## |
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 |
184 |
52 |
13428 |
◊ |
A |
x,y,z |
1_555 |
189 |
53 |
13465 |
1913.2 |
-16.6 |
0.192 |
14 |
2 |
0 |
0.421 |
2 |
|
D |
184 |
52 |
13313 |
◊ |
C |
x,y,z |
1_555 |
188 |
53 |
13304 |
1892.3 |
-16.4 |
0.262 |
14 |
2 |
0 |
0.421 |
Average: |
1902.8 |
-16.5 |
0.227 |
14 |
2 |
0 |
0.421 |
2 |
3 |
|
D |
56 |
17 |
13313 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
13428 |
531.4 |
-7.0 |
0.191 |
2 |
6 |
0 |
0.109 |
4 |
|
C |
56 |
17 |
13304 |
◊ |
A |
x,y,z |
1_555 |
56 |
17 |
13465 |
526.6 |
-7.4 |
0.167 |
2 |
6 |
0 |
0.109 |
Average: |
529.0 |
-7.2 |
0.179 |
2 |
6 |
0 |
0.109 |
3 |
5 |
|
A |
37 |
10 |
13465 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
33 |
12 |
13304 |
312.3 |
0.9 |
0.783 |
4 |
7 |
0 |
0.000 |
4 |
6 |
|
A |
29 |
9 |
13465 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
28 |
7 |
13304 |
274.2 |
1.4 |
0.823 |
5 |
7 |
0 |
0.000 |
5 |
7 |
|
B |
37 |
14 |
13428 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
9 |
13465 |
261.9 |
-1.7 |
0.488 |
1 |
0 |
0 |
0.000 |
8 |
|
D |
32 |
9 |
13313 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
11 |
13304 |
251.6 |
-1.1 |
0.597 |
3 |
2 |
0 |
0.000 |
Average: |
256.7 |
-1.4 |
0.543 |
2 |
1 |
0 |
0.000 |
6 |
9 |
|
[PEP]B:402 |
10 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
13428 |
180.7 |
-3.7 |
0.697 |
10 |
0 |
0 |
0.294 |
10 |
|
[PEP]C:402 |
10 |
1 |
285 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
13304 |
178.8 |
-3.0 |
0.687 |
10 |
0 |
0 |
0.294 |
11 |
|
[PEP]A:402 |
10 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
13465 |
178.5 |
-3.6 |
0.672 |
10 |
0 |
0 |
0.294 |
12 |
|
[PEP]D:402 |
10 |
1 |
285 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
13313 |
176.5 |
-3.6 |
0.663 |
10 |
0 |
0 |
0.294 |
Average: |
178.6 |
-3.5 |
0.680 |
10 |
0 |
0 |
0.294 |
7 |
13 |
|
A |
16 |
6 |
13465 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
10 |
13313 |
161.7 |
-0.7 |
0.577 |
1 |
2 |
0 |
0.010 |
8 |
14 |
|
D |
18 |
4 |
13313 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
4 |
13428 |
152.6 |
0.5 |
0.737 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
B |
12 |
8 |
13428 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
8 |
13313 |
128.9 |
0.8 |
0.677 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
11 |
5 |
13428 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
10 |
4 |
13304 |
108.9 |
0.3 |
0.712 |
1 |
1 |
0 |
0.000 |
11 |
17 |
|
[PEG]D:405 |
6 |
1 |
264 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
13313 |
92.6 |
3.7 |
0.430 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]C:404 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
13304 |
89.6 |
-10.7 |
0.935 |
0 |
0 |
0 |
0.117 |
13 |
19 |
|
[EDO]D:406 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
13313 |
86.6 |
2.2 |
0.257 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]A:404 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13465 |
85.2 |
2.0 |
0.248 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
16 |
6 |
13428 |
f |
[PEG]D:405 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
264 |
81.3 |
1.7 |
0.357 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
13304 |
63.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.274 |
23 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
13313 |
62.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.274 |
Average: |
62.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.274 |
17 |
24 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
13313 |
60.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.121 |
25 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13465 |
59.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
60.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
26 |
|
D |
6 |
1 |
13313 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13465 |
58.0 |
-0.4 |
0.495 |
0 |
0 |
0 |
0.005 |
27 |
|
C |
6 |
1 |
13304 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
13428 |
57.5 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.005 |
Average: |
57.8 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.005 |
19 |
28 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
13304 |
53.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.161 |
29 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
13428 |
52.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.161 |
30 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13465 |
51.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.161 |
31 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
13313 |
51.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
52.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.161 |
20 |
32 |
|
A |
5 |
2 |
13465 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
13313 |
31.8 |
0.1 |
0.386 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
[PEP]B:402 |
4 |
1 |
287 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.054 |
34 |
|
[PEP]D:402 |
4 |
1 |
285 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.054 |
35 |
|
[PEP]A:402 |
4 |
1 |
287 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.054 |
36 |
|
[PEP]C:402 |
4 |
1 |
285 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
27.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.054 |
|