| ## |
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 |
175 |
44 |
11810 |
◊ |
A |
x,y,z |
1_555 |
170 |
43 |
11626 |
1642.2 |
-17.8 |
0.056 |
24 |
11 |
0 |
1.000 |
2 |
|
D |
172 |
45 |
11897 |
◊ |
B |
x,y,z |
1_555 |
175 |
45 |
11793 |
1624.3 |
-14.2 |
0.142 |
28 |
12 |
0 |
1.000 |
| Average: |
1633.3 |
-16.0 |
0.099 |
26 |
12 |
0 |
1.000 |
| 2 |
3 |
|
D |
145 |
38 |
11897 |
◊ |
A |
x,y,z |
1_555 |
150 |
38 |
11626 |
1366.6 |
-16.7 |
0.057 |
24 |
2 |
0 |
1.000 |
4 |
|
C |
146 |
38 |
11810 |
◊ |
B |
x,y,z |
1_555 |
144 |
38 |
11793 |
1332.7 |
-16.4 |
0.062 |
22 |
0 |
0 |
1.000 |
| Average: |
1349.6 |
-16.6 |
0.059 |
23 |
1 |
0 |
1.000 |
| 3 |
5 |
|
[NDP]D:301 |
48 |
1 |
875 |
f |
D |
x,y,z |
1_555 |
85 |
33 |
11897 |
592.0 |
-0.6 |
0.595 |
17 |
0 |
0 |
1.000 |
6 |
|
[NDP]B:301 |
47 |
1 |
873 |
f |
B |
x,y,z |
1_555 |
80 |
30 |
11793 |
589.5 |
-0.4 |
0.624 |
17 |
0 |
0 |
1.000 |
| Average: |
590.7 |
-0.5 |
0.610 |
17 |
0 |
0 |
1.000 |
| 4 |
7 |
|
D |
29 |
9 |
11897 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
31 |
6 |
11793 |
253.5 |
-2.5 |
0.265 |
3 |
0 |
0 |
0.091 |
| 5 |
8 |
|
D |
23 |
6 |
11897 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
7 |
11626 |
205.7 |
-0.4 |
0.379 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
C |
25 |
10 |
11810 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
5 |
11793 |
191.2 |
1.2 |
0.743 |
1 |
5 |
0 |
0.000 |
| 7 |
10 |
|
B |
14 |
5 |
11793 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11626 |
161.3 |
-2.4 |
0.222 |
0 |
0 |
0 |
0.043 |
11 |
|
D |
14 |
6 |
11897 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
11810 |
152.0 |
-1.5 |
0.378 |
0 |
0 |
0 |
0.043 |
| Average: |
156.7 |
-1.9 |
0.300 |
0 |
0 |
0 |
0.043 |
| 8 |
12 |
|
D |
19 |
5 |
11897 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
11810 |
155.9 |
-2.2 |
0.245 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
B |
11 |
3 |
11793 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
11793 |
119.6 |
-2.4 |
0.150 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]B:307 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
11793 |
109.4 |
3.1 |
0.402 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
11897 |
108.8 |
3.0 |
0.402 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
11 |
4 |
11793 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
5 |
11810 |
107.8 |
0.1 |
0.613 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]C:302 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11810 |
106.5 |
3.9 |
0.502 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11626 |
102.2 |
3.6 |
0.485 |
2 |
0 |
0 |
0.000 |
| Average: |
104.3 |
3.7 |
0.494 |
3 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[EDO]D:303 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
11897 |
106.4 |
3.8 |
0.498 |
3 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11793 |
106.2 |
3.8 |
0.498 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
11897 |
100.7 |
4.1 |
0.530 |
3 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
11793 |
100.4 |
4.2 |
0.534 |
3 |
0 |
0 |
0.000 |
| Average: |
100.5 |
4.1 |
0.532 |
3 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[EDO]C:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
11810 |
100.4 |
3.9 |
0.520 |
3 |
0 |
0 |
0.000 |
| 18 |
24 |
|
A |
11 |
3 |
11626 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
11793 |
87.7 |
-2.2 |
0.098 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[EDO]B:308 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11793 |
85.7 |
2.4 |
0.426 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
A |
10 |
3 |
11626 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
11810 |
82.0 |
1.6 |
0.828 |
2 |
1 |
0 |
0.000 |
| 21 |
27 |
|
A |
16 |
9 |
11626 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
8 |
11897 |
79.1 |
-0.9 |
0.462 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11626 |
75.9 |
1.8 |
0.240 |
2 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]A:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
11810 |
74.2 |
1.5 |
0.243 |
1 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[EDO]B:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11793 |
74.0 |
1.5 |
0.240 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[EDO]B:306 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
11897 |
73.4 |
1.6 |
0.243 |
1 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
11897 |
67.3 |
1.9 |
0.253 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
11897 |
66.0 |
1.5 |
0.263 |
2 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11793 |
62.2 |
1.8 |
0.260 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[EDO]B:309 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
11897 |
61.7 |
1.2 |
0.235 |
1 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[EDO]B:309 |
2 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
11793 |
58.7 |
1.3 |
0.500 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[EDO]D:302 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
11793 |
55.8 |
0.9 |
0.205 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[EDO]D:302 |
3 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
4 |
11793 |
44.1 |
1.2 |
0.255 |
1 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[EDO]B:309 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11793 |
39.6 |
0.5 |
0.659 |
1 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[EDO]B:304 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11793 |
31.5 |
1.2 |
0.909 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[EDO]B:307 |
2 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
11897 |
27.5 |
0.9 |
0.905 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[EDO]D:304 |
2 |
1 |
184 |
f |
[EDO]D:303 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.8 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:303 |
3 |
1 |
185 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
26.4 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[EDO]C:302 |
3 |
1 |
184 |
f |
[EDO]C:301 |
x,y,z |
1_555 |
2 |
1 |
184 |
26.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
|