| ## |
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 |
|
E |
203 |
54 |
15138 |
◊ |
A |
x,y,z |
1_555 |
205 |
55 |
15252 |
1931.5 |
-25.9 |
0.040 |
20 |
16 |
0 |
0.523 |
2 |
|
C |
205 |
54 |
15173 |
◊ |
B |
x,y,z |
1_555 |
206 |
55 |
15230 |
1931.1 |
-26.0 |
0.041 |
20 |
16 |
0 |
0.523 |
3 |
|
O |
203 |
55 |
15068 |
◊ |
F |
x,y,z |
1_555 |
205 |
52 |
15147 |
1930.5 |
-26.5 |
0.036 |
20 |
18 |
0 |
0.523 |
4 |
|
G |
207 |
55 |
15253 |
◊ |
D |
x,y,z |
1_555 |
200 |
53 |
15108 |
1930.3 |
-25.9 |
0.040 |
20 |
19 |
0 |
0.523 |
| Average: |
1930.8 |
-26.1 |
0.039 |
20 |
17 |
0 |
0.523 |
| 2 |
5 |
|
O |
147 |
38 |
15068 |
◊ |
C |
x,y,z |
1_555 |
148 |
38 |
15173 |
1365.2 |
-18.2 |
0.084 |
10 |
2 |
0 |
0.366 |
6 |
|
E |
150 |
38 |
15138 |
◊ |
D |
x,y,z |
1_555 |
148 |
38 |
15108 |
1357.6 |
-16.9 |
0.117 |
10 |
2 |
0 |
0.366 |
7 |
|
G |
148 |
38 |
15253 |
◊ |
A |
x,y,z |
1_555 |
145 |
38 |
15252 |
1352.6 |
-16.6 |
0.106 |
9 |
1 |
0 |
0.366 |
8 |
|
F |
147 |
38 |
15147 |
◊ |
B |
x,y,z |
1_555 |
144 |
37 |
15230 |
1340.0 |
-15.2 |
0.143 |
9 |
0 |
0 |
0.366 |
| Average: |
1353.8 |
-16.7 |
0.112 |
10 |
1 |
0 |
0.366 |
| 3 |
9 |
|
[NAD]E:401 |
40 |
1 |
837 |
f |
E |
x,y,z |
1_555 |
76 |
31 |
15138 |
551.0 |
-7.8 |
0.301 |
3 |
0 |
0 |
0.229 |
10 |
|
[NAD]C:401 |
40 |
1 |
832 |
f |
C |
x,y,z |
1_555 |
76 |
32 |
15173 |
548.3 |
-7.7 |
0.303 |
3 |
0 |
0 |
0.229 |
11 |
|
[NAD]B:401 |
40 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
73 |
30 |
15230 |
545.3 |
-7.4 |
0.291 |
4 |
0 |
0 |
0.229 |
12 |
|
[NAD]A:401 |
39 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
73 |
30 |
15252 |
544.5 |
-7.3 |
0.292 |
4 |
0 |
0 |
0.229 |
13 |
|
[NAD]O:401 |
41 |
1 |
828 |
f |
O |
x,y,z |
1_555 |
73 |
31 |
15068 |
542.9 |
-7.7 |
0.306 |
4 |
0 |
0 |
0.229 |
14 |
|
[NAD]D:401 |
41 |
1 |
832 |
f |
D |
x,y,z |
1_555 |
74 |
32 |
15108 |
542.2 |
-7.6 |
0.320 |
4 |
0 |
0 |
0.229 |
| Average: |
545.7 |
-7.6 |
0.302 |
4 |
0 |
0 |
0.229 |
| 4 |
15 |
|
A |
48 |
16 |
15252 |
◊ |
D |
x,y-1,z |
1_545 |
54 |
18 |
15108 |
465.7 |
-1.4 |
0.590 |
1 |
0 |
0 |
0.000 |
16 |
|
O |
51 |
17 |
15068 |
◊ |
B |
x,y-1,z |
1_545 |
51 |
17 |
15230 |
463.2 |
-0.5 |
0.660 |
0 |
0 |
0 |
0.000 |
| Average: |
464.4 |
-0.9 |
0.625 |
1 |
0 |
0 |
0.000 |
| 5 |
17 |
|
A |
48 |
13 |
15252 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
44 |
11 |
15173 |
431.5 |
2.0 |
0.796 |
1 |
1 |
0 |
0.015 |
18 |
|
E |
45 |
11 |
15138 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
51 |
13 |
15230 |
421.7 |
1.3 |
0.773 |
5 |
2 |
0 |
0.015 |
| Average: |
426.6 |
1.6 |
0.784 |
3 |
2 |
0 |
0.015 |
| 6 |
19 |
|
G |
46 |
13 |
15253 |
◊ |
E |
x,y,z |
1_555 |
49 |
14 |
15138 |
377.7 |
-2.8 |
0.460 |
2 |
0 |
0 |
0.030 |
20 |
|
F |
46 |
12 |
15147 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
15173 |
367.3 |
-2.4 |
0.494 |
2 |
0 |
0 |
0.030 |
21 |
|
O |
49 |
12 |
15068 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
15230 |
364.1 |
-2.5 |
0.472 |
2 |
0 |
0 |
0.030 |
22 |
|
D |
47 |
12 |
15108 |
◊ |
A |
x,y,z |
1_555 |
47 |
12 |
15252 |
362.3 |
-2.5 |
0.471 |
2 |
0 |
0 |
0.030 |
| Average: |
367.8 |
-2.6 |
0.474 |
2 |
0 |
0 |
0.030 |
| 7 |
23 |
|
C |
22 |
8 |
15173 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
20 |
8 |
15147 |
195.4 |
2.9 |
0.885 |
2 |
1 |
0 |
0.000 |
24 |
|
G |
18 |
7 |
15253 |
◊ |
E |
-x-1,y-1/2,-z-2 |
2_443 |
20 |
7 |
15138 |
174.1 |
2.3 |
0.862 |
0 |
1 |
0 |
0.000 |
| Average: |
184.8 |
2.6 |
0.873 |
1 |
1 |
0 |
0.000 |
| 8 |
25 |
|
O |
18 |
5 |
15068 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
15138 |
175.8 |
-2.3 |
0.312 |
1 |
3 |
0 |
0.039 |
26 |
|
D |
17 |
5 |
15108 |
◊ |
C |
x,y,z-1 |
1_554 |
18 |
6 |
15173 |
169.9 |
-2.5 |
0.283 |
1 |
3 |
0 |
0.039 |
| Average: |
172.9 |
-2.4 |
0.297 |
1 |
3 |
0 |
0.039 |
| 9 |
27 |
|
O |
12 |
7 |
15068 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
5 |
15230 |
92.1 |
1.3 |
0.814 |
0 |
2 |
0 |
0.000 |
28 |
|
A |
10 |
6 |
15252 |
◊ |
D |
-x,y-1/2,-z-2 |
2_543 |
15 |
8 |
15108 |
91.9 |
1.5 |
0.823 |
0 |
2 |
0 |
0.000 |
| Average: |
92.0 |
1.4 |
0.818 |
0 |
2 |
0 |
0.000 |
| 10 |
29 |
|
[ACT]C:404 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
15173 |
82.1 |
-0.3 |
0.622 |
0 |
0 |
0 |
0.004 |
| 11 |
30 |
|
[ACT]O:403 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
15138 |
79.6 |
-0.3 |
0.610 |
0 |
0 |
0 |
0.003 |
| 12 |
31 |
|
A |
7 |
2 |
15252 |
◊ |
F |
x,y-1,z |
1_545 |
9 |
2 |
15147 |
71.3 |
0.8 |
0.779 |
0 |
0 |
0 |
0.000 |
32 |
|
G |
8 |
2 |
15253 |
◊ |
B |
x,y-1,z-1 |
1_544 |
5 |
2 |
15230 |
61.9 |
1.1 |
0.828 |
0 |
0 |
0 |
0.000 |
| Average: |
66.6 |
1.0 |
0.803 |
0 |
0 |
0 |
0.000 |
| 13 |
33 |
|
[NAD]E:401 |
8 |
1 |
837 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
15108 |
49.9 |
-2.8 |
0.239 |
0 |
0 |
0 |
0.055 |
34 |
|
[NAD]C:401 |
8 |
1 |
832 |
◊ |
O |
x,y,z |
1_555 |
5 |
4 |
15068 |
49.0 |
-2.7 |
0.252 |
0 |
0 |
0 |
0.055 |
35 |
|
[NAD]O:401 |
8 |
1 |
828 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
15173 |
47.0 |
-2.6 |
0.272 |
0 |
0 |
0 |
0.055 |
36 |
|
[NAD]A:401 |
8 |
1 |
830 |
◊ |
G |
x,y,z |
1_555 |
5 |
4 |
15253 |
45.8 |
-2.6 |
0.268 |
0 |
0 |
0 |
0.055 |
37 |
|
[NAD]D:401 |
6 |
1 |
832 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
15138 |
45.8 |
-2.6 |
0.266 |
0 |
0 |
0 |
0.055 |
38 |
|
[NAD]B:401 |
8 |
1 |
830 |
◊ |
F |
x,y,z |
1_555 |
5 |
4 |
15147 |
45.2 |
-2.6 |
0.277 |
0 |
0 |
0 |
0.055 |
| Average: |
47.1 |
-2.7 |
0.262 |
0 |
0 |
0 |
0.055 |
| 14 |
39 |
|
[ACT]O:403 |
4 |
1 |
183 |
◊ |
O |
x,y,z |
1_555 |
6 |
3 |
15068 |
44.3 |
0.9 |
0.857 |
2 |
0 |
0 |
0.000 |
| 15 |
40 |
|
A |
9 |
5 |
15252 |
f |
[ZN]C:402 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
98 |
42.3 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.438 |
41 |
|
[ZN]E:402 |
1 |
1 |
98 |
f |
B |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
5 |
15230 |
42.2 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.438 |
| Average: |
42.2 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.438 |
| 16 |
42 |
|
O |
8 |
4 |
15068 |
f |
[ZN]B:402 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
98 |
42.1 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.351 |
43 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
D |
-x,y-1/2,-z-2 |
2_543 |
8 |
4 |
15108 |
41.3 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.351 |
| Average: |
41.7 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.351 |
| 17 |
44 |
|
D |
7 |
4 |
15108 |
◊ |
[ACT]C:404 |
x,y,z-1 |
1_554 |
4 |
1 |
181 |
38.6 |
0.6 |
0.815 |
2 |
0 |
0 |
0.003 |
| 18 |
45 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15252 |
33.5 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.174 |
46 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15230 |
33.1 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.174 |
| Average: |
33.3 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.174 |
| 19 |
47 |
|
[ZN]C:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
15173 |
33.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.167 |
48 |
|
[ZN]E:402 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
15138 |
32.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.167 |
| Average: |
33.1 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.167 |
| 20 |
49 |
|
[ZN]C:403 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
15173 |
32.7 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.201 |
50 |
|
[ZN]O:402 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
15138 |
32.5 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.201 |
| Average: |
32.6 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.201 |
| 21 |
51 |
|
[ACT]O:403 |
3 |
1 |
183 |
f |
[ZN]O:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.113 |
52 |
|
[ACT]C:404 |
3 |
1 |
181 |
cf |
[ZN]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
26.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.113 |
| 22 |
53 |
|
D |
5 |
2 |
15108 |
◊ |
[ZN]C:403 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
25.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.139 |
54 |
|
[ZN]O:402 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
15068 |
24.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
25.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.139 |
|