| ## |
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 |
237 |
67 |
16394 |
◊ |
A |
x,y,z |
1_555 |
234 |
64 |
16215 |
2321.1 |
-34.8 |
0.007 |
28 |
1 |
0 |
1.000 |
| 2 |
2 |
|
A |
48 |
15 |
16215 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
13 |
16215 |
397.6 |
3.6 |
0.812 |
3 |
3 |
0 |
0.000 |
| 3 |
3 |
|
A |
40 |
13 |
16215 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
31 |
9 |
16394 |
332.5 |
0.0 |
0.674 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[4VR]A:402 |
22 |
1 |
538 |
f |
A |
x,y,z |
1_555 |
42 |
18 |
16215 |
327.3 |
1.1 |
0.230 |
1 |
0 |
0 |
0.000 |
5 |
|
[4VR]B:402 |
22 |
1 |
533 |
f |
B |
x,y,z |
1_555 |
45 |
20 |
16394 |
321.7 |
1.6 |
0.258 |
1 |
0 |
0 |
0.000 |
| Average: |
324.5 |
1.4 |
0.244 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[PLP]B:401 |
15 |
1 |
390 |
cf |
B |
x,y,z |
1_555 |
37 |
19 |
16394 |
252.2 |
2.3 |
0.700 |
8 |
0 |
0 |
0.127 |
7 |
|
[PLP]A:401 |
15 |
1 |
385 |
cf |
A |
x,y,z |
1_555 |
38 |
19 |
16215 |
246.5 |
2.3 |
0.663 |
6 |
0 |
0 |
0.127 |
| Average: |
249.4 |
2.3 |
0.681 |
7 |
0 |
0 |
0.127 |
| 6 |
8 |
|
A |
22 |
8 |
16215 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
5 |
16394 |
185.7 |
-3.5 |
0.213 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
14 |
5 |
16394 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
16215 |
140.0 |
0.4 |
0.700 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
12 |
5 |
16215 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
8 |
16394 |
121.9 |
-0.4 |
0.572 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:406 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
16215 |
117.1 |
3.4 |
0.471 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
16394 |
112.5 |
3.8 |
0.492 |
3 |
0 |
0 |
0.000 |
| Average: |
114.8 |
3.6 |
0.481 |
3 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]B:404 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16394 |
113.9 |
3.6 |
0.526 |
4 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]A:404 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
16215 |
112.1 |
2.7 |
0.385 |
5 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]A:407 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16215 |
109.2 |
3.3 |
0.499 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:406 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
16394 |
106.4 |
3.2 |
0.478 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]B:407 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
16394 |
105.7 |
3.0 |
0.481 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]A:411 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16215 |
100.0 |
3.0 |
0.479 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]A:409 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
16394 |
93.2 |
2.6 |
0.458 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]B:403 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
16394 |
93.2 |
0.9 |
0.144 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16215 |
81.6 |
0.6 |
0.087 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[4VR]B:402 |
6 |
1 |
533 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16215 |
74.0 |
1.7 |
0.556 |
1 |
0 |
0 |
0.000 |
23 |
|
[4VR]A:402 |
6 |
1 |
538 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
16394 |
73.1 |
1.7 |
0.573 |
1 |
0 |
0 |
0.000 |
| Average: |
73.5 |
1.7 |
0.565 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]A:409 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16215 |
69.2 |
1.5 |
0.854 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]A:405 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16215 |
63.4 |
2.1 |
0.295 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]A:410 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16215 |
58.6 |
0.7 |
0.644 |
1 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[EDO]A:410 |
3 |
1 |
182 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
3 |
16394 |
58.5 |
1.8 |
0.247 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[EDO]A:408 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
2 |
16215 |
56.8 |
0.7 |
0.698 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
[4VR]A:402 |
x,y,z |
1_555 |
13 |
1 |
538 |
49.6 |
1.4 |
0.259 |
1 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[EDO]B:403 |
4 |
1 |
182 |
◊ |
[4VR]B:402 |
x,y,z |
1_555 |
12 |
1 |
533 |
49.2 |
2.2 |
0.277 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[EDO]A:411 |
3 |
1 |
182 |
f |
[EDO]A:405 |
x,y,z |
1_555 |
4 |
1 |
183 |
37.3 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
3 |
2 |
16394 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
16394 |
32.0 |
0.7 |
0.493 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[4VR]A:402 |
2 |
1 |
538 |
f |
[PLP]A:401 |
x,y,z |
1_555 |
3 |
1 |
385 |
27.8 |
1.6 |
0.660 |
0 |
0 |
0 |
0.000 |
34 |
|
[4VR]B:402 |
2 |
1 |
533 |
f |
[PLP]B:401 |
x,y,z |
1_555 |
3 |
1 |
390 |
23.6 |
1.3 |
0.642 |
0 |
0 |
0 |
0.000 |
| Average: |
25.7 |
1.5 |
0.651 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
B |
7 |
2 |
16394 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
16394 |
24.9 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[EDO]B:403 |
1 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16215 |
11.6 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[EDO]A:410 |
1 |
1 |
182 |
f |
[EDO]A:405 |
x,y,z |
1_555 |
1 |
1 |
183 |
10.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[EDO]A:403 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16394 |
3.8 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
|