## |
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 |
|
C |
52 |
17 |
6858 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
50 |
18 |
6747 |
467.9 |
-5.6 |
0.211 |
3 |
6 |
0 |
0.000 |
2 |
|
D |
50 |
17 |
6839 |
◊ |
B |
x,y,z |
1_555 |
49 |
17 |
6516 |
445.2 |
-5.8 |
0.159 |
4 |
6 |
0 |
0.000 |
Average: |
456.6 |
-5.7 |
0.185 |
4 |
6 |
0 |
0.000 |
2 |
3 |
|
B |
41 |
13 |
6516 |
◊ |
A |
x,y,z |
1_555 |
42 |
10 |
6747 |
347.1 |
-1.3 |
0.423 |
1 |
2 |
0 |
0.000 |
4 |
|
C |
35 |
13 |
6858 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
36 |
10 |
6839 |
320.4 |
-2.3 |
0.368 |
2 |
1 |
0 |
0.000 |
Average: |
333.7 |
-1.8 |
0.396 |
2 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
35 |
11 |
6858 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
6747 |
302.0 |
2.2 |
0.806 |
1 |
2 |
0 |
0.000 |
6 |
|
B |
30 |
10 |
6516 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
30 |
10 |
6839 |
249.2 |
1.8 |
0.745 |
1 |
1 |
0 |
0.000 |
Average: |
275.6 |
2.0 |
0.775 |
1 |
2 |
0 |
0.000 |
4 |
7 |
|
D |
32 |
9 |
6839 |
x |
D |
x-1,y,z |
1_455 |
27 |
10 |
6839 |
272.1 |
-1.3 |
0.321 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[K6V]D:206 |
10 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
31 |
11 |
6839 |
185.9 |
-0.4 |
0.541 |
0 |
0 |
0 |
0.007 |
6 |
9 |
|
C |
19 |
6 |
6858 |
x |
C |
x-1,y,z |
1_455 |
23 |
9 |
6858 |
182.4 |
-1.0 |
0.257 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
20 |
7 |
6858 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
21 |
7 |
6839 |
157.7 |
-0.7 |
0.487 |
0 |
1 |
0 |
0.000 |
11 |
|
A |
15 |
7 |
6747 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
6 |
6516 |
112.4 |
-1.5 |
0.304 |
0 |
0 |
0 |
0.000 |
Average: |
135.0 |
-1.1 |
0.396 |
0 |
1 |
0 |
0.000 |
8 |
12 |
|
A |
14 |
4 |
6747 |
◊ |
B |
x-1,y,z-1 |
1_454 |
11 |
5 |
6516 |
108.0 |
-0.3 |
0.409 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]C:205 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
6858 |
100.8 |
3.8 |
0.500 |
0 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:203 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
6747 |
98.5 |
3.6 |
0.488 |
1 |
0 |
0 |
0.000 |
Average: |
99.6 |
3.7 |
0.494 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]D:205 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
6839 |
98.5 |
3.7 |
0.485 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]C:204 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
6858 |
87.6 |
2.4 |
0.264 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
14 |
5 |
6858 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
6516 |
87.4 |
1.3 |
0.728 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]C:206 |
4 |
1 |
184 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
15 |
6 |
6747 |
84.2 |
2.4 |
0.283 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]C:207 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
6858 |
78.5 |
2.4 |
0.396 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:207 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6516 |
74.2 |
2.0 |
0.255 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]D:202 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6839 |
72.8 |
1.9 |
0.282 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:202 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6516 |
63.8 |
1.6 |
0.281 |
1 |
0 |
0 |
0.000 |
Average: |
68.3 |
1.8 |
0.281 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[NA]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
6858 |
72.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.211 |
24 |
|
[NA]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
6747 |
68.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.211 |
25 |
|
[NA]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
6839 |
63.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.211 |
Average: |
68.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.211 |
18 |
26 |
|
B |
9 |
4 |
6516 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
6747 |
72.7 |
-0.4 |
0.256 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[EDO]B:206 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6516 |
69.4 |
1.6 |
0.689 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[EDO]B:203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
6516 |
67.4 |
2.0 |
0.289 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]C:203 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
6858 |
66.9 |
1.9 |
0.294 |
1 |
0 |
0 |
0.000 |
Average: |
67.1 |
1.9 |
0.292 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]A:205 |
4 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
5 |
6516 |
66.1 |
1.9 |
0.814 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]C:202 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
6858 |
64.4 |
1.6 |
0.284 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]B:207 |
4 |
1 |
185 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
6 |
3 |
6839 |
64.3 |
2.3 |
0.937 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[EDO]C:207 |
4 |
1 |
183 |
f |
D |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
3 |
6839 |
63.1 |
0.9 |
0.617 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[EDO]D:203 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
6839 |
62.6 |
1.7 |
0.280 |
1 |
0 |
0 |
0.000 |
26 |
35 |
|
[EDO]B:204 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
6516 |
61.1 |
1.6 |
0.284 |
1 |
0 |
0 |
0.000 |
27 |
36 |
|
[EDO]A:202 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6747 |
60.7 |
1.7 |
0.286 |
1 |
0 |
0 |
0.000 |
28 |
37 |
|
[EDO]A:204 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6516 |
60.1 |
2.0 |
0.265 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[EDO]B:206 |
4 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
10 |
3 |
6747 |
59.5 |
1.3 |
0.624 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[EDO]A:204 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6747 |
59.3 |
1.2 |
0.802 |
1 |
0 |
0 |
0.000 |
31 |
40 |
|
[EDO]C:206 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6858 |
58.0 |
1.3 |
0.687 |
1 |
0 |
0 |
0.000 |
32 |
41 |
|
[EDO]D:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6516 |
58.0 |
1.6 |
0.802 |
1 |
0 |
0 |
0.000 |
42 |
|
[EDO]B:202 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
6839 |
50.9 |
1.5 |
0.808 |
1 |
0 |
0 |
0.000 |
Average: |
54.5 |
1.6 |
0.805 |
1 |
0 |
0 |
0.000 |
33 |
43 |
|
[EDO]B:205 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
6747 |
57.3 |
1.4 |
0.702 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[EDO]D:204 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6839 |
56.7 |
1.3 |
0.687 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[EDO]A:205 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
6747 |
53.6 |
1.1 |
0.218 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[EDO]C:202 |
4 |
1 |
186 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
7 |
4 |
6747 |
52.3 |
1.5 |
0.815 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[EDO]C:203 |
4 |
1 |
184 |
f |
A |
-x-1,y-1/2,-z |
2_445 |
6 |
3 |
6747 |
51.7 |
1.3 |
0.795 |
1 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:203 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
6839 |
51.1 |
1.2 |
0.769 |
1 |
0 |
0 |
0.000 |
Average: |
51.4 |
1.2 |
0.782 |
1 |
0 |
0 |
0.000 |
38 |
49 |
|
[EDO]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6516 |
49.0 |
1.4 |
0.832 |
1 |
0 |
0 |
0.000 |
39 |
50 |
|
C |
9 |
4 |
6858 |
◊ |
[EDO]D:204 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
183 |
48.4 |
1.3 |
0.834 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
C |
6 |
3 |
6858 |
f |
[EDO]C:204 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
47.0 |
0.6 |
0.507 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
C |
4 |
2 |
6858 |
f |
[EDO]A:202 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
184 |
32.5 |
0.7 |
0.383 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[EDO]D:203 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
6516 |
31.1 |
0.6 |
0.374 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[EDO]B:204 |
2 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
6839 |
30.3 |
0.6 |
0.383 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[EDO]D:202 |
3 |
1 |
186 |
f |
[EDO]B:204 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.6 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[EDO]C:203 |
2 |
1 |
184 |
◊ |
[EDO]D:204 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
183 |
26.4 |
1.4 |
0.707 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[EDO]C:202 |
3 |
1 |
186 |
◊ |
[EDO]A:202 |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
184 |
26.3 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[EDO]B:205 |
2 |
1 |
184 |
◊ |
[EDO]B:203 |
x,y,z |
1_555 |
2 |
1 |
183 |
25.6 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[EDO]D:203 |
3 |
1 |
184 |
f |
[EDO]B:202 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.4 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
D |
6 |
3 |
6839 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6747 |
24.0 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
50 |
61 |
|
[EDO]D:204 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6747 |
22.5 |
0.6 |
0.429 |
0 |
0 |
0 |
0.000 |
51 |
62 |
|
[EDO]B:205 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
6839 |
22.1 |
0.6 |
0.601 |
0 |
0 |
0 |
0.000 |
52 |
63 |
|
[EDO]C:203 |
4 |
1 |
184 |
◊ |
[EDO]A:203 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
184 |
20.5 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
64 |
|
[EDO]B:203 |
2 |
1 |
183 |
◊ |
[EDO]B:202 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.4 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
[EDO]C:206 |
4 |
1 |
184 |
◊ |
[EDO]C:205 |
x,y,z |
1_555 |
1 |
1 |
184 |
20.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
[EDO]C:203 |
2 |
1 |
184 |
◊ |
[EDO]C:202 |
x,y,z |
1_555 |
3 |
1 |
186 |
20.1 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[EDO]D:205 |
1 |
1 |
183 |
◊ |
[EDO]B:203 |
x,y,z |
1_555 |
3 |
1 |
183 |
19.5 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
68 |
|
C |
1 |
1 |
6858 |
◊ |
A |
-x-2,y-1/2,-z |
2_345 |
2 |
1 |
6747 |
13.0 |
-0.3 |
0.262 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[EDO]D:205 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6747 |
11.0 |
0.5 |
0.971 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[EDO]A:203 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6839 |
11.0 |
0.5 |
0.969 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
[EDO]A:204 |
1 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
6858 |
7.5 |
0.2 |
0.882 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
B |
2 |
2 |
6516 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
6839 |
7.2 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[EDO]D:204 |
1 |
1 |
183 |
◊ |
[EDO]A:203 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[EDO]B:205 |
2 |
1 |
184 |
f |
[EDO]B:202 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[EDO]D:205 |
1 |
1 |
183 |
f |
[EDO]B:205 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.0 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
76 |
|
[EDO]C:202 |
1 |
1 |
186 |
f |
[EDO]D:204 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
183 |
3.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
77 |
|
A |
1 |
1 |
6747 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
6839 |
3.0 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
67 |
78 |
|
[EDO]D:205 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6516 |
2.3 |
0.1 |
0.884 |
0 |
0 |
0 |
0.000 |
68 |
79 |
|
C |
1 |
1 |
6858 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
6516 |
2.0 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
69 |
80 |
|
C |
1 |
1 |
6858 |
f |
[EDO]A:203 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
184 |
1.7 |
0.1 |
0.870 |
0 |
0 |
0 |
0.000 |
81 |
|
[EDO]C:205 |
2 |
1 |
184 |
f |
A |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
6747 |
0.6 |
0.0 |
0.838 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
0.1 |
0.854 |
0 |
0 |
0 |
0.000 |
70 |
82 |
|
A |
1 |
1 |
6747 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
6747 |
0.6 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
|