| ## |
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 |
101 |
28 |
10380 |
◊ |
C |
-y+1,x-y,z |
2_655 |
97 |
28 |
10455 |
869.2 |
1.4 |
0.787 |
18 |
0 |
0 |
0.043 |
2 |
|
A |
98 |
27 |
10432 |
◊ |
A |
x-y,-y,-z |
5_555 |
98 |
27 |
10432 |
855.6 |
1.5 |
0.787 |
18 |
0 |
0 |
0.043 |
3 |
|
D |
96 |
27 |
10379 |
◊ |
D |
y,x,-z |
4_555 |
96 |
27 |
10379 |
842.9 |
1.4 |
0.780 |
18 |
0 |
0 |
0.043 |
| Average: |
855.9 |
1.4 |
0.785 |
18 |
0 |
0 |
0.043 |
| 2 |
4 |
|
H |
59 |
13 |
3286 |
◊ |
G |
x,y,z |
1_555 |
58 |
13 |
3312 |
561.4 |
-6.9 |
0.610 |
30 |
0 |
0 |
1.000 |
5 |
|
F |
61 |
13 |
3310 |
◊ |
E |
x,y,z |
1_555 |
61 |
13 |
3309 |
560.7 |
-6.4 |
0.631 |
31 |
0 |
0 |
1.000 |
| Average: |
561.1 |
-6.6 |
0.621 |
31 |
0 |
0 |
1.000 |
| 3 |
6 |
|
C |
64 |
22 |
10455 |
◊ |
B |
x,y,z |
1_555 |
63 |
18 |
10380 |
502.2 |
-1.5 |
0.569 |
2 |
1 |
0 |
0.040 |
7 |
|
B |
63 |
21 |
10380 |
◊ |
A |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
61 |
18 |
10432 |
497.6 |
-2.4 |
0.499 |
2 |
2 |
0 |
0.040 |
8 |
|
D |
62 |
21 |
10379 |
◊ |
C |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
60 |
18 |
10455 |
497.2 |
-1.4 |
0.566 |
2 |
2 |
0 |
0.040 |
9 |
|
D |
60 |
18 |
10379 |
◊ |
A |
x,y,z |
1_555 |
60 |
21 |
10432 |
487.5 |
-1.9 |
0.512 |
2 |
2 |
0 |
0.040 |
| Average: |
496.1 |
-1.8 |
0.537 |
2 |
2 |
0 |
0.040 |
| 4 |
10 |
|
G |
46 |
5 |
3312 |
◊ |
C |
x,y,z |
1_555 |
62 |
22 |
10455 |
459.2 |
-3.7 |
0.363 |
4 |
0 |
0 |
0.059 |
11 |
|
E |
47 |
5 |
3309 |
◊ |
A |
x,y,z |
1_555 |
62 |
22 |
10432 |
458.3 |
-3.9 |
0.367 |
4 |
0 |
0 |
0.059 |
| Average: |
458.8 |
-3.8 |
0.365 |
4 |
0 |
0 |
0.059 |
| 5 |
12 |
|
F |
43 |
4 |
3310 |
◊ |
B |
x,y,z |
1_555 |
56 |
20 |
10380 |
447.2 |
-2.9 |
0.478 |
4 |
0 |
0 |
0.051 |
13 |
|
H |
43 |
4 |
3286 |
◊ |
D |
x,y,z |
1_555 |
56 |
20 |
10379 |
438.6 |
-2.2 |
0.518 |
5 |
0 |
0 |
0.051 |
| Average: |
442.9 |
-2.5 |
0.498 |
5 |
0 |
0 |
0.051 |
| 6 |
14 |
|
[AMP]C:800 |
23 |
1 |
503 |
f |
C |
x,y,z |
1_555 |
45 |
19 |
10455 |
331.2 |
-4.0 |
0.433 |
7 |
0 |
0 |
0.109 |
15 |
|
[AMP]B:800 |
23 |
1 |
505 |
f |
B |
x,y,z |
1_555 |
45 |
19 |
10380 |
330.9 |
-5.0 |
0.345 |
7 |
0 |
0 |
0.109 |
16 |
|
[AMP]A:800 |
22 |
1 |
503 |
f |
A |
x,y,z |
1_555 |
43 |
18 |
10432 |
330.6 |
-5.3 |
0.315 |
7 |
0 |
0 |
0.109 |
17 |
|
[AMP]D:800 |
23 |
1 |
501 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
10379 |
328.1 |
-5.1 |
0.342 |
7 |
0 |
0 |
0.109 |
| Average: |
330.2 |
-4.9 |
0.359 |
7 |
0 |
0 |
0.109 |
| 7 |
18 |
|
E |
27 |
5 |
3309 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
10380 |
222.9 |
-4.3 |
0.412 |
5 |
0 |
0 |
0.071 |
19 |
|
G |
26 |
5 |
3312 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
10379 |
222.6 |
-4.3 |
0.403 |
5 |
0 |
0 |
0.071 |
| Average: |
222.8 |
-4.3 |
0.408 |
5 |
0 |
0 |
0.071 |
| 8 |
20 |
|
F |
27 |
5 |
3310 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
10432 |
213.3 |
-6.3 |
0.311 |
5 |
0 |
0 |
0.089 |
21 |
|
H |
27 |
5 |
3286 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
10455 |
210.5 |
-6.1 |
0.320 |
5 |
0 |
0 |
0.089 |
| Average: |
211.9 |
-6.2 |
0.315 |
5 |
0 |
0 |
0.089 |
| 9 |
22 |
|
[SO4]C:903 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10455 |
94.3 |
-14.7 |
0.512 |
4 |
0 |
0 |
0.176 |
| 10 |
23 |
|
[SO4]C:901 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
10455 |
91.6 |
-14.1 |
0.624 |
2 |
0 |
0 |
0.160 |
| 11 |
24 |
|
[SO4]D:903 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
10379 |
91.5 |
-14.8 |
0.485 |
3 |
0 |
0 |
0.175 |
| 12 |
25 |
|
[SO4]B:901 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
10380 |
91.2 |
-13.9 |
0.634 |
3 |
0 |
0 |
0.166 |
| 13 |
26 |
|
[SO4]A:903 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10432 |
91.2 |
-14.9 |
0.513 |
3 |
0 |
0 |
0.169 |
| 14 |
27 |
|
[SO4]B:903 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10380 |
90.9 |
-14.9 |
0.482 |
2 |
0 |
0 |
0.173 |
| 15 |
28 |
|
[SO4]A:901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10432 |
90.4 |
-13.8 |
0.617 |
2 |
0 |
0 |
0.153 |
| 16 |
29 |
|
[SO4]D:901 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
10379 |
88.3 |
-12.9 |
0.790 |
5 |
0 |
0 |
0.165 |
| 17 |
30 |
|
[SO4]D:904 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10379 |
76.5 |
-10.8 |
0.820 |
2 |
0 |
0 |
0.127 |
| 18 |
31 |
|
[SO4]A:904 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10432 |
75.6 |
-10.5 |
0.866 |
3 |
0 |
0 |
0.124 |
| 19 |
32 |
|
[SO4]B:904 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10380 |
75.3 |
-10.3 |
0.797 |
2 |
0 |
0 |
0.122 |
| 20 |
33 |
|
[SO4]C:904 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10455 |
74.4 |
-9.9 |
0.838 |
2 |
0 |
0 |
0.115 |
| 21 |
34 |
|
[AMP]A:800 |
9 |
1 |
503 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
3309 |
74.4 |
0.9 |
0.689 |
0 |
0 |
0 |
0.000 |
35 |
|
[AMP]C:800 |
9 |
1 |
503 |
◊ |
G |
x,y,z |
1_555 |
12 |
3 |
3312 |
73.3 |
1.0 |
0.681 |
0 |
0 |
0 |
0.000 |
| Average: |
73.9 |
0.9 |
0.685 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[AMP]D:800 |
8 |
1 |
501 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
3286 |
74.1 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
37 |
|
[AMP]B:800 |
8 |
1 |
505 |
◊ |
F |
x,y,z |
1_555 |
12 |
3 |
3310 |
74.0 |
1.0 |
0.672 |
0 |
0 |
0 |
0.000 |
| Average: |
74.0 |
1.0 |
0.676 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[SO4]B:902 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10380 |
69.6 |
-10.1 |
0.676 |
2 |
0 |
0 |
0.120 |
| 24 |
39 |
|
[SO4]C:902 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10455 |
69.3 |
-10.1 |
0.676 |
2 |
0 |
0 |
0.118 |
| 25 |
40 |
|
[SO4]D:902 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10379 |
67.6 |
-9.7 |
0.704 |
2 |
0 |
0 |
0.115 |
| 26 |
41 |
|
[SO4]A:902 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10432 |
65.8 |
-9.7 |
0.663 |
3 |
0 |
0 |
0.115 |
| 27 |
42 |
|
[SO4]D:904 |
4 |
1 |
185 |
◊ |
C |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
6 |
3 |
10455 |
45.8 |
-4.7 |
0.937 |
1 |
0 |
0 |
0.017 |
| 28 |
43 |
|
[SO4]C:904 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
10380 |
43.8 |
-4.5 |
0.949 |
0 |
0 |
0 |
0.015 |
| 29 |
44 |
|
[SO4]A:904 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
10379 |
42.4 |
-4.5 |
0.946 |
1 |
0 |
0 |
0.017 |
| 30 |
45 |
|
[SO4]B:904 |
4 |
1 |
186 |
◊ |
A |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
5 |
2 |
10432 |
41.3 |
-4.5 |
0.957 |
1 |
0 |
0 |
0.017 |
| 31 |
46 |
|
[SO4]C:903 |
4 |
1 |
185 |
◊ |
D |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
3 |
1 |
10379 |
33.9 |
-3.8 |
0.720 |
0 |
0 |
0 |
0.013 |
| 32 |
47 |
|
[SO4]D:903 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10432 |
33.4 |
-2.9 |
0.976 |
1 |
0 |
0 |
0.011 |
| 33 |
48 |
|
[SO4]B:903 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10455 |
32.5 |
-4.1 |
0.791 |
0 |
0 |
0 |
0.014 |
| 34 |
49 |
|
[SO4]A:903 |
3 |
1 |
184 |
◊ |
B |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
2 |
1 |
10380 |
29.9 |
-4.0 |
0.349 |
0 |
0 |
0 |
0.014 |
| 35 |
50 |
|
E |
1 |
1 |
3309 |
◊ |
E |
y+1/3,x-1/3,-z-1/3 |
16_544 |
1 |
1 |
3309 |
21.9 |
-2.3 |
0.113 |
0 |
0 |
0 |
0.000 |
| 36 |
51 |
|
H |
2 |
1 |
3286 |
◊ |
G |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
1 |
1 |
3312 |
21.6 |
-2.2 |
0.157 |
0 |
0 |
0 |
0.000 |
| 37 |
52 |
|
F |
2 |
1 |
3310 |
◊ |
F |
y+1/3,x-1/3,-z-1/3 |
16_544 |
3 |
1 |
3310 |
20.3 |
-2.0 |
0.264 |
0 |
0 |
0 |
0.000 |
| 38 |
53 |
|
D |
1 |
1 |
10379 |
◊ |
B |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
1 |
1 |
10380 |
12.6 |
-0.4 |
0.171 |
0 |
0 |
0 |
0.003 |
54 |
|
C |
1 |
1 |
10455 |
◊ |
A |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
1 |
1 |
10432 |
11.8 |
-0.4 |
0.182 |
0 |
0 |
0 |
0.003 |
| Average: |
12.2 |
-0.4 |
0.176 |
0 |
0 |
0 |
0.003 |
| 39 |
55 |
|
[SO4]B:902 |
1 |
1 |
186 |
◊ |
C |
-y+1,x-y,z |
2_655 |
1 |
1 |
10455 |
8.8 |
-1.0 |
0.807 |
0 |
0 |
0 |
0.006 |
| 40 |
56 |
|
B |
1 |
1 |
10380 |
◊ |
[SO4]C:902 |
-y+1,x-y,z |
2_655 |
2 |
1 |
185 |
8.3 |
-0.9 |
0.886 |
0 |
0 |
0 |
0.005 |
| 41 |
57 |
|
[SO4]A:902 |
3 |
1 |
185 |
◊ |
A |
x-y,-y,-z |
5_555 |
2 |
2 |
10432 |
6.5 |
-0.6 |
0.843 |
0 |
0 |
0 |
0.002 |
| 42 |
58 |
|
[SO4]D:902 |
3 |
1 |
186 |
◊ |
D |
y,x,-z |
4_555 |
1 |
1 |
10379 |
3.8 |
-0.3 |
0.873 |
0 |
0 |
0 |
0.004 |
|