## |
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 |
59 |
19 |
10063 |
x |
D |
x-1,y,z |
1_455 |
43 |
13 |
10063 |
549.7 |
-8.1 |
0.144 |
6 |
0 |
0 |
0.000 |
2 |
|
A |
64 |
19 |
9988 |
x |
A |
x-1,y,z |
1_455 |
44 |
14 |
9988 |
541.6 |
-8.1 |
0.172 |
5 |
0 |
0 |
0.000 |
Average: |
545.6 |
-8.1 |
0.158 |
6 |
0 |
0 |
0.000 |
2 |
3 |
|
E |
45 |
4 |
1626 |
◊ |
D |
x-1,y,z-1 |
1_454 |
56 |
17 |
10063 |
420.4 |
-4.8 |
0.686 |
7 |
0 |
0 |
0.152 |
3 |
4 |
|
B |
42 |
13 |
9701 |
◊ |
D |
x,y,z-1 |
1_554 |
38 |
13 |
10063 |
408.4 |
-7.8 |
0.099 |
3 |
0 |
0 |
0.012 |
5 |
|
I |
41 |
13 |
9622 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
9988 |
402.6 |
-7.4 |
0.119 |
4 |
0 |
0 |
0.012 |
Average: |
405.5 |
-7.6 |
0.109 |
4 |
0 |
0 |
0.012 |
4 |
6 |
|
E |
43 |
4 |
1626 |
◊ |
I |
x,y,z |
1_555 |
48 |
16 |
9622 |
380.5 |
-6.3 |
0.535 |
5 |
0 |
0 |
0.217 |
5 |
7 |
|
I |
28 |
9 |
9622 |
x |
I |
x-1,y,z |
1_455 |
23 |
7 |
9622 |
255.8 |
-2.6 |
0.327 |
3 |
3 |
0 |
0.000 |
8 |
|
B |
25 |
8 |
9701 |
x |
B |
x-1,y,z |
1_455 |
23 |
8 |
9701 |
253.9 |
-2.9 |
0.252 |
4 |
2 |
0 |
0.000 |
Average: |
254.9 |
-2.7 |
0.289 |
4 |
3 |
0 |
0.000 |
6 |
9 |
|
B |
30 |
10 |
9701 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
9988 |
247.9 |
-0.9 |
0.648 |
3 |
0 |
0 |
0.001 |
10 |
|
I |
30 |
14 |
9622 |
◊ |
D |
x-1,y,z-1 |
1_454 |
27 |
9 |
10063 |
246.9 |
-0.3 |
0.698 |
2 |
0 |
0 |
0.001 |
Average: |
247.4 |
-0.6 |
0.673 |
3 |
0 |
0 |
0.001 |
7 |
11 |
|
[BRU]K:5 |
19 |
1 |
442 |
◊ |
I |
x,y,z |
1_555 |
31 |
9 |
9622 |
244.5 |
2.4 |
0.728 |
3 |
0 |
0 |
0.000 |
12 |
|
B |
33 |
9 |
9701 |
◊ |
[BRU]H:5 |
x,y,z-1 |
1_554 |
19 |
1 |
445 |
241.6 |
3.0 |
0.796 |
3 |
0 |
0 |
0.000 |
Average: |
243.1 |
2.7 |
0.762 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
[BRU]P:5 |
20 |
1 |
450 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
9988 |
243.4 |
1.2 |
0.579 |
3 |
0 |
0 |
0.000 |
14 |
|
[BRU]E:5 |
19 |
1 |
445 |
◊ |
D |
x-1,y,z-1 |
1_454 |
30 |
9 |
10063 |
211.1 |
2.3 |
0.747 |
3 |
0 |
0 |
0.000 |
Average: |
227.3 |
1.8 |
0.663 |
3 |
0 |
0 |
0.000 |
9 |
15 |
|
B |
26 |
6 |
9701 |
◊ |
I |
-x-2,y-1/2,-z-1 |
2_344 |
31 |
11 |
9622 |
233.4 |
-5.5 |
0.127 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
A |
22 |
6 |
9988 |
◊ |
B |
x-1,y,z+1 |
1_456 |
28 |
9 |
9701 |
209.2 |
-2.4 |
0.387 |
2 |
0 |
0 |
0.000 |
17 |
|
D |
21 |
6 |
10063 |
◊ |
I |
x-1,y,z |
1_455 |
24 |
8 |
9622 |
197.0 |
-2.6 |
0.373 |
0 |
0 |
0 |
0.000 |
Average: |
203.1 |
-2.5 |
0.380 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
I |
23 |
7 |
9622 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
10063 |
201.2 |
0.3 |
0.745 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
23 |
7 |
9701 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
10 |
9988 |
179.7 |
-0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
Average: |
190.4 |
-0.0 |
0.722 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
D |
19 |
7 |
10063 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
6 |
9988 |
188.4 |
-1.3 |
0.523 |
1 |
1 |
0 |
0.000 |
21 |
|
A |
14 |
6 |
9988 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
6 |
10063 |
152.3 |
-0.9 |
0.551 |
1 |
1 |
0 |
0.000 |
Average: |
170.3 |
-1.1 |
0.537 |
1 |
1 |
0 |
0.000 |
13 |
22 |
|
[BRU]E:5 |
14 |
1 |
445 |
cf |
E |
x,y,z |
1_555 |
18 |
2 |
1626 |
144.1 |
0.9 |
0.647 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[DIO]D:401 |
6 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
16 |
9 |
10063 |
134.6 |
4.2 |
0.357 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[DIO]A:401 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
9988 |
131.4 |
4.6 |
0.234 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
D |
10 |
4 |
10063 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
9988 |
111.5 |
2.3 |
0.926 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
[SO4]D:404 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
10063 |
100.5 |
-12.9 |
0.848 |
3 |
0 |
0 |
0.274 |
18 |
27 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9988 |
99.3 |
-14.4 |
0.671 |
2 |
0 |
0 |
0.058 |
19 |
28 |
|
[SO4]D:403 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
10063 |
93.3 |
-13.2 |
0.818 |
1 |
0 |
0 |
0.262 |
20 |
29 |
|
[DIO]I:401 |
6 |
1 |
220 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
9622 |
82.2 |
2.1 |
0.025 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[BRU]P:5 |
6 |
1 |
450 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
9701 |
78.7 |
-1.4 |
0.333 |
2 |
0 |
0 |
0.038 |
31 |
|
[BRU]E:5 |
5 |
1 |
445 |
◊ |
I |
x,y,z |
1_555 |
9 |
5 |
9622 |
62.3 |
-1.0 |
0.300 |
1 |
0 |
0 |
0.038 |
Average: |
70.5 |
-1.2 |
0.317 |
2 |
0 |
0 |
0.038 |
22 |
32 |
|
[DIO]B:401 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9701 |
77.8 |
1.3 |
0.015 |
1 |
0 |
0 |
0.000 |
23 |
33 |
|
[SO4]I:403 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
12 |
5 |
9622 |
77.0 |
-11.4 |
0.764 |
3 |
0 |
0 |
0.322 |
24 |
34 |
|
[SO4]B:402 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9701 |
74.7 |
-11.1 |
0.769 |
3 |
0 |
0 |
0.041 |
25 |
35 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9988 |
73.7 |
-8.7 |
0.962 |
3 |
0 |
0 |
0.038 |
26 |
36 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9701 |
70.6 |
-10.1 |
0.683 |
2 |
0 |
0 |
0.037 |
27 |
37 |
|
B |
14 |
6 |
9701 |
◊ |
[DIO]B:401 |
x-1,y,z |
1_455 |
5 |
1 |
219 |
70.0 |
2.0 |
0.048 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10063 |
69.4 |
-8.1 |
0.942 |
4 |
0 |
0 |
0.191 |
29 |
39 |
|
[SO4]I:402 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
10 |
5 |
9622 |
68.8 |
-10.1 |
0.692 |
2 |
0 |
0 |
0.279 |
30 |
40 |
|
[BRU]K:5 |
6 |
1 |
442 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
10063 |
68.2 |
-1.6 |
0.312 |
1 |
0 |
0 |
0.040 |
41 |
|
[BRU]H:5 |
6 |
1 |
445 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9988 |
66.5 |
-1.7 |
0.317 |
1 |
0 |
0 |
0.040 |
Average: |
67.4 |
-1.7 |
0.314 |
1 |
0 |
0 |
0.040 |
31 |
42 |
|
[SO4]I:404 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
9622 |
58.0 |
-6.9 |
0.963 |
2 |
0 |
0 |
0.197 |
32 |
43 |
|
B |
5 |
2 |
9701 |
f |
[SO4]H:101 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
55.8 |
-6.6 |
0.959 |
2 |
0 |
0 |
0.025 |
33 |
44 |
|
I |
8 |
5 |
9622 |
f |
[DIO]I:401 |
x-1,y,z |
1_455 |
6 |
1 |
220 |
55.8 |
1.6 |
0.030 |
1 |
0 |
0 |
0.000 |
34 |
45 |
|
A |
7 |
4 |
9988 |
f |
[DIO]A:401 |
x-1,y,z |
1_455 |
4 |
1 |
221 |
47.4 |
1.2 |
0.070 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
D |
7 |
4 |
10063 |
f |
[DIO]D:401 |
x-1,y,z |
1_455 |
3 |
1 |
220 |
43.7 |
1.2 |
0.128 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
E |
4 |
1 |
1626 |
◊ |
[SO4]D:403 |
x-1,y,z-1 |
1_454 |
4 |
1 |
185 |
35.6 |
-4.7 |
0.658 |
1 |
0 |
0 |
0.100 |
37 |
48 |
|
D |
3 |
1 |
10063 |
◊ |
[SO4]D:403 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
27.9 |
-3.0 |
0.779 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
I |
1 |
1 |
9622 |
◊ |
D |
x-2,y,z-1 |
1_354 |
4 |
2 |
10063 |
27.6 |
1.3 |
0.869 |
1 |
0 |
0 |
0.000 |
50 |
|
B |
4 |
1 |
9701 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
9988 |
22.2 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
Average: |
24.9 |
0.7 |
0.775 |
1 |
0 |
0 |
0.000 |
39 |
51 |
|
[BRU]E:5 |
2 |
1 |
445 |
◊ |
[SO4]D:402 |
x-1,y,z-1 |
1_454 |
2 |
1 |
185 |
9.3 |
-1.3 |
0.590 |
0 |
0 |
0 |
0.025 |
40 |
52 |
|
[SO4]B:403 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9988 |
6.1 |
-0.8 |
0.514 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
E |
1 |
1 |
1626 |
◊ |
[SO4]D:402 |
x-1,y,z-1 |
1_454 |
1 |
1 |
185 |
4.6 |
-0.8 |
0.445 |
0 |
0 |
0 |
0.016 |
42 |
54 |
|
[BRU]P:5 |
2 |
1 |
450 |
◊ |
[SO4]A:402 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.5 |
-0.6 |
0.618 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
[SO4]H:101 |
1 |
1 |
185 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
10063 |
3.7 |
-0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[BRU]K:5 |
1 |
1 |
442 |
◊ |
[SO4]I:404 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.5 |
-0.4 |
0.592 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[BRU]H:5 |
1 |
1 |
445 |
◊ |
[SO4]H:101 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.1 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|