| ## |
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 |
47 |
14 |
10917 |
◊ |
A |
x,y-1,z |
1_545 |
50 |
13 |
10563 |
449.9 |
-0.4 |
0.649 |
4 |
5 |
0 |
0.000 |
| 2 |
2 |
|
B |
46 |
15 |
10917 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
10563 |
438.1 |
3.0 |
0.886 |
6 |
6 |
0 |
0.000 |
| 3 |
3 |
|
B |
34 |
12 |
10917 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
38 |
10 |
10917 |
351.8 |
0.4 |
0.547 |
3 |
5 |
0 |
0.000 |
4 |
|
A |
38 |
13 |
10563 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
35 |
11 |
10563 |
307.8 |
1.4 |
0.714 |
3 |
5 |
0 |
0.000 |
| Average: |
329.8 |
0.9 |
0.631 |
3 |
5 |
0 |
0.000 |
| 4 |
5 |
|
B |
31 |
12 |
10917 |
x |
B |
x,y-1,z |
1_545 |
29 |
10 |
10917 |
252.2 |
-1.6 |
0.445 |
0 |
1 |
0 |
0.000 |
6 |
|
A |
17 |
8 |
10563 |
x |
A |
x,y-1,z |
1_545 |
22 |
8 |
10563 |
139.0 |
-1.1 |
0.489 |
0 |
0 |
0 |
0.000 |
| Average: |
195.6 |
-1.3 |
0.467 |
0 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
18 |
4 |
10563 |
◊ |
B |
x-1,y+1,z |
1_465 |
22 |
7 |
10917 |
187.5 |
-1.5 |
0.415 |
2 |
1 |
0 |
0.000 |
| 6 |
8 |
|
B |
20 |
4 |
10917 |
x |
B |
-x,y-1/2,-z |
2_545 |
23 |
8 |
10917 |
176.7 |
-1.2 |
0.419 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
12 |
5 |
10563 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
5 |
10917 |
128.3 |
-0.9 |
0.462 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]B:251 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
10917 |
126.5 |
2.6 |
0.358 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]B:248 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
10917 |
110.2 |
3.6 |
0.477 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:247 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
10917 |
107.1 |
3.4 |
0.453 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:246 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
10563 |
106.5 |
3.3 |
0.458 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]A:247 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
10563 |
105.2 |
3.1 |
0.431 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]B:245 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
10917 |
104.0 |
2.8 |
0.482 |
4 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]A:248 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
10563 |
103.5 |
3.5 |
0.451 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]B:253 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
10917 |
102.3 |
3.2 |
0.486 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:250 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
10917 |
97.5 |
3.1 |
0.413 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[ACT]A:244 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
10563 |
96.2 |
-1.8 |
0.358 |
0 |
0 |
0 |
0.008 |
| 18 |
20 |
|
[ACT]B:243 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
10917 |
94.5 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]A:245 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
10563 |
83.2 |
2.6 |
0.460 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:246 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
10917 |
82.1 |
2.4 |
0.270 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[ACT]A:243 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
10563 |
79.4 |
-1.1 |
0.520 |
0 |
0 |
0 |
0.005 |
| 22 |
24 |
|
[CL]A:241 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10563 |
78.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.054 |
25 |
|
[CL]B:241 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
10917 |
70.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
74.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| 23 |
26 |
|
[ACT]A:242 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10563 |
78.2 |
-0.7 |
0.495 |
1 |
0 |
0 |
0.005 |
| 24 |
27 |
|
[NA]B:240 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10917 |
78.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.054 |
28 |
|
[NA]A:240 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10563 |
76.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
77.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.054 |
| 25 |
29 |
|
B |
15 |
3 |
10917 |
f |
[ACT]B:244 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
183 |
77.2 |
-0.8 |
0.543 |
0 |
0 |
0 |
0.003 |
| 26 |
30 |
|
[EDO]B:249 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10917 |
72.5 |
1.9 |
0.229 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
B |
13 |
4 |
10917 |
◊ |
[EDO]B:252 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
184 |
68.9 |
2.0 |
0.280 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[CL]B:242 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
10917 |
67.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 29 |
33 |
|
B |
8 |
2 |
10917 |
◊ |
[EDO]A:249 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
67.1 |
1.9 |
0.250 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
B |
7 |
4 |
10917 |
◊ |
[EDO]B:246 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
185 |
65.4 |
1.0 |
0.738 |
2 |
0 |
0 |
0.000 |
| 31 |
35 |
|
A |
7 |
4 |
10563 |
f |
[EDO]A:245 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
185 |
62.2 |
0.9 |
0.732 |
2 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[EDO]B:252 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
10917 |
58.9 |
2.6 |
0.954 |
1 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[EDO]A:249 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
10563 |
51.3 |
0.5 |
0.638 |
1 |
0 |
0 |
0.000 |
| 34 |
38 |
|
B |
10 |
4 |
10917 |
◊ |
[ACT]A:243 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
50.6 |
-0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[ACT]B:244 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
10917 |
41.6 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[EDO]B:245 |
2 |
1 |
186 |
f |
A |
x,y-1,z |
1_545 |
3 |
2 |
10563 |
37.7 |
1.0 |
0.448 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[EDO]B:252 |
2 |
1 |
184 |
◊ |
[ACT]B:244 |
x,y,z |
1_555 |
3 |
1 |
183 |
33.8 |
1.1 |
0.935 |
1 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[EDO]B:250 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
10563 |
30.6 |
0.3 |
0.778 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[EDO]B:251 |
2 |
1 |
184 |
f |
[CL]B:241 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 40 |
44 |
|
[ACT]B:243 |
2 |
1 |
183 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
10563 |
24.3 |
0.2 |
0.575 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[ACT]A:242 |
1 |
1 |
183 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
10563 |
10.2 |
-0.3 |
0.308 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
[ACT]A:244 |
1 |
1 |
182 |
f |
[ACT]A:242 |
x,y,z |
1_555 |
1 |
1 |
183 |
9.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[ACT]A:243 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10917 |
9.7 |
0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
| 44 |
48 |
|
[ACT]B:243 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10563 |
7.1 |
-0.2 |
0.358 |
0 |
0 |
0 |
0.000 |
| 45 |
49 |
|
[EDO]A:248 |
2 |
1 |
185 |
◊ |
[EDO]A:245 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
185 |
7.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
50 |
|
[EDO]B:248 |
2 |
1 |
183 |
f |
[EDO]B:246 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
185 |
6.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 47 |
51 |
|
[EDO]B:249 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
10563 |
2.2 |
0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
|