| ## |
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 |
176 |
44 |
11288 |
◊ |
A |
x,y,z |
1_555 |
180 |
43 |
10926 |
1632.2 |
-13.7 |
0.340 |
25 |
11 |
0 |
0.910 |
| 2 |
2 |
|
B |
67 |
19 |
11288 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
68 |
20 |
10926 |
628.2 |
-4.4 |
0.488 |
9 |
4 |
0 |
0.000 |
| 3 |
3 |
|
A |
55 |
15 |
10926 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
54 |
15 |
11288 |
451.5 |
-1.6 |
0.587 |
6 |
3 |
0 |
0.000 |
| 4 |
4 |
|
B |
22 |
7 |
11288 |
x |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
23 |
7 |
11288 |
200.0 |
-1.7 |
0.457 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
27 |
8 |
11288 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
7 |
10926 |
160.3 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[EDO]A:216 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
10926 |
122.3 |
2.1 |
0.277 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[EDO]A:214 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
10926 |
102.6 |
3.4 |
0.508 |
4 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]A:215 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
8 |
11288 |
99.9 |
2.7 |
0.468 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]A:218 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
10926 |
94.3 |
2.9 |
0.501 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]B:214 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
10926 |
88.4 |
2.7 |
0.468 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]B:217 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
11288 |
86.2 |
2.9 |
0.527 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]B:213 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
11288 |
83.9 |
2.7 |
0.477 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]B:215 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
11288 |
79.9 |
1.5 |
0.239 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
A |
10 |
3 |
10926 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
10926 |
75.9 |
-0.8 |
0.178 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
A |
16 |
5 |
10926 |
f |
[EDO]B:215 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
186 |
74.6 |
1.3 |
0.212 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[EDO]B:216 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
11288 |
73.1 |
1.5 |
0.244 |
1 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[EDO]B:219 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11288 |
70.5 |
2.4 |
0.309 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]A:219 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10926 |
70.3 |
1.7 |
0.251 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[EDO]B:213 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10926 |
64.8 |
1.3 |
0.716 |
2 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]B:214 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11288 |
64.4 |
1.1 |
0.754 |
2 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[EDO]A:217 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11288 |
64.1 |
1.5 |
0.238 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
A |
6 |
4 |
10926 |
f |
[EDO]B:219 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
63.8 |
1.4 |
0.687 |
1 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[EDO]B:212 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
10926 |
62.7 |
1.3 |
0.612 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
A |
9 |
4 |
10926 |
f |
[EDO]B:216 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
61.8 |
0.9 |
0.520 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
A |
9 |
4 |
10926 |
◊ |
[EDO]B:218 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
185 |
57.7 |
0.8 |
0.184 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[EDO]A:217 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10926 |
50.7 |
1.0 |
0.891 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:212 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11288 |
49.1 |
0.9 |
0.880 |
1 |
0 |
0 |
0.000 |
| Average: |
49.9 |
0.9 |
0.885 |
2 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[CL]A:212 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10926 |
48.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.409 |
29 |
|
[CL]A:213 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11288 |
48.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.409 |
| Average: |
48.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.409 |
| 28 |
30 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10926 |
46.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.425 |
31 |
|
[CL]A:212 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11288 |
45.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.425 |
| Average: |
46.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.425 |
| 29 |
32 |
|
[EDO]B:218 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11288 |
39.9 |
0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[EDO]A:215 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10926 |
33.1 |
0.0 |
0.410 |
1 |
0 |
0 |
0.015 |
| 31 |
34 |
|
[EDO]B:217 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
10926 |
32.1 |
0.4 |
0.620 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]B:218 |
4 |
1 |
185 |
◊ |
[EDO]B:216 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.8 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]A:218 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
11288 |
25.0 |
0.5 |
0.682 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]B:213 |
1 |
1 |
184 |
f |
[EDO]B:212 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[EDO]A:217 |
1 |
1 |
184 |
f |
[CL]A:212 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.036 |
39 |
|
[EDO]B:212 |
1 |
1 |
186 |
f |
[CL]A:213 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
7.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.036 |
|