| ## |
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 |
|
D |
187 |
52 |
14272 |
◊ |
B |
x,y,z |
1_555 |
185 |
52 |
14351 |
1697.4 |
-17.4 |
0.128 |
27 |
0 |
0 |
1.000 |
2 |
|
C |
188 |
54 |
14172 |
◊ |
A |
x,y,z |
1_555 |
186 |
53 |
14072 |
1694.6 |
-16.7 |
0.146 |
29 |
0 |
0 |
1.000 |
| Average: |
1696.0 |
-17.1 |
0.137 |
28 |
0 |
0 |
1.000 |
| 2 |
3 |
|
D |
124 |
33 |
14272 |
◊ |
C |
x,y,z |
1_555 |
111 |
33 |
14172 |
1108.8 |
-7.8 |
0.389 |
11 |
0 |
0 |
1.000 |
4 |
|
B |
117 |
33 |
14351 |
◊ |
A |
x,y,z |
1_555 |
110 |
30 |
14072 |
1088.7 |
-8.1 |
0.323 |
13 |
0 |
0 |
1.000 |
| Average: |
1098.8 |
-7.9 |
0.356 |
12 |
0 |
0 |
1.000 |
| 3 |
5 |
|
C |
90 |
24 |
14172 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
86 |
26 |
14351 |
786.5 |
-1.7 |
0.625 |
11 |
3 |
0 |
0.000 |
6 |
|
D |
79 |
24 |
14272 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
88 |
23 |
14072 |
778.5 |
-2.1 |
0.620 |
9 |
3 |
0 |
0.000 |
| Average: |
782.5 |
-1.9 |
0.622 |
10 |
3 |
0 |
0.000 |
| 4 |
7 |
|
D |
71 |
22 |
14272 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
76 |
22 |
14351 |
659.1 |
-4.7 |
0.414 |
4 |
1 |
0 |
0.000 |
| 5 |
8 |
|
D |
32 |
8 |
14272 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
37 |
12 |
14172 |
289.4 |
1.4 |
0.757 |
3 |
0 |
0 |
0.000 |
9 |
|
A |
34 |
12 |
14072 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
30 |
8 |
14351 |
267.0 |
0.9 |
0.722 |
3 |
2 |
0 |
0.000 |
| Average: |
278.2 |
1.1 |
0.740 |
3 |
1 |
0 |
0.000 |
| 6 |
10 |
|
B |
31 |
6 |
14351 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
6 |
14072 |
213.9 |
-0.8 |
0.426 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
23 |
9 |
14172 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
14351 |
198.6 |
-1.5 |
0.438 |
2 |
0 |
0 |
0.059 |
12 |
|
D |
20 |
9 |
14272 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14072 |
167.2 |
-2.0 |
0.342 |
1 |
0 |
0 |
0.059 |
| Average: |
182.9 |
-1.7 |
0.390 |
2 |
0 |
0 |
0.059 |
| 8 |
13 |
|
D |
17 |
7 |
14272 |
x |
D |
-x-1,y-1/2,-z+1 |
2_446 |
17 |
6 |
14272 |
143.9 |
-0.5 |
0.479 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[EDO]D:9003 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
14272 |
103.1 |
4.2 |
0.712 |
7 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:9004 |
4 |
1 |
180 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
14351 |
102.0 |
4.2 |
0.697 |
7 |
0 |
0 |
0.000 |
| Average: |
102.5 |
4.2 |
0.705 |
7 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[EDO]A:9002 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
14072 |
102.0 |
4.2 |
0.703 |
7 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[EDO]C:9001 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
14172 |
101.7 |
4.2 |
0.704 |
7 |
0 |
0 |
0.000 |
| 12 |
18 |
|
B |
9 |
5 |
14351 |
x |
B |
-x-1,y-1/2,-z+1 |
2_446 |
13 |
4 |
14351 |
85.8 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[EDO]D:9008 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
14272 |
75.8 |
2.5 |
0.540 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:9005 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
14072 |
75.3 |
2.4 |
0.312 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:9006 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14351 |
75.2 |
2.4 |
0.307 |
4 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:9007 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
13 |
8 |
14172 |
75.1 |
2.4 |
0.310 |
3 |
0 |
0 |
0.000 |
| Average: |
75.4 |
2.4 |
0.367 |
3 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[EDO]A:9005 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
14172 |
58.3 |
0.9 |
0.550 |
2 |
0 |
0 |
0.007 |
24 |
|
[EDO]C:9007 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14072 |
58.2 |
0.9 |
0.517 |
2 |
0 |
0 |
0.007 |
25 |
|
[EDO]B:9006 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
14272 |
57.5 |
0.9 |
0.516 |
2 |
0 |
0 |
0.007 |
26 |
|
[EDO]D:9008 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14351 |
56.3 |
0.8 |
0.503 |
2 |
0 |
0 |
0.007 |
| Average: |
57.6 |
0.9 |
0.521 |
2 |
0 |
0 |
0.007 |
| 15 |
27 |
|
C |
6 |
4 |
14172 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
5 |
2 |
14172 |
26.5 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
4 |
2 |
14072 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
14072 |
12.7 |
-0.3 |
0.474 |
0 |
0 |
0 |
0.000 |
| Average: |
19.6 |
-0.3 |
0.486 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[EDO]D:9008 |
2 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14172 |
26.2 |
0.2 |
0.162 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:9006 |
2 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14072 |
26.2 |
0.2 |
0.157 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:9005 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14351 |
24.8 |
0.2 |
0.248 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]C:9007 |
2 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14272 |
24.7 |
0.2 |
0.249 |
0 |
0 |
0 |
0.000 |
| Average: |
25.5 |
0.2 |
0.204 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
C |
1 |
1 |
14172 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
14272 |
8.5 |
0.3 |
0.857 |
0 |
0 |
0 |
0.000 |
|