| ## |
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 |
|
E |
139 |
35 |
6774 |
◊ |
D |
x,y,z |
1_555 |
149 |
43 |
15603 |
1314.6 |
-10.9 |
0.186 |
21 |
5 |
0 |
0.495 |
2 |
|
B |
135 |
35 |
6640 |
◊ |
A |
x,y,z |
1_555 |
141 |
42 |
15605 |
1305.7 |
-10.7 |
0.174 |
21 |
6 |
0 |
0.495 |
| Average: |
1310.2 |
-10.8 |
0.180 |
21 |
6 |
0 |
0.495 |
| 2 |
3 |
|
D |
142 |
43 |
15603 |
◊ |
A |
x,y,z |
1_555 |
139 |
42 |
15605 |
1296.3 |
-8.4 |
0.255 |
4 |
3 |
0 |
0.087 |
| 3 |
4 |
|
F |
66 |
9 |
1374 |
◊ |
D |
x,y,z |
1_555 |
111 |
37 |
15603 |
829.9 |
-10.6 |
0.353 |
15 |
4 |
0 |
0.631 |
5 |
|
C |
64 |
9 |
1351 |
◊ |
A |
x,y,z |
1_555 |
108 |
37 |
15605 |
829.3 |
-10.0 |
0.433 |
17 |
4 |
0 |
0.631 |
| Average: |
829.6 |
-10.3 |
0.393 |
16 |
4 |
0 |
0.631 |
| 4 |
6 |
|
D |
34 |
10 |
15603 |
◊ |
A |
x,y-1,z |
1_545 |
38 |
11 |
15605 |
312.7 |
1.5 |
0.733 |
4 |
0 |
0 |
0.000 |
7 |
|
A |
32 |
11 |
15605 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
13 |
15603 |
311.0 |
0.8 |
0.666 |
4 |
1 |
0 |
0.000 |
| Average: |
311.8 |
1.2 |
0.699 |
4 |
1 |
0 |
0.000 |
| 5 |
8 |
|
A |
39 |
10 |
15605 |
◊ |
D |
x-1,y,z+1 |
1_456 |
37 |
11 |
15603 |
297.9 |
-1.7 |
0.424 |
3 |
2 |
0 |
0.000 |
| 6 |
9 |
|
A |
30 |
10 |
15605 |
◊ |
E |
x-1,y+1,z |
1_465 |
27 |
10 |
6774 |
269.8 |
-1.6 |
0.433 |
1 |
0 |
0 |
0.023 |
10 |
|
B |
25 |
11 |
6640 |
◊ |
D |
x-1,y+1,z |
1_465 |
32 |
11 |
15603 |
258.9 |
-0.4 |
0.509 |
2 |
0 |
0 |
0.023 |
| Average: |
264.3 |
-1.0 |
0.471 |
2 |
0 |
0 |
0.023 |
| 7 |
11 |
|
E |
32 |
7 |
6774 |
◊ |
B |
x,y,z |
1_555 |
32 |
7 |
6640 |
259.9 |
-0.1 |
0.602 |
4 |
0 |
0 |
0.016 |
| 8 |
12 |
|
A |
22 |
8 |
15605 |
◊ |
F |
x-1,y,z+1 |
1_456 |
22 |
6 |
1374 |
210.5 |
-2.9 |
0.456 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
17 |
6 |
15605 |
x |
A |
x,y,z-1 |
1_554 |
21 |
6 |
15605 |
159.8 |
0.5 |
0.614 |
1 |
1 |
0 |
0.000 |
| 10 |
14 |
|
E |
17 |
7 |
6774 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
15605 |
145.3 |
-1.7 |
0.290 |
1 |
0 |
0 |
0.027 |
15 |
|
B |
12 |
6 |
6640 |
◊ |
D |
x,y,z |
1_555 |
20 |
9 |
15603 |
127.1 |
-1.2 |
0.356 |
0 |
0 |
0 |
0.027 |
| Average: |
136.2 |
-1.5 |
0.323 |
1 |
0 |
0 |
0.027 |
| 11 |
16 |
|
[EDO]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
15603 |
123.8 |
3.7 |
0.445 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]D:301 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
15603 |
110.3 |
0.1 |
0.560 |
3 |
0 |
0 |
0.043 |
| 13 |
18 |
|
[GOL]E:102 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
6774 |
108.9 |
0.2 |
0.600 |
4 |
0 |
0 |
0.100 |
| 14 |
19 |
|
[SO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15605 |
93.0 |
-14.2 |
0.713 |
4 |
0 |
0 |
0.341 |
| 15 |
20 |
|
[SO4]B:101 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15605 |
87.3 |
-12.6 |
0.621 |
0 |
0 |
0 |
0.270 |
| 16 |
21 |
|
[SO4]E:101 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
15603 |
84.0 |
-12.5 |
0.569 |
0 |
0 |
0 |
0.441 |
| 17 |
22 |
|
D |
8 |
2 |
15603 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
4 |
6640 |
72.2 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
6 |
2 |
15605 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
1 |
6774 |
47.2 |
-0.0 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
59.7 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[GOL]E:102 |
5 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
15603 |
70.6 |
-0.6 |
0.451 |
2 |
0 |
0 |
0.034 |
| 19 |
25 |
|
B |
6 |
4 |
6640 |
◊ |
[GOL]D:301 |
x-1,y+1,z |
1_465 |
4 |
1 |
223 |
66.8 |
0.5 |
0.620 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[SO4]B:101 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6640 |
62.1 |
-7.3 |
0.898 |
1 |
0 |
0 |
0.120 |
| 21 |
27 |
|
[SO4]E:101 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
6774 |
62.1 |
-7.5 |
0.891 |
1 |
0 |
0 |
0.187 |
| 22 |
28 |
|
D |
6 |
2 |
15603 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
2 |
15605 |
60.4 |
0.9 |
0.791 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
A |
7 |
3 |
15605 |
x |
A |
x-1,y,z |
1_455 |
5 |
1 |
15605 |
57.9 |
0.7 |
0.763 |
1 |
0 |
0 |
0.000 |
30 |
|
D |
6 |
3 |
15603 |
x |
D |
x,y-1,z |
1_545 |
5 |
1 |
15603 |
55.3 |
1.2 |
0.841 |
1 |
0 |
0 |
0.000 |
| Average: |
56.6 |
0.9 |
0.802 |
1 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[SO4]A:301 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
6640 |
54.6 |
-6.9 |
0.621 |
0 |
0 |
0 |
0.107 |
| 25 |
32 |
|
D |
7 |
4 |
15603 |
x |
D |
x-1,y,z+1 |
1_456 |
5 |
2 |
15603 |
38.3 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
B |
6 |
2 |
6640 |
◊ |
E |
x-1,y+1,z |
1_465 |
6 |
2 |
6774 |
33.4 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.001 |
| 27 |
34 |
|
A |
4 |
2 |
15605 |
◊ |
D |
x-1,y+1,z+1 |
1_466 |
3 |
1 |
15603 |
24.0 |
0.8 |
0.830 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
B |
3 |
1 |
6640 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
15603 |
18.4 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
36 |
|
E |
3 |
1 |
6774 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
15605 |
15.5 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
| Average: |
17.0 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
D |
1 |
1 |
15603 |
◊ |
F |
x-1,y,z+1 |
1_456 |
2 |
1 |
1374 |
1.5 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
|