| ## |
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 |
162 |
41 |
11965 |
◊ |
B |
x,y,z |
1_555 |
158 |
38 |
11873 |
1494.6 |
-16.8 |
0.121 |
28 |
7 |
0 |
0.890 |
2 |
|
D |
157 |
37 |
11790 |
◊ |
A |
x,y,z |
1_555 |
160 |
39 |
11859 |
1482.6 |
-16.9 |
0.114 |
26 |
7 |
0 |
0.890 |
| Average: |
1488.6 |
-16.8 |
0.117 |
27 |
7 |
0 |
0.890 |
| 2 |
3 |
|
D |
158 |
47 |
11790 |
◊ |
C |
x,y,z |
1_555 |
157 |
45 |
11965 |
1483.7 |
-18.0 |
0.078 |
20 |
0 |
0 |
0.895 |
4 |
|
B |
159 |
45 |
11873 |
◊ |
A |
x,y,z |
1_555 |
157 |
46 |
11859 |
1482.1 |
-18.4 |
0.072 |
20 |
0 |
0 |
0.895 |
| Average: |
1482.9 |
-18.2 |
0.075 |
20 |
0 |
0 |
0.895 |
| 3 |
5 |
|
B |
62 |
25 |
11873 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
60 |
15 |
11859 |
590.6 |
2.4 |
0.803 |
7 |
10 |
0 |
0.000 |
6 |
|
D |
61 |
15 |
11790 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
56 |
23 |
11965 |
576.3 |
2.1 |
0.800 |
6 |
6 |
0 |
0.000 |
| Average: |
583.5 |
2.3 |
0.801 |
7 |
8 |
0 |
0.000 |
| 4 |
7 |
|
B |
40 |
15 |
11873 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
11 |
11790 |
302.9 |
-2.4 |
0.403 |
1 |
1 |
0 |
0.000 |
| 5 |
8 |
|
D |
18 |
4 |
11790 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
11873 |
139.6 |
-4.0 |
0.085 |
0 |
0 |
0 |
0.063 |
9 |
|
C |
17 |
4 |
11965 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
11859 |
138.2 |
-3.9 |
0.100 |
0 |
0 |
0 |
0.063 |
| Average: |
138.9 |
-4.0 |
0.093 |
0 |
0 |
0 |
0.063 |
| 6 |
10 |
|
A |
14 |
5 |
11859 |
◊ |
C |
x,y,z-1 |
1_554 |
15 |
7 |
11965 |
125.9 |
-2.0 |
0.266 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
12 |
11873 |
121.0 |
3.4 |
0.439 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
11873 |
117.6 |
4.0 |
0.526 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[EDO]C:304 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
11965 |
116.0 |
3.7 |
0.511 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]A:302 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
11859 |
112.5 |
3.4 |
0.467 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
11790 |
105.1 |
4.0 |
0.681 |
4 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]C:305 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
11965 |
104.6 |
3.0 |
0.398 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]D:303 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
11790 |
96.1 |
2.0 |
0.406 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[EDO]B:307 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11873 |
82.9 |
2.0 |
0.258 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[EDO]C:302 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
11790 |
78.3 |
2.1 |
0.282 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[EDO]D:305 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
11790 |
77.6 |
2.8 |
0.299 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
11790 |
77.6 |
1.6 |
0.272 |
3 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11859 |
76.3 |
1.4 |
0.243 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
D |
11 |
5 |
11790 |
◊ |
[EDO]C:303 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
184 |
75.7 |
2.1 |
0.270 |
2 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
11965 |
75.6 |
1.8 |
0.264 |
3 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11873 |
75.0 |
1.5 |
0.241 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
11965 |
74.1 |
1.4 |
0.241 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[EDO]D:306 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
11965 |
72.3 |
2.3 |
0.281 |
1 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[EDO]D:306 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
11790 |
69.1 |
1.6 |
0.766 |
2 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]B:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11859 |
68.3 |
2.1 |
0.279 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[EDO]B:305 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11873 |
68.1 |
1.6 |
0.277 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11859 |
66.6 |
1.8 |
0.818 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[EDO]B:305 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11859 |
65.1 |
1.6 |
0.267 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[NA]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11965 |
64.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.725 |
34 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11859 |
63.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.725 |
35 |
|
[NA]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11873 |
63.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.725 |
36 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
11790 |
47.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.725 |
| Average: |
59.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.725 |
| 30 |
37 |
|
[EDO]B:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11873 |
63.6 |
1.2 |
0.748 |
2 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[EDO]D:305 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
11965 |
61.3 |
1.7 |
0.277 |
1 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
11790 |
55.8 |
1.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
B |
8 |
2 |
11873 |
◊ |
[EDO]D:304 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
47.5 |
0.7 |
0.523 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
[NA]D:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.113 |
| 35 |
42 |
|
[EDO]D:303 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11859 |
28.9 |
0.3 |
0.363 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[EDO]D:303 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11873 |
24.3 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[EDO]B:306 |
2 |
1 |
185 |
f |
[EDO]B:305 |
x,y,z |
1_555 |
2 |
1 |
182 |
22.6 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
| 38 |
45 |
|
B |
3 |
2 |
11873 |
◊ |
[NA]D:301 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
13.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
A |
1 |
1 |
11859 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
11790 |
2.1 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|