## |
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 |
51 |
14 |
6774 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
7352 |
403.0 |
-2.9 |
0.474 |
3 |
5 |
0 |
0.003 |
2 |
2 |
|
A |
42 |
9 |
7352 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
42 |
9 |
7352 |
361.3 |
-1.6 |
0.635 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
40 |
8 |
6774 |
◊ |
B |
-x,y,-z |
2_555 |
39 |
8 |
6774 |
338.8 |
-2.9 |
0.529 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
24 |
5 |
6774 |
◊ |
A |
x,y-1,z |
1_545 |
42 |
12 |
7352 |
288.6 |
-0.6 |
0.670 |
3 |
3 |
0 |
0.000 |
5 |
5 |
|
[3PF]A:1198 |
12 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
7352 |
230.9 |
-4.3 |
0.564 |
2 |
0 |
0 |
0.007 |
6 |
|
[3PF]B:1198 |
12 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
6774 |
223.5 |
-4.7 |
0.465 |
2 |
0 |
0 |
0.007 |
Average: |
227.2 |
-4.5 |
0.514 |
2 |
0 |
0 |
0.007 |
6 |
7 |
|
B |
16 |
6 |
6774 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
15 |
5 |
7352 |
138.2 |
3.3 |
0.945 |
5 |
5 |
0 |
0.000 |
7 |
8 |
|
A |
12 |
5 |
7352 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
5 |
7352 |
135.8 |
1.7 |
0.835 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
18 |
5 |
7352 |
x |
A |
x,y-1,z |
1_545 |
9 |
2 |
7352 |
126.7 |
-3.3 |
0.071 |
2 |
2 |
0 |
0.000 |
9 |
10 |
|
B |
11 |
3 |
6774 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
3 |
7352 |
118.1 |
0.6 |
0.726 |
2 |
4 |
0 |
0.000 |
10 |
11 |
|
[K]A:2 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7352 |
108.3 |
-76.3 |
0.000 |
0 |
0 |
0 |
0.097 |
12 |
|
[K]B:1 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
6774 |
104.4 |
-75.0 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
106.3 |
-75.7 |
0.000 |
0 |
0 |
0 |
0.097 |
11 |
13 |
|
[EDO]B:5 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
6774 |
100.0 |
2.9 |
0.496 |
6 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]A:3 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
7352 |
91.8 |
3.1 |
0.317 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]A:1 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
7352 |
91.8 |
3.3 |
0.525 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
B |
11 |
5 |
6774 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
13 |
5 |
6774 |
89.2 |
-0.6 |
0.554 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:7 |
4 |
1 |
185 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
6 |
7352 |
88.6 |
2.2 |
0.464 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]B:4 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6774 |
77.9 |
2.1 |
0.271 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]B:2 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7352 |
73.4 |
1.1 |
0.657 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:8 |
4 |
1 |
185 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
3 |
7352 |
70.5 |
2.1 |
0.276 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]B:2 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6774 |
67.4 |
2.2 |
0.550 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:6 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
6774 |
64.0 |
1.3 |
0.192 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:8 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
6774 |
55.0 |
2.0 |
0.944 |
1 |
0 |
0 |
0.000 |
22 |
24 |
|
[K]B:1 |
1 |
1 |
216 |
f |
[EDO]A:6 |
x,y,z |
1_555 |
3 |
1 |
181 |
49.3 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.023 |
23 |
25 |
|
[EDO]A:6 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7352 |
49.0 |
1.4 |
0.803 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]B:7 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
6774 |
38.4 |
1.0 |
0.918 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]A:1 |
3 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
7352 |
34.7 |
0.7 |
0.800 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[EDO]B:8 |
2 |
1 |
185 |
f |
[EDO]B:7 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.3 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
B |
3 |
1 |
6774 |
◊ |
A |
-x+1/2,y-3/2,-z+1 |
4_536 |
1 |
1 |
7352 |
23.5 |
-0.3 |
0.271 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]B:5 |
2 |
1 |
185 |
f |
[EDO]B:4 |
x,y,z |
1_555 |
2 |
1 |
181 |
21.9 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
B |
4 |
2 |
6774 |
f |
[EDO]A:1 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
184 |
21.7 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[K]B:1 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7352 |
16.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.005 |
31 |
33 |
|
B |
4 |
1 |
6774 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
2 |
2 |
7352 |
9.7 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:1 |
1 |
1 |
184 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
7352 |
8.2 |
0.4 |
0.900 |
0 |
0 |
0 |
0.000 |
|