| ## |
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 |
328 |
81 |
20854 |
◊ |
A |
x,y,z |
1_555 |
336 |
83 |
20885 |
3274.0 |
-34.4 |
0.054 |
42 |
8 |
0 |
0.288 |
2 |
|
D |
330 |
82 |
20807 |
◊ |
C |
x,y,z |
1_555 |
330 |
81 |
20601 |
3265.9 |
-36.3 |
0.018 |
45 |
8 |
0 |
0.288 |
| Average: |
3270.0 |
-35.4 |
0.036 |
44 |
8 |
0 |
0.288 |
| 2 |
3 |
|
A |
191 |
50 |
20885 |
x |
D |
-y-1,x-y-1,z |
2_445 |
172 |
45 |
20807 |
1695.7 |
-10.3 |
0.446 |
19 |
4 |
0 |
0.205 |
4 |
|
A |
166 |
44 |
20885 |
x |
B |
-y-1,x-y-1,z |
2_445 |
189 |
47 |
20854 |
1695.2 |
-7.7 |
0.551 |
21 |
5 |
0 |
0.205 |
5 |
|
C |
169 |
44 |
20601 |
x |
C |
-y-1,x-y-1,z |
2_445 |
186 |
48 |
20601 |
1680.0 |
-8.8 |
0.452 |
20 |
6 |
0 |
0.205 |
6 |
|
D |
190 |
47 |
20807 |
x |
B |
x,y,z |
1_555 |
174 |
45 |
20854 |
1672.2 |
-9.4 |
0.415 |
18 |
5 |
0 |
0.205 |
| Average: |
1685.8 |
-9.1 |
0.466 |
20 |
5 |
0 |
0.205 |
| 3 |
7 |
|
C |
27 |
7 |
20601 |
◊ |
A |
-y-4/3,x-y-2/3,z+1/3 |
5_345 |
29 |
9 |
20885 |
233.4 |
4.4 |
0.956 |
4 |
3 |
0 |
0.000 |
| 4 |
8 |
|
D |
25 |
8 |
20807 |
x |
D |
-y,x-y,z |
2_555 |
22 |
7 |
20807 |
179.9 |
2.2 |
0.859 |
1 |
1 |
0 |
0.000 |
| 5 |
9 |
|
[CAC]C:603 |
5 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
20601 |
128.4 |
2.3 |
0.325 |
0 |
0 |
0 |
0.000 |
10 |
|
[CAC]B:603 |
5 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
20854 |
127.5 |
2.4 |
0.340 |
0 |
0 |
0 |
0.000 |
11 |
|
[CAC]A:603 |
5 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
20885 |
127.4 |
2.4 |
0.344 |
0 |
0 |
0 |
0.000 |
12 |
|
[CAC]D:603 |
5 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
20807 |
127.1 |
3.3 |
0.437 |
0 |
0 |
0 |
0.000 |
| Average: |
127.6 |
2.6 |
0.361 |
0 |
0 |
0 |
0.000 |
| 6 |
13 |
|
[CAC]D:604 |
5 |
1 |
238 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
20807 |
112.4 |
3.0 |
0.282 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[CAC]B:604 |
5 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20854 |
110.1 |
3.0 |
0.247 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[CAC]C:604 |
5 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
20601 |
109.8 |
2.9 |
0.245 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[CAC]A:604 |
5 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
20885 |
108.7 |
2.9 |
0.248 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
B |
8 |
3 |
20854 |
◊ |
A |
-y-1,x-y,z |
2_455 |
4 |
2 |
20885 |
41.8 |
0.6 |
0.766 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
C |
6 |
4 |
20601 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
5 |
2 |
20854 |
38.7 |
0.9 |
0.829 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
5 |
3 |
20601 |
◊ |
A |
x+2/3,y+1/3,z+1/3 |
4_555 |
5 |
3 |
20885 |
28.6 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
| Average: |
33.6 |
0.8 |
0.808 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[ZN]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
20601 |
36.8 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.272 |
21 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20885 |
36.4 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.272 |
22 |
|
[ZN]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
20807 |
36.3 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.272 |
23 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20854 |
35.6 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.272 |
| Average: |
36.3 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.272 |
| 13 |
24 |
|
[CAC]A:603 |
4 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20854 |
31.8 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
25 |
|
[CAC]C:603 |
4 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20807 |
31.4 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
26 |
|
[CAC]B:603 |
4 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20885 |
31.0 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
27 |
|
[CAC]D:603 |
4 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20601 |
30.9 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
| Average: |
31.3 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
| 14 |
28 |
|
[ZN]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
20601 |
31.0 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.227 |
29 |
|
[ZN]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
20807 |
30.8 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.227 |
30 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
20885 |
30.7 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.227 |
31 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20854 |
30.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.227 |
| Average: |
30.8 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.227 |
| 15 |
32 |
|
[CAC]B:603 |
4 |
1 |
237 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.117 |
33 |
|
[CAC]D:603 |
4 |
1 |
237 |
cf |
[ZN]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.117 |
34 |
|
[CAC]A:603 |
4 |
1 |
236 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.117 |
35 |
|
[CAC]C:603 |
3 |
1 |
235 |
f |
[ZN]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
25.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.117 |
| 16 |
36 |
|
[CAC]B:603 |
4 |
1 |
237 |
f |
[ZN]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.118 |
37 |
|
[CAC]C:603 |
4 |
1 |
235 |
f |
[ZN]C:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.118 |
38 |
|
[CAC]A:603 |
4 |
1 |
236 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.118 |
39 |
|
[CAC]D:603 |
4 |
1 |
237 |
f |
[ZN]D:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
25.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.118 |
| 17 |
40 |
|
[CAC]B:604 |
2 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
20885 |
22.5 |
0.2 |
0.301 |
0 |
0 |
0 |
0.000 |
41 |
|
[CAC]D:604 |
2 |
1 |
238 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
20601 |
21.4 |
0.1 |
0.284 |
0 |
0 |
0 |
0.000 |
| Average: |
21.9 |
0.1 |
0.292 |
0 |
0 |
0 |
0.000 |
| 18 |
42 |
|
[CAC]C:604 |
2 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
20807 |
20.8 |
0.1 |
0.299 |
0 |
0 |
0 |
0.000 |
| 19 |
43 |
|
[CAC]A:604 |
1 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20854 |
19.9 |
0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
| 20 |
44 |
|
[ZN]A:602 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20854 |
13.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.042 |
45 |
|
[ZN]B:602 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20885 |
13.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.042 |
46 |
|
[ZN]D:602 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20601 |
13.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.042 |
47 |
|
[ZN]C:602 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20807 |
12.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
13.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.042 |
| 21 |
48 |
|
[ZN]D:602 |
1 |
1 |
98 |
f |
[ZN]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 22 |
49 |
|
[ZN]B:602 |
1 |
1 |
98 |
f |
[ZN]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.045 |
| 23 |
50 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
[ZN]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.043 |
| 24 |
51 |
|
[ZN]C:602 |
1 |
1 |
98 |
f |
[ZN]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.093 |
|