## |
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 |
|
C |
46 |
7 |
998 |
◊ |
A |
x,y,z |
1_555 |
93 |
33 |
9491 |
643.9 |
-9.8 |
0.297 |
8 |
1 |
0 |
0.250 |
2 |
|
D |
47 |
7 |
1026 |
◊ |
B |
x,y,z |
1_555 |
94 |
32 |
9338 |
637.2 |
-9.0 |
0.317 |
8 |
2 |
0 |
0.250 |
Average: |
640.6 |
-9.4 |
0.307 |
8 |
2 |
0 |
0.250 |
2 |
3 |
|
B |
29 |
6 |
9338 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
9491 |
265.0 |
-0.3 |
0.525 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
29 |
10 |
9338 |
x |
B |
x,y-1,z |
1_545 |
28 |
11 |
9338 |
259.1 |
0.9 |
0.641 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
27 |
8 |
9338 |
x |
B |
x-1,y,z |
1_455 |
33 |
11 |
9338 |
258.1 |
-2.5 |
0.240 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
30 |
11 |
9491 |
x |
A |
x,y-1,z |
1_545 |
27 |
10 |
9491 |
253.9 |
-0.4 |
0.501 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
26 |
8 |
9491 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
11 |
9338 |
250.6 |
-1.4 |
0.374 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
12 |
3 |
9491 |
x |
A |
x-1,y,z |
1_455 |
14 |
4 |
9491 |
124.6 |
-1.4 |
0.222 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
998 |
66.6 |
-1.1 |
0.791 |
0 |
0 |
0 |
0.116 |
9 |
10 |
|
[ACE]D:0 |
3 |
1 |
173 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1026 |
60.7 |
-0.2 |
0.871 |
0 |
0 |
0 |
0.234 |
10 |
11 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9491 |
51.9 |
-0.4 |
0.748 |
0 |
0 |
0 |
0.007 |
11 |
12 |
|
[NH2]C:8 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
9491 |
48.6 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
13 |
|
[NH2]D:8 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
9338 |
39.7 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
44.1 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
5 |
2 |
998 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
9491 |
46.6 |
-0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[NH2]C:8 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
998 |
46.5 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
16 |
|
[NH2]D:8 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
1026 |
36.8 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
Average: |
41.7 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
A |
6 |
2 |
9491 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
1026 |
46.4 |
-0.9 |
0.359 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[ACE]D:0 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9338 |
43.3 |
-0.5 |
0.700 |
0 |
0 |
0 |
0.009 |
16 |
19 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
9491 |
38.9 |
-1.0 |
0.501 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[ZN]B:1221 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9338 |
36.6 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.465 |
21 |
|
[ZN]A:1221 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9491 |
36.0 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.465 |
Average: |
36.3 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.465 |
18 |
22 |
|
[ZN]A:1221 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
998 |
32.4 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.280 |
23 |
|
[ZN]B:1221 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
1026 |
32.3 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.280 |
Average: |
32.4 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.280 |
19 |
24 |
|
A |
5 |
2 |
9491 |
◊ |
[NH2]D:8 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
28.1 |
0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
3 |
2 |
9338 |
◊ |
[ACE]D:0 |
x-1,y,z |
1_455 |
3 |
1 |
173 |
27.2 |
0.3 |
0.881 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
C |
4 |
1 |
998 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9338 |
18.6 |
0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
1 |
1 |
9338 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
1026 |
4.8 |
0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[NH2]C:8 |
1 |
1 |
117 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9338 |
2.3 |
0.1 |
0.845 |
0 |
0 |
0 |
0.000 |
|