| ## |
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 |
202 |
56 |
13836 |
◊ |
A |
x,y,z |
1_555 |
202 |
58 |
13709 |
2099.1 |
-16.7 |
0.272 |
19 |
0 |
0 |
0.395 |
2 |
|
D |
176 |
52 |
13540 |
◊ |
C |
x,y,z |
1_555 |
182 |
52 |
13638 |
1853.6 |
-15.9 |
0.238 |
17 |
1 |
0 |
0.395 |
| Average: |
1976.4 |
-16.3 |
0.255 |
18 |
1 |
0 |
0.395 |
| 2 |
3 |
|
D |
56 |
17 |
13540 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
13836 |
525.1 |
-6.6 |
0.245 |
2 |
6 |
0 |
0.119 |
4 |
|
C |
53 |
16 |
13638 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
13709 |
514.2 |
-6.8 |
0.184 |
2 |
6 |
0 |
0.119 |
| Average: |
519.7 |
-6.7 |
0.214 |
2 |
6 |
0 |
0.119 |
| 3 |
5 |
|
A |
37 |
12 |
13709 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
38 |
10 |
13638 |
324.8 |
2.1 |
0.841 |
5 |
8 |
0 |
0.000 |
| 4 |
6 |
|
A |
38 |
10 |
13709 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
34 |
13 |
13638 |
314.5 |
-0.5 |
0.667 |
4 |
7 |
0 |
0.000 |
| 5 |
7 |
|
D |
33 |
10 |
13540 |
◊ |
C |
x-1,y,z |
1_455 |
41 |
12 |
13638 |
289.9 |
-1.2 |
0.584 |
3 |
3 |
0 |
0.000 |
8 |
|
B |
37 |
14 |
13836 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
9 |
13709 |
255.3 |
-1.8 |
0.533 |
1 |
0 |
0 |
0.000 |
| Average: |
272.6 |
-1.5 |
0.559 |
2 |
2 |
0 |
0.000 |
| 6 |
9 |
|
A |
14 |
6 |
13709 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
9 |
13540 |
187.0 |
0.1 |
0.702 |
1 |
3 |
0 |
0.007 |
| 7 |
10 |
|
[PEP]C:402 |
10 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
13638 |
186.5 |
-5.6 |
0.548 |
9 |
0 |
0 |
0.153 |
| 8 |
11 |
|
[PEP]B:402 |
10 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
27 |
15 |
13836 |
182.7 |
-3.7 |
0.680 |
10 |
0 |
0 |
0.255 |
12 |
|
[PEP]A:402 |
10 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
13709 |
181.2 |
-3.7 |
0.668 |
10 |
0 |
0 |
0.255 |
13 |
|
[PEP]D:402 |
10 |
1 |
285 |
f |
D |
x,y,z |
1_555 |
25 |
13 |
13540 |
178.0 |
-3.7 |
0.660 |
10 |
0 |
0 |
0.255 |
| Average: |
180.6 |
-3.7 |
0.670 |
10 |
0 |
0 |
0.255 |
| 9 |
14 |
|
B |
14 |
8 |
13836 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
7 |
13540 |
136.5 |
0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
11 |
4 |
13540 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
4 |
13836 |
109.1 |
-0.2 |
0.636 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[EDO]D:403 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
13540 |
103.9 |
4.0 |
0.571 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[EDO]B:403 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
13836 |
99.7 |
3.0 |
0.514 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]A:403 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13709 |
95.6 |
-11.9 |
0.927 |
0 |
0 |
0 |
0.187 |
| 14 |
19 |
|
[SO4]D:404 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
13540 |
94.6 |
-11.2 |
0.940 |
0 |
0 |
0 |
0.180 |
| 15 |
20 |
|
B |
10 |
4 |
13836 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
3 |
13638 |
87.4 |
0.1 |
0.635 |
1 |
1 |
0 |
0.000 |
| 16 |
21 |
|
[EDO]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13836 |
76.6 |
2.0 |
0.264 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[EDO]C:404 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
13638 |
76.0 |
2.0 |
0.257 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[EDO]C:403 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
13638 |
70.9 |
1.7 |
0.794 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
D |
6 |
1 |
13540 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13709 |
56.6 |
-0.5 |
0.383 |
0 |
0 |
0 |
0.009 |
25 |
|
C |
6 |
1 |
13638 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13836 |
55.2 |
-0.9 |
0.327 |
0 |
0 |
0 |
0.009 |
| Average: |
55.9 |
-0.7 |
0.355 |
0 |
0 |
0 |
0.009 |
| 20 |
26 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
13638 |
54.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.153 |
27 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13709 |
53.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.153 |
28 |
|
[MN]B:401 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
7 |
5 |
13836 |
52.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.153 |
29 |
|
[MN]D:401 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
5 |
4 |
13540 |
50.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.153 |
| Average: |
52.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.153 |
| 21 |
30 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
2 |
13540 |
50.8 |
2.2 |
0.975 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[EDO]D:403 |
4 |
1 |
186 |
f |
[SO4]D:404 |
x,y,z |
1_555 |
3 |
1 |
187 |
37.4 |
-3.6 |
0.996 |
0 |
0 |
0 |
0.058 |
| 23 |
32 |
|
[EDO]B:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13709 |
32.7 |
0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[PEP]B:402 |
5 |
1 |
286 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.044 |
34 |
|
[PEP]A:402 |
4 |
1 |
287 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.044 |
35 |
|
[PEP]D:402 |
4 |
1 |
285 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
26.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 25 |
36 |
|
[PEP]C:402 |
4 |
1 |
284 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
21.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 26 |
37 |
|
A |
3 |
2 |
13709 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
13540 |
16.4 |
-0.4 |
0.392 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[EDO]D:403 |
1 |
1 |
186 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 28 |
39 |
|
[EDO]B:403 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
13540 |
2.7 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
|