| ## |
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 |
|
A |
63 |
19 |
8957 |
◊ |
E |
-x,-y+5/2,z-1/2 |
4_574 |
73 |
19 |
9056 |
607.9 |
0.3 |
0.671 |
14 |
15 |
0 |
0.000 |
| 2 |
2 |
|
E |
64 |
16 |
9056 |
◊ |
C |
x,y,z |
1_555 |
60 |
19 |
9097 |
556.9 |
-1.1 |
0.582 |
10 |
10 |
0 |
0.000 |
| 3 |
3 |
|
C |
43 |
15 |
9097 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
8957 |
391.8 |
0.1 |
0.633 |
5 |
5 |
0 |
0.000 |
| 4 |
4 |
|
F |
29 |
6 |
760 |
◊ |
E |
x,y,z |
1_555 |
40 |
12 |
9056 |
305.2 |
0.5 |
0.676 |
9 |
0 |
0 |
0.000 |
5 |
|
B |
26 |
5 |
959 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
8957 |
299.9 |
1.0 |
0.602 |
9 |
0 |
0 |
0.000 |
6 |
|
D |
26 |
5 |
971 |
◊ |
C |
x,y,z |
1_555 |
39 |
12 |
9097 |
285.0 |
1.4 |
0.656 |
9 |
0 |
0 |
0.000 |
| Average: |
296.7 |
1.0 |
0.645 |
9 |
0 |
0 |
0.000 |
| 5 |
7 |
|
E |
23 |
10 |
9056 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
10 |
8957 |
239.1 |
-0.9 |
0.531 |
1 |
1 |
0 |
0.000 |
| 6 |
8 |
|
D |
24 |
6 |
971 |
◊ |
D |
x,-y+2,-z+2 |
2_577 |
24 |
6 |
971 |
233.0 |
-0.7 |
0.429 |
2 |
0 |
0 |
0.013 |
| 7 |
9 |
|
C |
22 |
8 |
9097 |
◊ |
E |
-x-1,y-1/2,-z+5/2 |
3_447 |
24 |
8 |
9056 |
226.0 |
-2.8 |
0.265 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
21 |
6 |
9097 |
◊ |
A |
x,-y+2,-z+2 |
2_577 |
18 |
4 |
8957 |
182.7 |
0.9 |
0.729 |
4 |
7 |
0 |
0.000 |
| 9 |
11 |
|
C |
23 |
10 |
9097 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
8957 |
179.5 |
-0.5 |
0.392 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
13 |
4 |
9097 |
◊ |
A |
x-1,-y+2,-z+2 |
2_477 |
17 |
8 |
8957 |
148.8 |
-2.9 |
0.160 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
E |
12 |
6 |
9056 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8957 |
116.0 |
-2.7 |
0.161 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
C |
13 |
8 |
9097 |
◊ |
A |
-x,y-1/2,-z+5/2 |
3_547 |
7 |
4 |
8957 |
112.1 |
1.0 |
0.750 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
B |
9 |
4 |
959 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
8 |
8957 |
108.3 |
1.9 |
0.759 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[CY3]B:101 |
6 |
1 |
263 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
959 |
100.5 |
-3.4 |
0.375 |
0 |
0 |
0 |
0.100 |
| 15 |
17 |
|
[ACT]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9097 |
96.4 |
0.2 |
0.720 |
2 |
0 |
0 |
0.021 |
| 16 |
18 |
|
C |
9 |
3 |
9097 |
◊ |
F |
-x,y-1/2,-z+5/2 |
3_547 |
13 |
3 |
760 |
92.8 |
-1.1 |
0.417 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[ACT]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
8957 |
92.4 |
-0.5 |
0.568 |
3 |
0 |
0 |
0.012 |
| 18 |
20 |
|
[CY3]D:101 |
6 |
1 |
262 |
cf |
D |
x,y,z |
1_555 |
12 |
5 |
971 |
92.0 |
-3.2 |
0.381 |
2 |
0 |
0 |
0.100 |
| 19 |
21 |
|
[SO4]A:302 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8957 |
84.2 |
-11.8 |
0.763 |
5 |
0 |
0 |
0.088 |
| 20 |
22 |
|
[CY3]B:101 |
6 |
1 |
263 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
8957 |
83.0 |
-0.7 |
0.511 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[SO4]C:302 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
9097 |
77.0 |
-10.4 |
0.884 |
3 |
0 |
0 |
0.348 |
| 22 |
24 |
|
[ACT]E:301 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
9056 |
75.6 |
0.1 |
0.689 |
2 |
0 |
0 |
0.100 |
| 23 |
25 |
|
[SO4]C:303 |
5 |
1 |
187 |
f |
[SO4]C:303 |
x,-y+2,-z+2 |
2_577 |
5 |
1 |
187 |
71.9 |
-15.2 |
0.993 |
0 |
0 |
0 |
0.225 |
| 24 |
26 |
|
C |
6 |
2 |
9097 |
x |
C |
x-1,y,z |
1_455 |
4 |
3 |
9097 |
67.6 |
0.4 |
0.722 |
2 |
3 |
0 |
0.000 |
| 25 |
27 |
|
[CY3]F:101 |
6 |
1 |
262 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
9056 |
66.2 |
-0.0 |
0.610 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[CY3]F:101 |
5 |
1 |
262 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
760 |
62.0 |
-0.6 |
0.483 |
0 |
0 |
0 |
0.100 |
| 27 |
29 |
|
[CY3]F:101 |
4 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
8957 |
59.4 |
-2.3 |
0.420 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
D |
8 |
2 |
971 |
◊ |
C |
x,-y+2,-z+2 |
2_577 |
7 |
3 |
9097 |
50.8 |
-0.4 |
0.277 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[ACT]A:301 |
2 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9097 |
49.9 |
0.5 |
0.664 |
1 |
0 |
0 |
0.000 |
| 30 |
32 |
|
D |
4 |
1 |
971 |
◊ |
A |
x-1,-y+2,-z+2 |
2_477 |
8 |
3 |
8957 |
47.9 |
-0.3 |
0.396 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[SO4]C:303 |
5 |
1 |
187 |
◊ |
C |
x,-y+2,-z+2 |
2_577 |
6 |
2 |
9097 |
47.5 |
-6.6 |
0.753 |
1 |
0 |
0 |
0.210 |
| 32 |
34 |
|
[SO4]C:303 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
9097 |
46.9 |
-6.0 |
0.749 |
1 |
0 |
0 |
0.192 |
| 33 |
35 |
|
[CY3]D:101 |
6 |
1 |
262 |
◊ |
D |
x,-y+2,-z+2 |
2_577 |
8 |
3 |
971 |
46.3 |
-1.1 |
0.585 |
0 |
0 |
0 |
0.018 |
| 34 |
36 |
|
C |
6 |
1 |
9097 |
◊ |
C |
x,-y+2,-z+2 |
2_577 |
6 |
1 |
9097 |
41.1 |
-0.3 |
0.518 |
0 |
0 |
0 |
0.004 |
| 35 |
37 |
|
[CY3]D:101 |
3 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9097 |
36.7 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[CY3]D:101 |
4 |
1 |
262 |
◊ |
C |
x,-y+2,-z+2 |
2_577 |
5 |
2 |
9097 |
34.0 |
-0.7 |
0.399 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
C |
4 |
3 |
9097 |
◊ |
[SO4]A:302 |
-x,y-1/2,-z+5/2 |
3_547 |
4 |
1 |
189 |
31.3 |
-2.9 |
0.940 |
1 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[CY3]B:101 |
2 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8957 |
23.3 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[CY3]D:101 |
3 |
1 |
262 |
◊ |
A |
x-1,-y+2,-z+2 |
2_477 |
1 |
1 |
8957 |
19.2 |
0.2 |
0.827 |
1 |
0 |
0 |
0.000 |
| 40 |
42 |
|
E |
2 |
2 |
9056 |
◊ |
E |
x,-y+2,-z+3 |
2_578 |
2 |
2 |
9056 |
11.1 |
-0.3 |
0.377 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
C |
3 |
2 |
9097 |
◊ |
E |
-x,y-1/2,-z+5/2 |
3_547 |
2 |
1 |
9056 |
10.7 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
C |
1 |
1 |
9097 |
◊ |
[SO4]C:302 |
x-1,y,z |
1_455 |
1 |
1 |
188 |
5.4 |
-0.7 |
0.507 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
F |
1 |
1 |
760 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8957 |
5.1 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
A |
2 |
2 |
8957 |
x |
A |
x-1,y,z |
1_455 |
2 |
2 |
8957 |
4.3 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
E |
1 |
1 |
9056 |
x |
E |
x-1,y,z |
1_455 |
1 |
1 |
9056 |
3.8 |
0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[CY3]D:101 |
1 |
1 |
262 |
◊ |
[CY3]D:101 |
x,-y+2,-z+2 |
2_577 |
1 |
1 |
262 |
3.1 |
-0.3 |
0.714 |
0 |
0 |
0 |
0.002 |
|