| ## |
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 |
84 |
21 |
3876 |
◊ |
B |
x,y,z |
1_555 |
68 |
18 |
3642 |
680.9 |
-10.2 |
0.530 |
12 |
2 |
0 |
0.386 |
2 |
|
B |
82 |
19 |
3642 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
3076 |
671.1 |
-10.1 |
0.399 |
13 |
3 |
0 |
0.386 |
3 |
|
C |
45 |
12 |
3876 |
◊ |
A |
x,y,z |
1_555 |
50 |
12 |
3076 |
472.5 |
-7.9 |
0.332 |
10 |
2 |
0 |
0.386 |
| Average: |
608.2 |
-9.4 |
0.420 |
12 |
2 |
0 |
0.386 |
| 2 |
4 |
|
C |
22 |
6 |
3876 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
6 |
3076 |
189.0 |
-0.4 |
0.773 |
2 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[BU1]B:101 |
6 |
1 |
242 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
3876 |
130.8 |
1.2 |
0.510 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[BU1]A:103 |
6 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
3642 |
129.8 |
1.7 |
0.520 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
11 |
4 |
3876 |
◊ |
B |
x-1,y,z-1 |
1_454 |
15 |
4 |
3642 |
105.8 |
1.0 |
0.869 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
17 |
5 |
3876 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
3642 |
98.7 |
-0.6 |
0.715 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
10 |
3 |
3876 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
3642 |
79.8 |
1.1 |
0.875 |
0 |
2 |
0 |
0.000 |
| 8 |
10 |
|
[BU1]B:101 |
6 |
1 |
242 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
3642 |
72.2 |
1.4 |
0.511 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
5 |
3 |
3876 |
◊ |
A |
x-1,y,z-1 |
1_454 |
6 |
1 |
3076 |
68.7 |
-0.1 |
0.650 |
0 |
3 |
0 |
0.008 |
| 10 |
12 |
|
[BU1]A:103 |
6 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
3076 |
66.3 |
-0.9 |
0.291 |
1 |
0 |
0 |
0.029 |
| 11 |
13 |
|
[ACT]A:105 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
3076 |
60.2 |
-0.1 |
0.742 |
1 |
0 |
0 |
0.011 |
| 12 |
14 |
|
[ACT]C:103 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
3876 |
56.7 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[ACT]A:102 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
3076 |
47.0 |
0.7 |
0.810 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[ACT]C:102 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
3876 |
46.5 |
0.8 |
0.840 |
1 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[ZN]A:104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
3076 |
39.2 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.371 |
| 16 |
18 |
|
[ZN]C:104 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
3642 |
36.3 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.471 |
19 |
|
C |
6 |
3 |
3876 |
f |
[ZN]A:106 |
x-1,y,z-1 |
1_454 |
1 |
1 |
98 |
32.3 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.471 |
| Average: |
34.3 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.471 |
| 17 |
20 |
|
[ZN]A:104 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
3076 |
35.0 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[ZN]C:104 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3876 |
34.8 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| 19 |
22 |
|
[ACT]A:105 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
3876 |
34.7 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[ACT]C:103 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
3642 |
34.2 |
0.4 |
0.821 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[ZN]A:106 |
1 |
1 |
98 |
c |
B |
x,y,z |
1_555 |
8 |
3 |
3642 |
32.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.315 |
25 |
|
[ZN]A:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
3076 |
30.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.315 |
26 |
|
[ZN]C:101 |
1 |
1 |
98 |
c |
C |
x,y,z |
1_555 |
10 |
3 |
3876 |
30.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.315 |
| Average: |
31.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.315 |
| 22 |
27 |
|
A |
4 |
1 |
3076 |
x |
A |
x-1,y,z |
1_455 |
6 |
2 |
3076 |
32.6 |
0.6 |
0.811 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[ACT]A:102 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3876 |
32.6 |
0.6 |
0.877 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[ACT]C:102 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3642 |
32.6 |
0.5 |
0.857 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[ACT]C:103 |
3 |
1 |
183 |
f |
[ACT]C:102 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.1 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[ACT]A:105 |
3 |
1 |
183 |
f |
[ACT]A:102 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.7 |
0.5 |
0.718 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[ACT]A:105 |
3 |
1 |
183 |
cf |
[ZN]A:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.370 |
33 |
|
[ACT]C:103 |
3 |
1 |
183 |
cf |
[ZN]C:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.370 |
34 |
|
[ACT]A:102 |
3 |
1 |
184 |
f |
[ZN]A:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.370 |
35 |
|
[ACT]C:102 |
3 |
1 |
183 |
f |
[ZN]C:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.370 |
| Average: |
26.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.370 |
| 28 |
36 |
|
[ZN]A:106 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
3076 |
25.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.256 |
37 |
|
[ZN]C:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3642 |
24.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.256 |
38 |
|
[ZN]A:101 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3876 |
24.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.256 |
| Average: |
25.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.256 |
| 29 |
39 |
|
A |
3 |
1 |
3076 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
3642 |
19.5 |
0.8 |
0.870 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
A |
1 |
1 |
3076 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
3642 |
8.9 |
-0.3 |
0.332 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[BU1]B:101 |
1 |
1 |
242 |
f |
[ZN]C:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.047 |
| 32 |
42 |
|
[ZN]A:104 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
3642 |
1.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|