## |
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 |
78 |
24 |
9427 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
9381 |
571.8 |
-0.5 |
0.576 |
13 |
0 |
0 |
0.030 |
2 |
2 |
|
B |
47 |
18 |
9427 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
42 |
14 |
9427 |
418.4 |
-1.3 |
0.466 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
25 |
10 |
9427 |
x |
B |
x-1,y,z |
1_455 |
19 |
5 |
9427 |
228.6 |
2.0 |
0.777 |
3 |
1 |
0 |
0.000 |
4 |
|
A |
17 |
5 |
9381 |
x |
A |
x-1,y,z |
1_455 |
23 |
8 |
9381 |
210.4 |
1.0 |
0.641 |
2 |
1 |
0 |
0.000 |
Average: |
219.5 |
1.5 |
0.709 |
3 |
1 |
0 |
0.000 |
4 |
5 |
|
B |
16 |
6 |
9427 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
31 |
12 |
9381 |
219.6 |
2.5 |
0.853 |
4 |
2 |
0 |
0.000 |
5 |
6 |
|
A |
21 |
6 |
9381 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
25 |
11 |
9381 |
213.0 |
-1.6 |
0.329 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
19 |
9 |
9381 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
8 |
9381 |
201.2 |
-1.3 |
0.378 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
20 |
8 |
9381 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
8 |
9427 |
194.1 |
1.5 |
0.767 |
1 |
1 |
0 |
0.000 |
8 |
9 |
|
[BEN]A:247 |
9 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
34 |
17 |
9381 |
175.6 |
4.7 |
0.394 |
4 |
0 |
0 |
0.000 |
10 |
|
[BEN]B:247 |
9 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
36 |
17 |
9427 |
175.2 |
4.6 |
0.400 |
4 |
0 |
0 |
0.000 |
Average: |
175.4 |
4.6 |
0.397 |
4 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
21 |
7 |
9427 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
18 |
7 |
9427 |
161.7 |
1.9 |
0.638 |
2 |
4 |
0 |
0.000 |
10 |
12 |
|
B |
18 |
8 |
9427 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
8 |
9381 |
153.5 |
-2.0 |
0.236 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[BEN]A:8 |
9 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
9381 |
135.3 |
4.9 |
0.412 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[BEN]A:7 |
9 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
9427 |
123.9 |
2.7 |
0.138 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]A:246 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
9381 |
97.4 |
-14.7 |
0.698 |
4 |
0 |
0 |
0.078 |
14 |
16 |
|
[SO4]B:246 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
9427 |
93.6 |
-13.9 |
0.739 |
4 |
0 |
0 |
0.075 |
15 |
17 |
|
[SO4]A:11 |
5 |
1 |
192 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
9381 |
91.4 |
-13.6 |
0.768 |
3 |
0 |
0 |
0.071 |
16 |
18 |
|
[SO4]A:3 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
9381 |
88.3 |
-11.9 |
0.762 |
2 |
0 |
0 |
0.061 |
17 |
19 |
|
[SO4]A:9 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9381 |
82.8 |
-10.4 |
0.900 |
3 |
0 |
0 |
0.056 |
18 |
20 |
|
[SO4]A:6 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9381 |
79.6 |
-9.3 |
0.758 |
4 |
0 |
0 |
0.052 |
19 |
21 |
|
[SO4]A:1 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9381 |
79.2 |
-12.3 |
0.602 |
5 |
0 |
0 |
0.069 |
20 |
22 |
|
[SO4]A:6 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
9427 |
77.8 |
-9.0 |
0.762 |
4 |
0 |
0 |
0.051 |
21 |
23 |
|
[SO4]B:5 |
5 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9427 |
74.4 |
-10.1 |
0.621 |
0 |
0 |
0 |
0.048 |
22 |
24 |
|
[BEN]A:7 |
5 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
9381 |
74.0 |
2.6 |
0.439 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
15 |
5 |
9427 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
5 |
9381 |
72.1 |
0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[SO4]B:4 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9427 |
68.7 |
-10.3 |
0.585 |
1 |
0 |
0 |
0.051 |
25 |
27 |
|
[NA]A:248 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9381 |
68.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.115 |
28 |
|
[NA]B:248 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
9427 |
67.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
68.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.115 |
26 |
29 |
|
[SO4]B:5 |
4 |
1 |
192 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
6 |
9427 |
68.2 |
-9.3 |
0.670 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[BEN]A:8 |
6 |
1 |
277 |
f |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
8 |
3 |
9381 |
67.2 |
0.7 |
0.073 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[SO4]B:4 |
5 |
1 |
191 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
4 |
9381 |
62.0 |
-6.9 |
0.920 |
2 |
0 |
0 |
0.000 |
29 |
32 |
|
[SO4]B:10 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9381 |
60.9 |
-7.9 |
0.730 |
1 |
0 |
0 |
0.040 |
30 |
33 |
|
[SO4]B:2 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9427 |
60.3 |
-7.8 |
0.732 |
1 |
0 |
0 |
0.039 |
31 |
34 |
|
[SO4]B:10 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9427 |
54.6 |
-5.1 |
0.971 |
0 |
0 |
0 |
0.024 |
32 |
35 |
|
[SO4]B:2 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9381 |
52.4 |
-5.4 |
0.965 |
3 |
0 |
0 |
0.032 |
33 |
36 |
|
A |
5 |
3 |
9381 |
◊ |
[SO4]A:1 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
187 |
51.1 |
-5.4 |
0.918 |
2 |
0 |
0 |
0.000 |
34 |
37 |
|
[CA]A:249 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9381 |
43.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.113 |
38 |
|
[CA]B:249 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9427 |
43.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
43.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.113 |
35 |
39 |
|
A |
4 |
1 |
9381 |
◊ |
[SO4]A:3 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
191 |
43.1 |
-4.6 |
0.955 |
2 |
0 |
0 |
0.000 |
36 |
40 |
|
[BEN]A:7 |
2 |
1 |
280 |
f |
[SO4]B:246 |
x,y,z |
1_555 |
3 |
1 |
189 |
32.6 |
-3.6 |
0.313 |
1 |
0 |
0 |
0.019 |
37 |
41 |
|
[BEN]B:247 |
3 |
1 |
278 |
f |
[SO4]B:246 |
x,y,z |
1_555 |
3 |
1 |
189 |
31.0 |
-2.4 |
0.438 |
0 |
0 |
0 |
0.011 |
38 |
42 |
|
[BEN]A:247 |
3 |
1 |
276 |
f |
[SO4]A:246 |
x,y,z |
1_555 |
3 |
1 |
189 |
28.1 |
-2.3 |
0.394 |
0 |
0 |
0 |
0.011 |
39 |
43 |
|
[SO4]A:9 |
2 |
1 |
191 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
9381 |
19.3 |
-2.3 |
0.807 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[BEN]A:7 |
2 |
1 |
280 |
◊ |
[SO4]A:6 |
x,y,z |
1_555 |
2 |
1 |
190 |
17.5 |
-1.2 |
0.475 |
0 |
0 |
0 |
0.006 |
41 |
45 |
|
[SO4]B:2 |
1 |
1 |
188 |
◊ |
[SO4]A:3 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
191 |
5.3 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[CA]B:249 |
1 |
1 |
85 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9427 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
1 |
1 |
9381 |
◊ |
[CA]A:249 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|