| ## |
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 |
56 |
18 |
17043 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
17040 |
576.2 |
-0.1 |
0.565 |
8 |
5 |
0 |
0.000 |
| 2 |
2 |
|
B |
58 |
17 |
17043 |
x |
B |
x-1,y,z |
1_455 |
50 |
16 |
17043 |
493.6 |
2.0 |
0.714 |
7 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
39 |
11 |
17043 |
x |
B |
x-1,y-1,z |
1_445 |
51 |
14 |
17043 |
401.5 |
0.4 |
0.518 |
6 |
1 |
0 |
0.000 |
4 |
|
A |
36 |
11 |
17040 |
x |
A |
x,y-1,z |
1_545 |
52 |
13 |
17040 |
387.1 |
0.6 |
0.565 |
7 |
2 |
0 |
0.000 |
| Average: |
394.3 |
0.5 |
0.542 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
31 |
14 |
17040 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
11 |
17043 |
294.0 |
2.7 |
0.816 |
6 |
4 |
0 |
0.000 |
| 5 |
6 |
|
A |
23 |
9 |
17040 |
x |
A |
x-1,y,z |
1_455 |
24 |
11 |
17040 |
224.8 |
1.9 |
0.742 |
2 |
5 |
0 |
0.000 |
| 6 |
7 |
|
A |
14 |
6 |
17040 |
◊ |
B |
x-1,y-1,z |
1_445 |
17 |
6 |
17043 |
168.6 |
1.7 |
0.660 |
4 |
1 |
0 |
0.000 |
| 7 |
8 |
|
[AHR]B:1474 |
9 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
17043 |
159.3 |
0.1 |
0.452 |
3 |
0 |
0 |
0.003 |
9 |
|
[AHR]A:1473 |
9 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
17040 |
152.9 |
0.3 |
0.462 |
2 |
0 |
0 |
0.003 |
| Average: |
156.1 |
0.2 |
0.457 |
3 |
0 |
0 |
0.003 |
| 8 |
10 |
|
[AHR]B:1473 |
9 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
17043 |
146.2 |
-0.6 |
0.417 |
5 |
0 |
0 |
0.012 |
11 |
|
[AHR]A:1472 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
17040 |
145.3 |
0.0 |
0.547 |
5 |
0 |
0 |
0.012 |
| Average: |
145.8 |
-0.3 |
0.482 |
5 |
0 |
0 |
0.012 |
| 9 |
12 |
|
A |
12 |
4 |
17040 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
8 |
17043 |
145.7 |
-1.6 |
0.258 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[MPD]B:1483 |
6 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
17043 |
134.9 |
-9.0 |
0.609 |
2 |
0 |
0 |
0.013 |
| 11 |
14 |
|
[GOL]A:1476 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17040 |
127.4 |
0.5 |
0.624 |
5 |
0 |
0 |
0.009 |
15 |
|
[GOL]B:1482 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
17043 |
126.4 |
0.6 |
0.617 |
5 |
0 |
0 |
0.009 |
| Average: |
126.9 |
0.5 |
0.621 |
5 |
0 |
0 |
0.009 |
| 12 |
16 |
|
[GOL]A:1475 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
26 |
15 |
17040 |
126.0 |
-0.6 |
0.472 |
6 |
0 |
0 |
0.017 |
| 13 |
17 |
|
[AHR]A:1471 |
9 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17040 |
123.9 |
-0.5 |
0.480 |
0 |
0 |
0 |
0.002 |
18 |
|
[AHR]B:1472 |
9 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
17043 |
119.9 |
-0.5 |
0.344 |
0 |
0 |
0 |
0.002 |
| Average: |
121.9 |
-0.5 |
0.412 |
0 |
0 |
0 |
0.002 |
| 14 |
19 |
|
[GOL]B:1476 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
17043 |
123.2 |
-0.9 |
0.376 |
6 |
0 |
0 |
0.005 |
| 15 |
20 |
|
[PO4]B:1479 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
17043 |
104.5 |
-5.9 |
0.695 |
2 |
0 |
0 |
0.009 |
| 16 |
21 |
|
[TRS]A:1478 |
7 |
1 |
247 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
5 |
17043 |
96.8 |
2.2 |
0.034 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
A |
14 |
6 |
17040 |
f |
[GOL]B:1480 |
x-1,y,z |
1_455 |
6 |
1 |
212 |
96.4 |
-0.2 |
0.558 |
2 |
0 |
0 |
0.006 |
| 18 |
23 |
|
[GOL]A:1477 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17040 |
82.9 |
-0.6 |
0.492 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[NA]B:1477 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
17043 |
74.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 20 |
25 |
|
[TRS]A:1478 |
5 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17040 |
72.9 |
1.3 |
0.076 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[CL]A:1474 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17040 |
70.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.051 |
27 |
|
[CL]B:1475 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
17043 |
69.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
70.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 22 |
28 |
|
[CA]B:1471 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
17043 |
66.3 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 23 |
29 |
|
[CL]B:1478 |
1 |
1 |
125 |
f |
B |
x-1,y-1,z |
1_445 |
9 |
5 |
17043 |
58.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 24 |
30 |
|
A |
9 |
5 |
17040 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
9 |
5 |
17043 |
58.3 |
1.8 |
0.856 |
1 |
2 |
0 |
0.000 |
| 25 |
31 |
|
[GOL]A:1477 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17043 |
56.7 |
-0.7 |
0.421 |
1 |
0 |
0 |
0.001 |
| 26 |
32 |
|
[GOL]B:1480 |
4 |
1 |
212 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
17043 |
56.6 |
-0.3 |
0.511 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
A |
3 |
2 |
17040 |
◊ |
B |
x,y-1,z-1 |
1_544 |
4 |
2 |
17043 |
52.7 |
1.3 |
0.904 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[NA]B:1481 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
17043 |
52.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 29 |
35 |
|
[AHR]B:1473 |
4 |
1 |
265 |
cf |
[AHR]B:1472 |
x,y,z |
1_555 |
2 |
1 |
276 |
45.4 |
0.8 |
0.541 |
0 |
0 |
0 |
0.000 |
36 |
|
[AHR]A:1472 |
4 |
1 |
264 |
cf |
[AHR]A:1471 |
x,y,z |
1_555 |
2 |
1 |
275 |
44.1 |
0.7 |
0.565 |
0 |
0 |
0 |
0.000 |
| Average: |
44.8 |
0.7 |
0.553 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[AHR]A:1473 |
5 |
1 |
262 |
cf |
[AHR]A:1472 |
x,y,z |
1_555 |
4 |
1 |
264 |
44.3 |
1.1 |
0.543 |
0 |
0 |
0 |
0.000 |
38 |
|
[AHR]B:1474 |
5 |
1 |
263 |
cf |
[AHR]B:1473 |
x,y,z |
1_555 |
4 |
1 |
265 |
43.8 |
1.1 |
0.562 |
0 |
0 |
0 |
0.000 |
| Average: |
44.1 |
1.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[CL]B:1478 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
17043 |
40.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[GOL]B:1482 |
2 |
1 |
220 |
f |
[CL]B:1475 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.013 |
41 |
|
[GOL]A:1476 |
2 |
1 |
220 |
f |
[CL]A:1474 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
27.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.013 |
|