| ## |
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 |
|
D |
187 |
47 |
11443 |
◊ |
C |
x,y,z |
1_555 |
189 |
46 |
11374 |
1755.6 |
-20.0 |
0.103 |
24 |
6 |
0 |
0.625 |
2 |
|
B |
189 |
47 |
11415 |
◊ |
A |
x,y,z |
1_555 |
187 |
45 |
11418 |
1755.4 |
-19.9 |
0.103 |
24 |
6 |
0 |
0.625 |
| Average: |
1755.5 |
-19.9 |
0.103 |
24 |
6 |
0 |
0.625 |
| 2 |
3 |
|
D |
132 |
34 |
11443 |
◊ |
B |
x,y,z |
1_555 |
133 |
34 |
11415 |
1306.2 |
-12.4 |
0.181 |
19 |
10 |
0 |
0.471 |
4 |
|
C |
132 |
34 |
11374 |
◊ |
A |
x,y,z |
1_555 |
133 |
34 |
11418 |
1299.1 |
-12.7 |
0.186 |
22 |
10 |
0 |
0.471 |
| Average: |
1302.7 |
-12.6 |
0.183 |
21 |
10 |
0 |
0.471 |
| 3 |
5 |
|
D |
35 |
9 |
11443 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
40 |
12 |
11418 |
343.9 |
0.1 |
0.669 |
2 |
10 |
0 |
0.000 |
6 |
|
C |
42 |
12 |
11374 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
35 |
11 |
11415 |
328.5 |
-1.1 |
0.575 |
2 |
3 |
0 |
0.000 |
| Average: |
336.2 |
-0.5 |
0.622 |
2 |
7 |
0 |
0.000 |
| 4 |
7 |
|
C |
28 |
12 |
11374 |
◊ |
B |
-x+5/2,-y+2,z-1/2 |
2_774 |
32 |
10 |
11415 |
296.4 |
-1.1 |
0.568 |
4 |
0 |
0 |
0.000 |
8 |
|
A |
31 |
10 |
11418 |
◊ |
D |
-x+5/2,-y+2,z-1/2 |
2_774 |
27 |
12 |
11443 |
295.0 |
-1.1 |
0.557 |
4 |
0 |
0 |
0.000 |
| Average: |
295.7 |
-1.1 |
0.562 |
4 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[GOL]C:305 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
23 |
12 |
11374 |
148.0 |
-0.6 |
0.510 |
5 |
0 |
0 |
0.056 |
| 6 |
10 |
|
[GOL]A:303 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
11418 |
146.1 |
-0.6 |
0.578 |
6 |
0 |
0 |
0.055 |
| 7 |
11 |
|
[GOL]A:306 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
11418 |
145.7 |
-0.9 |
0.540 |
2 |
0 |
0 |
0.030 |
| 8 |
12 |
|
[GOL]C:304 |
6 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
11374 |
144.2 |
-1.0 |
0.510 |
3 |
0 |
0 |
0.047 |
| 9 |
13 |
|
[GOL]D:302 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
11443 |
142.0 |
-0.3 |
0.612 |
5 |
0 |
0 |
0.053 |
| 10 |
14 |
|
[GOL]B:303 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
11415 |
141.8 |
-0.4 |
0.617 |
5 |
0 |
0 |
0.054 |
| 11 |
15 |
|
[GOL]D:301 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
11443 |
122.3 |
-0.8 |
0.515 |
4 |
0 |
0 |
0.097 |
16 |
|
[GOL]C:302 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
11374 |
115.2 |
-1.0 |
0.489 |
3 |
0 |
0 |
0.097 |
17 |
|
[GOL]A:305 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
11418 |
114.9 |
-1.0 |
0.483 |
3 |
0 |
0 |
0.097 |
| Average: |
117.5 |
-0.9 |
0.496 |
3 |
0 |
0 |
0.097 |
| 12 |
18 |
|
[GOL]B:302 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
11415 |
121.1 |
-0.8 |
0.497 |
3 |
0 |
0 |
0.046 |
| 13 |
19 |
|
[GOL]D:304 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
11443 |
119.7 |
-0.4 |
0.518 |
4 |
0 |
0 |
0.045 |
| 14 |
20 |
|
C |
11 |
3 |
11374 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
11418 |
113.8 |
-0.2 |
0.603 |
2 |
0 |
0 |
0.000 |
| 15 |
21 |
|
D |
9 |
5 |
11443 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
5 |
11415 |
112.4 |
2.4 |
0.913 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[GOL]B:304 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
11415 |
103.6 |
0.1 |
0.628 |
4 |
0 |
0 |
0.072 |
23 |
|
[GOL]A:304 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11418 |
103.1 |
0.1 |
0.639 |
4 |
0 |
0 |
0.072 |
24 |
|
[GOL]D:303 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
11443 |
101.6 |
0.1 |
0.633 |
4 |
0 |
0 |
0.072 |
| Average: |
102.8 |
0.1 |
0.633 |
4 |
0 |
0 |
0.072 |
| 17 |
25 |
|
[GOL]C:303 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
11374 |
101.5 |
0.0 |
0.637 |
4 |
0 |
0 |
0.034 |
| 18 |
26 |
|
[GOL]A:308 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
11415 |
82.1 |
0.4 |
0.631 |
2 |
0 |
0 |
0.007 |
| 19 |
27 |
|
[GOL]C:306 |
6 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
11443 |
79.9 |
1.1 |
0.759 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[GOL]A:307 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
11418 |
78.4 |
0.9 |
0.744 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[GOL]D:306 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
11374 |
76.3 |
0.9 |
0.754 |
1 |
0 |
0 |
0.000 |
| 22 |
30 |
|
D |
6 |
3 |
11443 |
◊ |
[GOL]B:305 |
x-1/2,-y+5/2,-z |
4_475 |
5 |
1 |
222 |
75.3 |
2.0 |
0.670 |
2 |
0 |
0 |
0.000 |
31 |
|
[GOL]D:305 |
5 |
1 |
220 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
6 |
3 |
11415 |
75.0 |
1.6 |
0.641 |
2 |
0 |
0 |
0.000 |
| Average: |
75.2 |
1.8 |
0.656 |
2 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[PO4]B:301 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11415 |
70.4 |
-4.0 |
0.787 |
1 |
0 |
0 |
0.093 |
| 24 |
33 |
|
[PO4]A:302 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11418 |
70.3 |
-3.8 |
0.788 |
2 |
0 |
0 |
0.081 |
| 25 |
34 |
|
[GOL]D:306 |
4 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11443 |
67.7 |
0.1 |
0.649 |
2 |
0 |
0 |
0.017 |
| 26 |
35 |
|
[GOL]C:306 |
4 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11374 |
67.4 |
-0.3 |
0.556 |
1 |
0 |
0 |
0.014 |
| 27 |
36 |
|
[GOL]A:307 |
4 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11415 |
66.5 |
0.1 |
0.648 |
2 |
0 |
0 |
0.017 |
| 28 |
37 |
|
[GOL]A:308 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11418 |
66.0 |
0.3 |
0.647 |
3 |
0 |
0 |
0.018 |
| 29 |
38 |
|
[PO4]C:301 |
4 |
1 |
187 |
f |
A |
x-1/2,-y+5/2,-z |
4_475 |
6 |
3 |
11418 |
64.3 |
-2.1 |
0.960 |
3 |
0 |
0 |
0.059 |
| 30 |
39 |
|
C |
6 |
3 |
11374 |
◊ |
[PO4]A:301 |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
189 |
61.5 |
-2.2 |
0.959 |
3 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[GOL]D:303 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11415 |
59.6 |
-1.0 |
0.338 |
1 |
0 |
0 |
0.059 |
41 |
|
[GOL]A:304 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11374 |
59.0 |
-0.9 |
0.351 |
1 |
0 |
0 |
0.059 |
42 |
|
[GOL]B:304 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11443 |
58.6 |
-0.9 |
0.346 |
1 |
0 |
0 |
0.059 |
| Average: |
59.0 |
-0.9 |
0.345 |
1 |
0 |
0 |
0.059 |
| 32 |
43 |
|
[GOL]C:303 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11418 |
58.4 |
-1.0 |
0.347 |
1 |
0 |
0 |
0.024 |
| 33 |
44 |
|
[PO4]A:301 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11418 |
55.3 |
-3.2 |
0.605 |
1 |
0 |
0 |
0.061 |
| 34 |
45 |
|
[GOL]B:305 |
5 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
11415 |
54.5 |
0.4 |
0.641 |
2 |
0 |
0 |
0.019 |
46 |
|
[GOL]D:305 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
11443 |
50.4 |
0.5 |
0.642 |
2 |
0 |
0 |
0.019 |
| Average: |
52.5 |
0.4 |
0.641 |
2 |
0 |
0 |
0.019 |
| 35 |
47 |
|
C |
6 |
2 |
11374 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11415 |
53.6 |
-1.1 |
0.286 |
0 |
0 |
0 |
0.012 |
48 |
|
D |
5 |
2 |
11443 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11418 |
52.2 |
-1.1 |
0.266 |
0 |
0 |
0 |
0.012 |
| Average: |
52.9 |
-1.1 |
0.276 |
0 |
0 |
0 |
0.012 |
| 36 |
49 |
|
[PO4]A:302 |
4 |
1 |
188 |
◊ |
D |
-x+5/2,-y+2,z-1/2 |
2_774 |
7 |
3 |
11443 |
50.9 |
-2.9 |
0.722 |
0 |
0 |
0 |
0.000 |
| 37 |
50 |
|
[PO4]C:301 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11374 |
49.5 |
-3.0 |
0.620 |
1 |
0 |
0 |
0.000 |
| 38 |
51 |
|
C |
8 |
3 |
11374 |
◊ |
[PO4]B:301 |
-x+5/2,-y+2,z-1/2 |
2_774 |
4 |
1 |
188 |
46.3 |
-2.7 |
0.719 |
0 |
0 |
0 |
0.000 |
| 39 |
52 |
|
[GOL]D:305 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
11374 |
43.3 |
1.1 |
0.761 |
2 |
0 |
0 |
0.000 |
53 |
|
[GOL]B:305 |
4 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11418 |
41.9 |
0.7 |
0.660 |
0 |
0 |
0 |
0.000 |
| Average: |
42.6 |
0.9 |
0.710 |
1 |
0 |
0 |
0.000 |
| 40 |
54 |
|
[PO4]A:301 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11415 |
31.8 |
-0.9 |
0.930 |
2 |
0 |
0 |
0.025 |
| 41 |
55 |
|
[GOL]D:305 |
3 |
1 |
220 |
◊ |
[PO4]A:301 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
189 |
31.6 |
-1.0 |
0.846 |
1 |
0 |
0 |
0.000 |
| 42 |
56 |
|
[PO4]C:301 |
3 |
1 |
187 |
◊ |
[GOL]B:305 |
x-1/2,-y+5/2,-z |
4_475 |
3 |
1 |
222 |
29.9 |
-1.8 |
0.558 |
0 |
0 |
0 |
0.027 |
| 43 |
57 |
|
[PO4]C:301 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11443 |
28.3 |
-0.4 |
0.959 |
1 |
0 |
0 |
0.000 |
| 44 |
58 |
|
A |
2 |
1 |
11418 |
◊ |
B |
-x+5/2,-y+2,z-1/2 |
2_774 |
2 |
1 |
11415 |
27.0 |
0.2 |
0.748 |
1 |
0 |
0 |
0.000 |
| 45 |
59 |
|
[GOL]B:304 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11418 |
24.4 |
0.3 |
0.717 |
1 |
0 |
0 |
0.003 |
60 |
|
[GOL]D:303 |
2 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11374 |
23.9 |
0.3 |
0.722 |
1 |
0 |
0 |
0.003 |
61 |
|
[GOL]A:304 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11415 |
23.4 |
0.3 |
0.720 |
1 |
0 |
0 |
0.003 |
| Average: |
23.9 |
0.3 |
0.720 |
1 |
0 |
0 |
0.003 |
| 46 |
62 |
|
[GOL]C:303 |
3 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11443 |
23.0 |
0.3 |
0.717 |
1 |
0 |
0 |
0.002 |
| 47 |
63 |
|
C |
2 |
1 |
11374 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
2 |
1 |
11418 |
21.7 |
0.9 |
0.810 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
1 |
1 |
11374 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
11418 |
19.4 |
0.7 |
0.715 |
0 |
0 |
0 |
0.000 |
| Average: |
20.5 |
0.8 |
0.762 |
0 |
0 |
0 |
0.000 |
| 48 |
65 |
|
D |
2 |
1 |
11443 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
11415 |
13.7 |
0.9 |
0.920 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
1 |
1 |
11443 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
2 |
1 |
11415 |
12.0 |
0.7 |
0.904 |
0 |
0 |
0 |
0.000 |
| Average: |
12.9 |
0.8 |
0.912 |
0 |
0 |
0 |
0.000 |
| 49 |
67 |
|
[PO4]C:301 |
2 |
1 |
187 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
3 |
2 |
11415 |
6.4 |
-0.2 |
0.822 |
0 |
0 |
0 |
0.004 |
| 50 |
68 |
|
D |
1 |
1 |
11443 |
◊ |
[GOL]A:303 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
220 |
4.7 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
| 51 |
69 |
|
[GOL]D:305 |
1 |
1 |
220 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
11418 |
4.4 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
2 |
1 |
11374 |
◊ |
[GOL]B:305 |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
222 |
3.1 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
| 52 |
71 |
|
[GOL]D:302 |
1 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11418 |
4.1 |
-0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| 53 |
72 |
|
[GOL]C:305 |
1 |
1 |
218 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
11415 |
4.1 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 54 |
73 |
|
[GOL]B:303 |
1 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11374 |
3.8 |
-0.0 |
0.432 |
0 |
0 |
0 |
0.000 |
| 55 |
74 |
|
C |
1 |
1 |
11374 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
2 |
2 |
11415 |
3.7 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
75 |
|
D |
1 |
1 |
11443 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
11418 |
1.4 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
| Average: |
2.5 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
| 56 |
76 |
|
[GOL]A:306 |
1 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11443 |
2.2 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| 57 |
77 |
|
[GOL]C:304 |
1 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11415 |
2.0 |
-0.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 58 |
78 |
|
[GOL]C:303 |
1 |
1 |
217 |
◊ |
[GOL]A:306 |
x,y,z |
1_555 |
1 |
1 |
212 |
1.7 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 59 |
79 |
|
[GOL]A:306 |
1 |
1 |
212 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11374 |
0.1 |
0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
|