## |
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 |
235 |
63 |
18076 |
◊ |
A |
x,y,z |
1_555 |
234 |
63 |
18101 |
2235.7 |
-14.9 |
0.398 |
36 |
8 |
0 |
1.000 |
2 |
2 |
|
[NDP]B:501 |
45 |
1 |
874 |
f |
B |
x,y,z |
1_555 |
79 |
31 |
18076 |
572.5 |
-5.1 |
0.327 |
12 |
0 |
0 |
1.000 |
3 |
|
[NDP]A:501 |
45 |
1 |
873 |
f |
A |
x,y,z |
1_555 |
80 |
31 |
18101 |
565.2 |
-5.1 |
0.323 |
12 |
0 |
0 |
1.000 |
Average: |
568.9 |
-5.1 |
0.325 |
12 |
0 |
0 |
1.000 |
3 |
4 |
|
A |
53 |
18 |
18101 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
52 |
16 |
18076 |
514.3 |
4.6 |
0.956 |
18 |
8 |
0 |
0.000 |
4 |
5 |
|
A |
43 |
15 |
18101 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
47 |
16 |
18076 |
453.6 |
-1.2 |
0.647 |
6 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
23 |
10 |
18101 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
11 |
18076 |
251.8 |
0.5 |
0.764 |
4 |
2 |
0 |
0.000 |
6 |
7 |
|
B |
23 |
8 |
18076 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
5 |
18101 |
236.0 |
-0.5 |
0.645 |
5 |
0 |
0 |
0.000 |
8 |
|
A |
16 |
6 |
18101 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
5 |
18076 |
170.5 |
-0.5 |
0.615 |
1 |
0 |
0 |
0.000 |
Average: |
203.2 |
-0.5 |
0.630 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
17 |
7 |
18076 |
x |
B |
x-1,y,z |
1_455 |
28 |
10 |
18076 |
168.5 |
-1.3 |
0.510 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
15 |
6 |
18101 |
x |
A |
x-1,y,z |
1_455 |
24 |
8 |
18101 |
163.0 |
-1.2 |
0.492 |
1 |
0 |
0 |
0.000 |
Average: |
165.8 |
-1.3 |
0.501 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[SSN]A:502 |
7 |
1 |
245 |
cf |
A |
x,y,z |
1_555 |
22 |
12 |
18101 |
141.1 |
5.1 |
0.644 |
5 |
0 |
0 |
0.000 |
9 |
12 |
|
[SSN]B:502 |
7 |
1 |
244 |
cf |
B |
x,y,z |
1_555 |
21 |
12 |
18076 |
141.0 |
3.7 |
0.581 |
5 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
22 |
12 |
18076 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
11 |
18101 |
132.6 |
1.5 |
0.851 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
18076 |
115.8 |
3.9 |
0.680 |
4 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:503 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
18101 |
115.0 |
3.9 |
0.682 |
4 |
0 |
0 |
0.000 |
Average: |
115.4 |
3.9 |
0.681 |
4 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]B:509 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
18076 |
108.7 |
3.4 |
0.516 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
18101 |
107.5 |
4.1 |
0.697 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:508 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
18076 |
107.0 |
4.1 |
0.697 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
18101 |
105.3 |
2.8 |
0.438 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:510 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
18076 |
104.9 |
2.8 |
0.442 |
3 |
0 |
0 |
0.000 |
Average: |
105.1 |
2.8 |
0.440 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]A:506 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
18101 |
102.2 |
3.2 |
0.472 |
4 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]A:515 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
18101 |
101.3 |
4.0 |
0.693 |
5 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]A:507 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
18101 |
97.0 |
3.0 |
0.475 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:513 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
18101 |
86.2 |
2.7 |
0.513 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]B:513 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
18076 |
84.8 |
2.7 |
0.520 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]B:505 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
18076 |
83.4 |
2.0 |
0.282 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
18076 |
75.4 |
1.3 |
0.259 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
18101 |
75.0 |
1.4 |
0.259 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]A:514 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
18076 |
73.7 |
2.6 |
0.636 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]A:512 |
3 |
1 |
183 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
18101 |
73.7 |
2.0 |
0.534 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]B:507 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
18101 |
73.7 |
2.6 |
0.638 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]A:514 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18101 |
73.0 |
1.5 |
0.243 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]B:507 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18076 |
72.9 |
1.6 |
0.247 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:509 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
18101 |
72.3 |
2.0 |
0.492 |
2 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]B:512 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
18076 |
71.1 |
2.1 |
0.274 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]B:504 |
4 |
1 |
183 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
18076 |
70.4 |
2.1 |
0.272 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18101 |
69.8 |
0.6 |
0.611 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]A:511 |
4 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
18101 |
67.9 |
2.0 |
0.271 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]A:508 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18101 |
66.1 |
1.4 |
0.249 |
2 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18076 |
65.3 |
0.4 |
0.640 |
1 |
0 |
0 |
0.027 |
36 |
41 |
|
[EDO]B:511 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
18076 |
65.1 |
1.8 |
0.282 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[EDO]B:506 |
3 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
3 |
18076 |
65.1 |
2.1 |
0.571 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]A:505 |
3 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
3 |
18101 |
64.8 |
2.0 |
0.568 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[EDO]A:509 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18076 |
63.0 |
1.1 |
0.745 |
1 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]A:508 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
18076 |
60.8 |
1.2 |
0.723 |
2 |
0 |
0 |
0.000 |
41 |
46 |
|
[EDO]B:513 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18101 |
55.3 |
1.6 |
0.293 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[EDO]A:513 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
18076 |
55.0 |
1.6 |
0.292 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[EDO]B:511 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18101 |
50.1 |
1.3 |
0.595 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[EDO]A:512 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
18076 |
45.9 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[EDO]B:512 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18101 |
45.5 |
0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[EDO]A:506 |
3 |
1 |
183 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
4 |
1 |
873 |
38.1 |
0.5 |
0.617 |
1 |
0 |
0 |
0.000 |
47 |
52 |
|
[EDO]B:510 |
4 |
1 |
184 |
f |
[NDP]B:501 |
x,y,z |
1_555 |
5 |
1 |
874 |
35.6 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:510 |
4 |
1 |
184 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
5 |
1 |
873 |
34.9 |
0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
Average: |
35.3 |
0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
[SSN]A:502 |
2 |
1 |
245 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
3 |
1 |
873 |
30.5 |
0.5 |
0.383 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[EDO]A:512 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18101 |
29.8 |
1.0 |
0.949 |
1 |
0 |
0 |
0.000 |
50 |
56 |
|
[SSN]B:502 |
2 |
1 |
244 |
f |
[NDP]B:501 |
x,y,z |
1_555 |
3 |
1 |
874 |
29.8 |
0.5 |
0.377 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[EDO]B:512 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18076 |
29.4 |
0.9 |
0.971 |
1 |
0 |
0 |
0.000 |
52 |
58 |
|
[EDO]A:509 |
3 |
1 |
185 |
f |
[EDO]A:508 |
x,y,z |
1_555 |
3 |
1 |
181 |
26.9 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[EDO]B:506 |
3 |
1 |
185 |
f |
[EDO]B:504 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.4 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[EDO]A:507 |
2 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
18076 |
26.2 |
0.4 |
0.256 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.4 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[EDO]A:507 |
2 |
1 |
183 |
f |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
18076 |
21.7 |
0.2 |
0.754 |
1 |
0 |
0 |
0.069 |
57 |
63 |
|
A |
2 |
2 |
18101 |
f |
[EDO]B:505 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
184 |
12.5 |
0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[EDO]A:515 |
1 |
1 |
186 |
f |
[NDP]A:501 |
x,y,z |
1_555 |
2 |
1 |
873 |
9.2 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[EDO]A:503 |
3 |
1 |
183 |
f |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
18076 |
7.7 |
0.3 |
0.911 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
1 |
1 |
18101 |
f |
[EDO]B:503 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
184 |
7.4 |
0.3 |
0.910 |
0 |
0 |
0 |
0.000 |
Average: |
7.5 |
0.3 |
0.910 |
0 |
0 |
0 |
0.000 |
|