| ## |
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 |
342 |
88 |
14791 |
◊ |
A |
x,y,z |
1_555 |
345 |
89 |
14911 |
3228.1 |
-24.4 |
0.276 |
40 |
8 |
0 |
0.638 |
2 |
|
D |
334 |
88 |
15023 |
◊ |
C |
x,y,z |
1_555 |
335 |
89 |
14853 |
3186.7 |
-28.2 |
0.186 |
37 |
9 |
0 |
0.638 |
| Average: |
3207.4 |
-26.3 |
0.231 |
39 |
9 |
0 |
0.638 |
| 2 |
3 |
|
D |
48 |
13 |
15023 |
◊ |
B |
x,y,z |
1_555 |
55 |
15 |
14791 |
461.1 |
-5.6 |
0.236 |
4 |
8 |
0 |
0.085 |
4 |
|
C |
52 |
15 |
14853 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
14911 |
458.2 |
-5.2 |
0.285 |
3 |
8 |
0 |
0.085 |
| Average: |
459.6 |
-5.4 |
0.261 |
4 |
8 |
0 |
0.085 |
| 3 |
5 |
|
D |
38 |
11 |
15023 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
48 |
12 |
14791 |
390.4 |
4.5 |
0.899 |
4 |
7 |
0 |
0.000 |
| 4 |
6 |
|
D |
37 |
9 |
15023 |
◊ |
B |
-x+1,y-1/2,-z-2 |
2_643 |
27 |
8 |
14791 |
273.9 |
1.2 |
0.729 |
2 |
4 |
0 |
0.000 |
| 5 |
7 |
|
C |
30 |
8 |
14853 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
25 |
6 |
14791 |
249.7 |
-0.9 |
0.578 |
3 |
1 |
0 |
0.000 |
| 6 |
8 |
|
D |
24 |
7 |
15023 |
◊ |
A |
-x+1,y-1/2,-z-2 |
2_643 |
25 |
7 |
14911 |
215.2 |
0.1 |
0.671 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
18 |
7 |
14853 |
◊ |
A |
-x,y-1/2,-z-2 |
2_543 |
29 |
11 |
14911 |
201.6 |
0.8 |
0.677 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[PEP]C:402 |
10 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
30 |
13 |
14853 |
192.1 |
-5.8 |
0.533 |
7 |
0 |
0 |
0.124 |
| 9 |
11 |
|
D |
25 |
8 |
15023 |
◊ |
A |
-x,y-1/2,-z-2 |
2_543 |
24 |
8 |
14911 |
188.8 |
0.4 |
0.713 |
1 |
2 |
0 |
0.000 |
| 10 |
12 |
|
[PEP]B:403 |
10 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
14791 |
186.6 |
-5.5 |
0.560 |
7 |
0 |
0 |
0.181 |
13 |
|
[PEP]D:404 |
10 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
31 |
12 |
15023 |
185.4 |
-5.0 |
0.582 |
7 |
0 |
0 |
0.181 |
14 |
|
[PEP]A:407 |
10 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
14911 |
183.8 |
-4.6 |
0.596 |
7 |
0 |
0 |
0.181 |
| Average: |
185.3 |
-5.0 |
0.579 |
7 |
0 |
0 |
0.181 |
| 11 |
15 |
|
[PGE]A:406 |
9 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
14911 |
156.6 |
3.5 |
0.299 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[PEG]A:405 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14911 |
138.9 |
4.0 |
0.435 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[PEG]D:403 |
7 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
15023 |
138.2 |
3.3 |
0.387 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[PGE]A:406 |
9 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
14791 |
117.1 |
3.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
C |
9 |
4 |
14853 |
◊ |
B |
-x+1,y-1/2,-z-2 |
2_643 |
16 |
4 |
14791 |
103.9 |
-0.7 |
0.515 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
D |
11 |
5 |
15023 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14911 |
89.9 |
-0.7 |
0.498 |
0 |
0 |
0 |
0.006 |
21 |
|
C |
8 |
3 |
14853 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
14791 |
46.5 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.006 |
| Average: |
68.2 |
-0.6 |
0.471 |
0 |
0 |
0 |
0.006 |
| 17 |
22 |
|
[EDO]B:402 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
14791 |
88.5 |
2.6 |
0.441 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[EDO]A:404 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
14911 |
84.6 |
2.3 |
0.277 |
3 |
0 |
0 |
0.000 |
| 19 |
24 |
|
A |
12 |
5 |
14911 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
14791 |
79.3 |
-0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
8 |
5 |
14853 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
15023 |
38.0 |
-0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
| Average: |
58.6 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[SO4]A:402 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14911 |
69.6 |
-9.6 |
0.781 |
0 |
0 |
0 |
0.106 |
| 21 |
27 |
|
[EDO]D:402 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15023 |
52.9 |
1.0 |
0.611 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14911 |
52.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.157 |
29 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14791 |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.157 |
| Average: |
51.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.157 |
| 23 |
30 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
14911 |
52.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.139 |
31 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
14791 |
52.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.139 |
32 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
15023 |
51.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.139 |
33 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
14853 |
50.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
51.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.139 |
| 24 |
34 |
|
[EDO]A:403 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14911 |
50.9 |
1.2 |
0.752 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[CL]D:406 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
15023 |
38.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.047 |
36 |
|
[CL]D:406 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14911 |
38.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
38.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.047 |
| 26 |
37 |
|
D |
3 |
2 |
15023 |
f |
[EDO]A:404 |
-x+1,y-1/2,-z-2 |
2_643 |
4 |
1 |
186 |
36.2 |
0.9 |
0.762 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
D |
4 |
3 |
15023 |
◊ |
A |
-x+1,y-1/2,-z-1 |
2_644 |
5 |
2 |
14911 |
34.7 |
0.4 |
0.700 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[CL]B:405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14911 |
33.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
40 |
|
[CL]A:409 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14791 |
32.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
33.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.088 |
| 29 |
41 |
|
[PEP]A:407 |
5 |
1 |
285 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.032 |
42 |
|
[PEP]D:404 |
5 |
1 |
286 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.032 |
43 |
|
[PEP]B:403 |
5 |
1 |
287 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
23.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| 30 |
44 |
|
[PEP]C:402 |
5 |
1 |
287 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
22.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 31 |
45 |
|
[CL]D:406 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14853 |
21.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
46 |
|
[CL]D:406 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14791 |
18.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
20.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 32 |
47 |
|
D |
2 |
1 |
15023 |
◊ |
[EDO]A:403 |
-x+1,y-1/2,-z-2 |
2_643 |
2 |
1 |
185 |
11.3 |
0.3 |
0.652 |
0 |
0 |
0 |
0.000 |
| 33 |
48 |
|
[EDO]D:402 |
1 |
1 |
186 |
f |
[EDO]A:403 |
-x+1,y-1/2,-z-2 |
2_643 |
1 |
1 |
185 |
0.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|