| ## |
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 |
153 |
42 |
12461 |
◊ |
B |
x,y,z |
1_555 |
150 |
42 |
12487 |
1456.2 |
-26.0 |
0.002 |
14 |
0 |
0 |
1.000 |
2 |
|
C |
147 |
41 |
12374 |
◊ |
A |
x,y,z |
1_555 |
146 |
41 |
12560 |
1429.4 |
-25.2 |
0.003 |
14 |
0 |
0 |
1.000 |
| Average: |
1442.8 |
-25.6 |
0.003 |
14 |
0 |
0 |
1.000 |
| 2 |
3 |
|
D |
101 |
27 |
12461 |
◊ |
A |
x,y,z |
1_555 |
101 |
26 |
12560 |
990.7 |
-5.5 |
0.383 |
13 |
7 |
0 |
0.241 |
4 |
|
C |
96 |
26 |
12374 |
◊ |
B |
x,y,z |
1_555 |
98 |
25 |
12487 |
957.5 |
-5.2 |
0.391 |
13 |
6 |
0 |
0.241 |
| Average: |
974.1 |
-5.3 |
0.387 |
13 |
7 |
0 |
0.241 |
| 3 |
5 |
|
D |
37 |
10 |
12461 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
8 |
12560 |
334.9 |
2.5 |
0.827 |
6 |
8 |
0 |
0.000 |
| 4 |
6 |
|
D |
41 |
11 |
12461 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
34 |
12 |
12374 |
325.5 |
-2.2 |
0.406 |
4 |
3 |
0 |
0.000 |
| 5 |
7 |
|
B |
40 |
8 |
12487 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
8 |
12487 |
310.7 |
0.1 |
0.566 |
4 |
5 |
0 |
0.000 |
| 6 |
8 |
|
A |
35 |
9 |
12560 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
12 |
12487 |
307.8 |
-1.1 |
0.534 |
5 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[3VN]A:301 |
20 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
37 |
13 |
12560 |
263.4 |
-2.9 |
0.751 |
8 |
0 |
0 |
0.137 |
| 8 |
10 |
|
[3VN]D:305 |
19 |
1 |
553 |
f |
D |
x,y,z |
1_555 |
37 |
15 |
12461 |
258.2 |
-2.9 |
0.734 |
7 |
0 |
0 |
0.206 |
| 9 |
11 |
|
[3VN]A:304 |
15 |
1 |
545 |
f |
C |
x,y,z |
1_555 |
34 |
14 |
12374 |
226.9 |
-3.1 |
0.632 |
6 |
0 |
0 |
0.208 |
12 |
|
[3VN]B:305 |
15 |
1 |
544 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
12461 |
225.8 |
-3.0 |
0.641 |
7 |
0 |
0 |
0.208 |
| Average: |
226.4 |
-3.0 |
0.637 |
7 |
0 |
0 |
0.208 |
| 10 |
13 |
|
[3VN]B:305 |
15 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
34 |
14 |
12487 |
225.2 |
-1.3 |
0.782 |
6 |
0 |
0 |
0.136 |
14 |
|
[3VN]A:304 |
15 |
1 |
545 |
◊ |
A |
x,y,z |
1_555 |
34 |
14 |
12560 |
222.5 |
-1.2 |
0.783 |
6 |
0 |
0 |
0.136 |
| Average: |
223.8 |
-1.3 |
0.783 |
6 |
0 |
0 |
0.136 |
| 11 |
15 |
|
[PGE]A:302 |
10 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
12560 |
189.0 |
5.9 |
0.359 |
3 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[PGE]D:301 |
10 |
1 |
333 |
f |
D |
x,y,z |
1_555 |
27 |
8 |
12461 |
186.7 |
5.8 |
0.351 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[PGE]B:301 |
10 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
12487 |
180.6 |
6.1 |
0.389 |
2 |
0 |
0 |
0.000 |
| 14 |
18 |
|
B |
20 |
6 |
12487 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
7 |
12374 |
160.1 |
-0.9 |
0.497 |
1 |
1 |
0 |
0.000 |
| 15 |
19 |
|
D |
21 |
8 |
12461 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
5 |
12374 |
159.4 |
1.6 |
0.785 |
3 |
2 |
0 |
0.000 |
| 16 |
20 |
|
[3VN]A:301 |
14 |
1 |
560 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
7 |
12487 |
145.0 |
-0.1 |
0.862 |
3 |
0 |
0 |
0.000 |
| 17 |
21 |
|
A |
16 |
5 |
12560 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
12560 |
108.2 |
0.7 |
0.709 |
1 |
2 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]D:303 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
12461 |
97.5 |
1.9 |
0.355 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]C:302 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
12374 |
92.1 |
2.4 |
0.265 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
12461 |
91.3 |
2.4 |
0.432 |
2 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12487 |
89.3 |
2.3 |
0.265 |
2 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]D:304 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
4 |
12461 |
83.8 |
1.2 |
0.620 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
D |
11 |
4 |
12461 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
6 |
12560 |
82.2 |
2.2 |
0.877 |
1 |
1 |
0 |
0.000 |
| 24 |
28 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
12487 |
81.6 |
1.9 |
0.215 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[GOL]C:303 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12560 |
81.1 |
-0.5 |
0.506 |
2 |
0 |
0 |
0.031 |
| 26 |
30 |
|
[EDO]A:303 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12560 |
76.7 |
1.3 |
0.201 |
1 |
0 |
0 |
0.000 |
| 27 |
31 |
|
B |
11 |
4 |
12487 |
◊ |
[EDO]C:301 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
76.5 |
2.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
D |
9 |
3 |
12461 |
f |
[PGE]A:302 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
335 |
71.0 |
1.5 |
0.170 |
2 |
0 |
0 |
0.000 |
| 29 |
33 |
|
C |
6 |
3 |
12374 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
12487 |
70.0 |
1.5 |
0.845 |
1 |
1 |
0 |
0.000 |
| 30 |
34 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12487 |
69.6 |
1.9 |
0.839 |
1 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[GOL]C:303 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
12374 |
68.0 |
-0.8 |
0.365 |
1 |
0 |
0 |
0.027 |
| 32 |
36 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12374 |
47.9 |
1.1 |
0.762 |
1 |
0 |
0 |
0.000 |
| 33 |
37 |
|
D |
3 |
1 |
12461 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
12487 |
46.8 |
1.4 |
0.880 |
1 |
1 |
0 |
0.000 |
| 34 |
38 |
|
A |
7 |
5 |
12560 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
12487 |
45.8 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
B |
4 |
2 |
12487 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
12374 |
42.4 |
0.6 |
0.559 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
A |
2 |
1 |
12560 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
12374 |
33.7 |
1.4 |
0.823 |
1 |
0 |
0 |
0.000 |
| 37 |
41 |
|
D |
3 |
2 |
12461 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
12560 |
20.6 |
1.3 |
0.922 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[3VN]D:305 |
1 |
1 |
553 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
12560 |
9.8 |
0.2 |
0.769 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
A |
1 |
1 |
12560 |
◊ |
[EDO]B:303 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
184 |
8.5 |
0.5 |
0.962 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[3VN]A:301 |
1 |
1 |
560 |
◊ |
[EDO]B:303 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
184 |
2.1 |
-0.0 |
0.837 |
0 |
0 |
0 |
0.000 |
|