| ## |
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 |
186 |
49 |
15148 |
◊ |
A |
x,y,z |
1_555 |
176 |
50 |
15229 |
1809.6 |
-22.4 |
0.082 |
13 |
0 |
0 |
1.000 |
2 |
|
D |
176 |
49 |
15166 |
◊ |
C |
x,y,z |
1_555 |
177 |
49 |
15286 |
1764.8 |
-22.1 |
0.083 |
14 |
0 |
0 |
1.000 |
| Average: |
1787.2 |
-22.2 |
0.082 |
14 |
0 |
0 |
1.000 |
| 2 |
3 |
|
D |
80 |
25 |
15166 |
◊ |
B |
x,y,z |
1_555 |
77 |
24 |
15148 |
715.1 |
-4.2 |
0.556 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
75 |
17 |
15286 |
◊ |
C |
-x+1,-y,z |
2_655 |
75 |
17 |
15286 |
690.7 |
-12.8 |
0.052 |
2 |
0 |
0 |
0.262 |
5 |
|
A |
71 |
17 |
15229 |
◊ |
A |
-x+1,-y,z |
2_655 |
71 |
17 |
15229 |
684.7 |
-10.1 |
0.115 |
2 |
0 |
0 |
0.262 |
| Average: |
687.7 |
-11.5 |
0.084 |
2 |
0 |
0 |
0.262 |
| 4 |
6 |
|
C |
67 |
22 |
15286 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
64 |
18 |
15166 |
605.3 |
-3.6 |
0.435 |
2 |
4 |
0 |
0.000 |
7 |
|
B |
59 |
18 |
15148 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
52 |
20 |
15229 |
542.9 |
-0.6 |
0.747 |
1 |
3 |
0 |
0.000 |
| Average: |
574.1 |
-2.1 |
0.591 |
2 |
4 |
0 |
0.000 |
| 5 |
8 |
|
[6D3]B:501 |
40 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
96 |
38 |
15148 |
593.6 |
-2.8 |
0.381 |
3 |
0 |
0 |
1.000 |
9 |
|
[6D3]C:501 |
39 |
1 |
831 |
f |
C |
x,y,z |
1_555 |
97 |
37 |
15286 |
591.9 |
-3.2 |
0.401 |
3 |
0 |
0 |
1.000 |
10 |
|
[6D3]D:501 |
40 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
93 |
37 |
15166 |
589.9 |
-2.8 |
0.399 |
3 |
0 |
0 |
1.000 |
11 |
|
[6D3]A:501 |
40 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
96 |
36 |
15229 |
588.8 |
-2.8 |
0.448 |
4 |
0 |
0 |
1.000 |
| Average: |
591.1 |
-2.9 |
0.408 |
3 |
0 |
0 |
1.000 |
| 6 |
12 |
|
C |
38 |
13 |
15286 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
15 |
15166 |
397.3 |
-1.0 |
0.641 |
1 |
2 |
0 |
0.000 |
| 7 |
13 |
|
B |
43 |
10 |
15148 |
◊ |
A |
-x+1,-y,z |
2_655 |
41 |
11 |
15229 |
376.7 |
-3.5 |
0.335 |
0 |
0 |
0 |
0.141 |
14 |
|
D |
44 |
11 |
15166 |
◊ |
C |
-x+1,-y,z |
2_655 |
39 |
11 |
15286 |
352.1 |
-4.8 |
0.232 |
0 |
0 |
0 |
0.141 |
| Average: |
364.4 |
-4.1 |
0.284 |
0 |
0 |
0 |
0.141 |
| 8 |
15 |
|
D |
33 |
13 |
15166 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
26 |
11 |
15286 |
292.6 |
1.3 |
0.830 |
1 |
1 |
0 |
0.000 |
| 9 |
16 |
|
B |
32 |
13 |
15148 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
11 |
15229 |
266.4 |
-2.5 |
0.383 |
0 |
1 |
0 |
0.000 |
| 10 |
17 |
|
B |
19 |
8 |
15148 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
20 |
9 |
15229 |
189.9 |
1.0 |
0.814 |
0 |
1 |
0 |
0.000 |
| 11 |
18 |
|
[M2M]B:506 |
9 |
1 |
323 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
15148 |
175.5 |
6.2 |
0.302 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
C |
20 |
8 |
15286 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
15148 |
165.5 |
-1.2 |
0.519 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
18 |
6 |
15166 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
15229 |
163.4 |
-1.4 |
0.476 |
2 |
0 |
0 |
0.000 |
| Average: |
164.5 |
-1.3 |
0.498 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
B |
19 |
7 |
15148 |
◊ |
[PG4]A:511 |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
1 |
409 |
138.4 |
2.8 |
0.307 |
1 |
0 |
0 |
0.000 |
| 14 |
22 |
|
A |
16 |
6 |
15229 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
16 |
6 |
15229 |
136.4 |
1.9 |
0.894 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[PEG]A:508 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
15229 |
128.1 |
3.1 |
0.374 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[PG4]A:511 |
10 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15229 |
127.5 |
2.3 |
0.285 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[DXE]A:509 |
6 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15229 |
115.3 |
3.6 |
0.269 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
15229 |
113.7 |
2.4 |
0.414 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[EDO]D:504 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
25 |
7 |
15166 |
109.7 |
3.5 |
0.502 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[EDO]C:502 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
15286 |
109.6 |
3.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
15148 |
107.5 |
2.9 |
0.463 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[PEG]D:505 |
6 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
15166 |
102.7 |
2.4 |
0.345 |
2 |
0 |
0 |
0.000 |
| 23 |
31 |
|
B |
16 |
5 |
15148 |
◊ |
[DXE]A:510 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
254 |
98.9 |
3.7 |
0.345 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[EDO]D:503 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
15166 |
97.6 |
2.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[EDO]B:504 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
15148 |
96.6 |
2.5 |
0.479 |
1 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15229 |
93.9 |
2.6 |
0.290 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[PEG]B:505 |
5 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
15148 |
93.5 |
2.2 |
0.408 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[EDO]A:506 |
4 |
1 |
184 |
◊ |
A |
-x+1,-y,z |
2_655 |
17 |
5 |
15229 |
92.9 |
2.1 |
0.260 |
1 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[EDO]C:506 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
15286 |
91.4 |
2.1 |
0.276 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
15229 |
90.3 |
2.3 |
0.471 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
15148 |
89.5 |
2.3 |
0.276 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[EDO]D:502 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
4 |
15166 |
81.3 |
2.0 |
0.272 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[EDO]C:503 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
15286 |
73.0 |
1.5 |
0.734 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[PEG]A:507 |
6 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
15229 |
71.2 |
-0.1 |
0.145 |
1 |
0 |
0 |
0.123 |
| 35 |
43 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
15229 |
68.7 |
1.5 |
0.253 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[EDO]C:505 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15286 |
64.3 |
1.8 |
0.281 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[PEG]A:507 |
5 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
15166 |
63.7 |
2.2 |
0.386 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[EDO]C:504 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
15286 |
57.8 |
0.8 |
0.656 |
1 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[EDO]C:504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
15148 |
53.4 |
1.6 |
0.804 |
1 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[PEG]D:505 |
5 |
1 |
259 |
f |
[EDO]D:503 |
x,y,z |
1_555 |
4 |
1 |
183 |
42.0 |
2.2 |
0.284 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[EDO]A:506 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15229 |
41.6 |
1.8 |
0.966 |
1 |
0 |
0 |
0.000 |
| 42 |
50 |
|
[PEG]D:505 |
4 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
15148 |
33.3 |
0.1 |
0.136 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
[PEG]A:508 |
2 |
1 |
253 |
◊ |
A |
-x+1,-y,z |
2_655 |
2 |
1 |
15229 |
32.2 |
0.3 |
0.198 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[PG4]A:511 |
2 |
1 |
409 |
f |
[DXE]A:510 |
x,y,z |
1_555 |
1 |
1 |
254 |
30.1 |
1.8 |
0.361 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
[EDO]D:504 |
2 |
1 |
182 |
f |
[6D3]D:501 |
x,y,z |
1_555 |
3 |
1 |
819 |
26.9 |
0.7 |
0.737 |
1 |
0 |
0 |
0.000 |
| 46 |
54 |
|
[EDO]B:502 |
1 |
1 |
184 |
f |
[6D3]B:501 |
x,y,z |
1_555 |
3 |
1 |
819 |
26.9 |
0.6 |
0.738 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[EDO]A:502 |
2 |
1 |
183 |
f |
[6D3]A:501 |
x,y,z |
1_555 |
2 |
1 |
824 |
20.3 |
0.5 |
0.748 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
C |
3 |
1 |
15286 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
1 |
15229 |
16.7 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[EDO]C:502 |
2 |
1 |
183 |
f |
[6D3]C:501 |
x,y,z |
1_555 |
3 |
1 |
831 |
16.6 |
0.4 |
0.672 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
C |
2 |
2 |
15286 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
2 |
2 |
15286 |
12.7 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 51 |
59 |
|
[EDO]C:504 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
15166 |
9.3 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
[DXE]A:510 |
1 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15229 |
5.9 |
0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
| 53 |
61 |
|
[PEG]A:508 |
1 |
1 |
253 |
f |
[EDO]A:506 |
x,y,z |
1_555 |
2 |
1 |
184 |
3.4 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
| 54 |
62 |
|
[PEG]A:507 |
2 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15148 |
2.4 |
-0.0 |
0.271 |
0 |
0 |
0 |
0.011 |
| 55 |
63 |
|
A |
2 |
2 |
15229 |
◊ |
A |
-x+2,-y,z |
2_755 |
2 |
2 |
15229 |
1.2 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| 56 |
64 |
|
[M2M]B:506 |
1 |
1 |
323 |
f |
A |
-x+1,-y+1,z |
2_665 |
1 |
1 |
15229 |
0.4 |
0.0 |
0.858 |
0 |
0 |
0 |
0.000 |
|