## |
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 |
144 |
37 |
15106 |
◊ |
A |
x,y,z |
1_555 |
149 |
38 |
15081 |
1325.1 |
-21.0 |
0.015 |
10 |
0 |
0 |
0.168 |
2 |
2 |
|
[NAP]B:600 |
47 |
1 |
922 |
f |
B |
x,y,z |
1_555 |
68 |
35 |
15106 |
610.4 |
-5.5 |
0.349 |
20 |
0 |
0 |
0.198 |
3 |
|
[NAP]A:500 |
47 |
1 |
919 |
f |
A |
x,y,z |
1_555 |
67 |
35 |
15081 |
606.7 |
-6.3 |
0.273 |
21 |
0 |
0 |
0.198 |
Average: |
608.6 |
-5.9 |
0.311 |
21 |
0 |
0 |
0.198 |
3 |
4 |
|
A |
33 |
9 |
15081 |
◊ |
A |
-x+1,-y+2,z |
2_675 |
33 |
9 |
15081 |
261.2 |
2.1 |
0.850 |
5 |
6 |
0 |
0.000 |
4 |
5 |
|
B |
25 |
9 |
15106 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
11 |
15081 |
230.2 |
1.8 |
0.826 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
25 |
8 |
15106 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
26 |
11 |
15081 |
225.7 |
-0.4 |
0.627 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
A |
16 |
7 |
15081 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
20 |
8 |
15106 |
153.7 |
0.5 |
0.722 |
0 |
1 |
0 |
0.000 |
7 |
8 |
|
B |
13 |
6 |
15106 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
20 |
8 |
15106 |
147.2 |
0.9 |
0.758 |
1 |
4 |
0 |
0.000 |
8 |
9 |
|
[DTT]B:800 |
7 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
15106 |
139.0 |
-2.8 |
0.364 |
1 |
0 |
0 |
0.040 |
10 |
|
[DTT]A:700 |
8 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
15081 |
138.2 |
-2.4 |
0.367 |
1 |
0 |
0 |
0.040 |
Average: |
138.6 |
-2.6 |
0.365 |
1 |
0 |
0 |
0.040 |
9 |
11 |
|
B |
13 |
6 |
15106 |
◊ |
A |
-x+3/2,y-1/2,-z |
3_645 |
12 |
3 |
15081 |
131.7 |
1.9 |
0.876 |
2 |
2 |
0 |
0.000 |
10 |
12 |
|
A |
12 |
5 |
15081 |
◊ |
A |
-x+2,-y+2,z |
2_775 |
12 |
5 |
15081 |
95.6 |
1.2 |
0.815 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
12 |
4 |
15106 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
3 |
15081 |
87.6 |
0.1 |
0.643 |
1 |
1 |
0 |
0.000 |
12 |
14 |
|
[GOL]B:900 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
15106 |
79.5 |
-0.1 |
0.505 |
3 |
0 |
0 |
0.009 |
13 |
15 |
|
[DTT]B:800 |
7 |
1 |
293 |
f |
[NAP]B:600 |
x,y,z |
1_555 |
10 |
1 |
922 |
67.8 |
-1.9 |
0.457 |
2 |
0 |
0 |
0.035 |
16 |
|
[DTT]A:700 |
7 |
1 |
291 |
f |
[NAP]A:500 |
x,y,z |
1_555 |
10 |
1 |
919 |
67.0 |
-1.6 |
0.463 |
2 |
0 |
0 |
0.035 |
Average: |
67.4 |
-1.7 |
0.460 |
2 |
0 |
0 |
0.035 |
14 |
17 |
|
[DTT]B:800 |
2 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15081 |
48.4 |
-1.9 |
0.198 |
0 |
0 |
0 |
0.024 |
18 |
|
[DTT]A:700 |
2 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15106 |
46.9 |
-1.8 |
0.241 |
0 |
0 |
0 |
0.024 |
Average: |
47.7 |
-1.9 |
0.220 |
0 |
0 |
0 |
0.024 |
15 |
19 |
|
[GOL]B:900 |
4 |
1 |
223 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15081 |
38.1 |
-0.6 |
0.329 |
0 |
0 |
0 |
0.004 |
16 |
20 |
|
B |
6 |
3 |
15106 |
x |
B |
x,y,z-1 |
1_554 |
5 |
2 |
15106 |
32.9 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
3 |
1 |
15081 |
x |
A |
x,y,z-1 |
1_554 |
4 |
1 |
15081 |
20.7 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
Average: |
26.8 |
0.3 |
0.717 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[ZN]B:4000 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
15106 |
32.8 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.336 |
23 |
|
[ZN]A:1000 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
15081 |
32.7 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.336 |
Average: |
32.7 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.336 |
18 |
24 |
|
[NAP]B:600 |
4 |
1 |
922 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15081 |
32.7 |
-0.0 |
0.312 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAP]A:500 |
4 |
1 |
919 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15106 |
31.5 |
0.0 |
0.335 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
-0.0 |
0.323 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[NAP]B:600 |
3 |
1 |
922 |
f |
[ZN]B:4000 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.107 |
27 |
|
[NAP]A:500 |
3 |
1 |
919 |
f |
[ZN]A:1000 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
21.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.107 |
20 |
28 |
|
[DTT]A:700 |
3 |
1 |
291 |
f |
[ZN]A:1000 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.080 |
29 |
|
[DTT]B:800 |
3 |
1 |
293 |
f |
[ZN]B:4000 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
15.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.080 |
21 |
30 |
|
B |
1 |
1 |
15106 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
2 |
2 |
15081 |
11.6 |
-0.3 |
0.302 |
0 |
0 |
0 |
0.000 |
|