3.4 |
0.272 |
1 |
0 |
0 |
0.026 |
29 |
|
A |
3 |
1 |
4228 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
4311 |
28.4 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
30 |
|
[SO4]A:403 |
4 |
1 |
185 |
f |
[BEN]A:401 |
x,y,z |
1_555 |
2 |
1 |
278 |
27.0 |
-2.6 |
0.333 |
1 |
0 |
0 |
0.017 |
31 |
|
[BEN]C:402 |
3 |
1 |
280 |
f |
D |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
4260 |
25.7 |
-0.0 |
0.119 |
0 |
0 |
0 |
0.100 |
32 |
|
[SO4]B:403 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
4228 |
25.2 |
-3.7 |
0.651 |
0 |
0 |
0 |
0.000 |
33 |
|
[SO4]A:403 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4311 |
19.2 |
-2.8 |
0.615 |
0 |
0 |
0 |
0.000 |
34 |
|
[BEN]B:401 |
2 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4224 |
18.3 |
0.3 |
0.199 |
0 |
0 |
0 |
0.000 |
35 |
|
[BEN]C:401 |
2 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4228 |
10.8 |
0.2 |
0.274 |
0 |
0 |
0 |
0.000 |
36 |
|
[BEN]C:401 |
1 |
1 |
279 |
f |
B |
x-1,y,z |
1_455 |
1 |
1 |
4311 |
7.7 |
0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
37 |
|
D |
3 |
2 |
4260 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4311 |
7.0 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
1 |
1 |
4311 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
4311 |
3.3 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
1 |
1 |
4228 |
x |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
4228 |
0.9 |
0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
|