| ## |
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 |
|
A |
39 |
11 |
13191 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
44 |
13 |
13609 |
365.9 |
-2.7 |
0.322 |
2 |
4 |
0 |
0.000 |
2 |
|
A |
38 |
13 |
13191 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
37 |
10 |
13609 |
349.0 |
-1.6 |
0.454 |
4 |
3 |
0 |
0.000 |
| Average: |
357.5 |
-2.1 |
0.388 |
3 |
4 |
0 |
0.000 |
| 2 |
3 |
|
B |
41 |
12 |
13609 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
13191 |
335.0 |
3.5 |
0.888 |
7 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
36 |
13 |
13191 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
33 |
13 |
13609 |
317.0 |
-1.9 |
0.417 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
31 |
11 |
13191 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
11 |
13609 |
264.6 |
0.1 |
0.642 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
30 |
8 |
13609 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
9 |
13191 |
264.4 |
-0.1 |
0.567 |
4 |
4 |
0 |
0.000 |
| 6 |
7 |
|
[FBJ]A:804 |
9 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
13191 |
176.7 |
-3.7 |
0.198 |
2 |
0 |
0 |
0.003 |
8 |
|
[FBJ]B:804 |
9 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
13609 |
175.6 |
-3.6 |
0.187 |
2 |
0 |
0 |
0.003 |
| Average: |
176.2 |
-3.7 |
0.192 |
2 |
0 |
0 |
0.003 |
| 7 |
9 |
|
A |
13 |
5 |
13191 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
6 |
13191 |
156.5 |
0.6 |
0.680 |
1 |
2 |
0 |
0.000 |
10 |
|
B |
16 |
5 |
13609 |
x |
B |
-x+3/2,-y,z-1/2 |
2_654 |
13 |
5 |
13609 |
155.0 |
0.3 |
0.629 |
1 |
2 |
0 |
0.000 |
| Average: |
155.7 |
0.4 |
0.655 |
1 |
2 |
0 |
0.000 |
| 8 |
11 |
|
[K]B:803 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
13609 |
115.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
12 |
|
[K]A:803 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13191 |
115.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
115.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.074 |
| 9 |
13 |
|
A |
8 |
3 |
13191 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
13609 |
109.6 |
-0.9 |
0.375 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
17 |
5 |
13609 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
4 |
13609 |
106.1 |
-0.7 |
0.484 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]B:807 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13609 |
104.8 |
3.0 |
0.413 |
7 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]A:810 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13191 |
102.9 |
2.3 |
0.366 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]A:808 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13191 |
97.0 |
2.3 |
0.244 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[EDO]B:806 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
13609 |
96.4 |
2.0 |
0.361 |
3 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[EDO]A:807 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
13191 |
95.3 |
1.7 |
0.254 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
A |
14 |
6 |
13191 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
7 |
13609 |
94.8 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]A:809 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13191 |
93.7 |
2.9 |
0.476 |
4 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]A:806 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
5 |
13609 |
82.2 |
2.3 |
0.221 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]B:805 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13609 |
79.4 |
2.4 |
0.490 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]A:805 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
13191 |
77.9 |
2.4 |
0.485 |
2 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]A:806 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13191 |
62.0 |
1.7 |
0.888 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
A |
7 |
4 |
13191 |
◊ |
[EDO]B:805 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
59.4 |
2.4 |
0.333 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[EDO]A:805 |
4 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
7 |
4 |
13609 |
56.9 |
2.0 |
0.316 |
2 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[EDO]A:809 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
13609 |
38.8 |
1.3 |
0.782 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[ZN]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
13191 |
35.3 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.017 |
30 |
|
[ZN]B:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
13609 |
35.2 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
35.3 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 26 |
31 |
|
[EDO]A:808 |
3 |
1 |
186 |
f |
B |
x-1,y,z |
1_455 |
5 |
2 |
13609 |
34.8 |
0.7 |
0.569 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[FBJ]A:804 |
4 |
1 |
288 |
f |
[ZN]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.009 |
33 |
|
[FBJ]B:804 |
4 |
1 |
286 |
f |
[ZN]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
30.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 28 |
34 |
|
[EDO]B:807 |
3 |
1 |
185 |
◊ |
[EDO]B:806 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.8 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
B |
2 |
1 |
13609 |
f |
[EDO]B:806 |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
185 |
26.2 |
0.5 |
0.473 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[EDO]A:810 |
3 |
1 |
183 |
f |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
13191 |
25.6 |
0.7 |
0.543 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[EDO]A:805 |
2 |
1 |
184 |
f |
[EDO]B:805 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
24.4 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[EDO]A:807 |
1 |
1 |
184 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
13609 |
10.6 |
0.3 |
0.887 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
A |
2 |
2 |
13191 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
13191 |
5.0 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
B |
1 |
1 |
13609 |
◊ |
[EDO]B:807 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
185 |
1.8 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|