| ## |
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 |
143 |
36 |
13878 |
◊ |
A |
x,y,z |
1_555 |
141 |
36 |
13807 |
1216.0 |
-9.7 |
0.223 |
17 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
93 |
28 |
13878 |
◊ |
B |
-x,y,-z+1 |
2_556 |
94 |
28 |
13878 |
836.0 |
-3.9 |
0.457 |
14 |
6 |
0 |
0.000 |
| 3 |
3 |
|
[T3F]B:303 |
35 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
67 |
25 |
13878 |
464.2 |
-1.5 |
0.658 |
11 |
0 |
0 |
0.535 |
4 |
|
[T3F]A:303 |
35 |
1 |
641 |
f |
A |
x,y,z |
1_555 |
66 |
23 |
13807 |
462.8 |
-1.5 |
0.673 |
10 |
0 |
0 |
0.535 |
| Average: |
463.5 |
-1.5 |
0.665 |
11 |
0 |
0 |
0.535 |
| 4 |
5 |
|
A |
44 |
14 |
13807 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
42 |
12 |
13807 |
404.2 |
0.0 |
0.637 |
7 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[FON]A:301 |
33 |
1 |
697 |
f |
A |
x,y,z |
1_555 |
56 |
23 |
13807 |
397.8 |
-0.4 |
0.395 |
5 |
0 |
0 |
0.199 |
7 |
|
[FON]B:301 |
34 |
1 |
691 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
13878 |
394.5 |
-0.2 |
0.404 |
5 |
0 |
0 |
0.199 |
| Average: |
396.2 |
-0.3 |
0.399 |
5 |
0 |
0 |
0.199 |
| 6 |
8 |
|
B |
31 |
10 |
13878 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
37 |
9 |
13878 |
334.2 |
0.2 |
0.648 |
5 |
1 |
0 |
0.000 |
9 |
|
A |
25 |
7 |
13807 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
24 |
8 |
13807 |
226.2 |
-0.4 |
0.556 |
3 |
1 |
0 |
0.000 |
| Average: |
280.2 |
-0.1 |
0.602 |
4 |
1 |
0 |
0.000 |
| 7 |
10 |
|
[MPO]B:302 |
11 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
13878 |
177.8 |
3.7 |
0.200 |
1 |
0 |
0 |
0.000 |
11 |
|
[MPO]A:302 |
13 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
28 |
7 |
13807 |
176.7 |
3.5 |
0.108 |
1 |
0 |
0 |
0.000 |
| Average: |
177.2 |
3.6 |
0.154 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
13807 |
107.6 |
3.5 |
0.446 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13807 |
105.4 |
4.3 |
0.552 |
4 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13807 |
99.1 |
2.4 |
0.415 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]A:308 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13807 |
92.6 |
2.4 |
0.253 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]B:308 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13878 |
91.3 |
2.3 |
0.259 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
13878 |
88.5 |
3.0 |
0.435 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
B |
15 |
7 |
13878 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
4 |
13878 |
87.6 |
0.0 |
0.597 |
1 |
1 |
0 |
0.000 |
| 15 |
19 |
|
[SO4]A:311 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
13807 |
85.5 |
-11.8 |
0.844 |
1 |
0 |
0 |
0.037 |
| 16 |
20 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
13878 |
84.0 |
2.9 |
0.299 |
2 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]A:304 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13807 |
78.6 |
2.1 |
0.223 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]B:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13878 |
76.4 |
2.0 |
0.256 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]B:307 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13878 |
74.5 |
2.2 |
0.277 |
2 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]B:306 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z+1 |
2_556 |
10 |
5 |
13878 |
73.1 |
2.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[CL]A:309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13807 |
67.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| 22 |
26 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13807 |
65.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| 23 |
27 |
|
[EDO]B:307 |
4 |
1 |
184 |
◊ |
B |
-x,y,-z+1 |
2_556 |
10 |
3 |
13878 |
65.0 |
2.1 |
0.307 |
2 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[T3F]A:303 |
6 |
1 |
641 |
f |
[FON]A:301 |
x,y,z |
1_555 |
10 |
1 |
697 |
62.2 |
0.4 |
0.485 |
1 |
0 |
0 |
0.006 |
29 |
|
[T3F]B:303 |
6 |
1 |
637 |
f |
[FON]B:301 |
x,y,z |
1_555 |
10 |
1 |
691 |
60.7 |
0.4 |
0.478 |
1 |
0 |
0 |
0.006 |
| Average: |
61.5 |
0.4 |
0.482 |
1 |
0 |
0 |
0.006 |
| 25 |
30 |
|
B |
5 |
3 |
13878 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
5 |
3 |
13878 |
49.3 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13807 |
48.8 |
1.3 |
0.856 |
2 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[EDO]B:304 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13807 |
42.8 |
1.1 |
0.224 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[EDO]A:304 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13878 |
42.8 |
1.1 |
0.223 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[EDO]A:304 |
4 |
1 |
183 |
f |
[FON]B:301 |
x,y,z |
1_555 |
5 |
1 |
691 |
35.7 |
0.8 |
0.635 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
[FON]A:301 |
x,y,z |
1_555 |
4 |
1 |
697 |
35.3 |
0.9 |
0.684 |
1 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[SO4]A:311 |
4 |
1 |
185 |
f |
[EDO]A:305 |
x,y,z |
1_555 |
3 |
1 |
185 |
34.4 |
-3.0 |
0.999 |
0 |
0 |
0 |
0.009 |
| 32 |
37 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
[T3F]A:303 |
x,y,z |
1_555 |
3 |
1 |
641 |
27.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 33 |
38 |
|
[EDO]B:307 |
4 |
1 |
184 |
f |
B |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
13878 |
22.8 |
0.5 |
0.843 |
1 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[FON]A:301 |
1 |
1 |
697 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13878 |
16.2 |
0.3 |
0.648 |
0 |
0 |
0 |
0.000 |
40 |
|
[FON]B:301 |
1 |
1 |
691 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13807 |
12.6 |
-0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
14.4 |
0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
B |
6 |
4 |
13878 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
6 |
4 |
13807 |
15.7 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|