| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
[D12]A:1008 |
12 |
1 |
431 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
18641 |
223.2 |
4.8 |
0.274 |
0 |
0 |
0 |
0.000 |
2 |
|
[D12]A:1003 |
12 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
18641 |
206.6 |
2.0 |
0.124 |
0 |
0 |
0 |
0.000 |
3 |
|
A |
26 |
12 |
18641 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
26 |
12 |
18641 |
205.8 |
-0.2 |
0.813 |
0 |
0 |
0 |
0.000 |
4 |
|
[D12]A:1005 |
10 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
18641 |
184.6 |
2.7 |
0.219 |
0 |
0 |
0 |
0.000 |
5 |
|
[D12]A:1007 |
12 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
18641 |
178.7 |
4.6 |
0.237 |
0 |
0 |
0 |
0.000 |
6 |
|
[OCT]A:1001 |
8 |
1 |
324 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
18641 |
167.5 |
5.2 |
0.633 |
0 |
0 |
0 |
0.000 |
7 |
|
[OCT]A:1010 |
8 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
18641 |
166.9 |
5.0 |
0.621 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
22 |
7 |
18641 |
◊ |
A |
-x+2,y,-z |
3_755 |
22 |
7 |
18641 |
166.9 |
-1.6 |
0.583 |
4 |
0 |
0 |
0.000 |
9 |
|
[D12]A:1006 |
12 |
1 |
431 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
24 |
7 |
18641 |
159.3 |
4.3 |
0.221 |
0 |
0 |
0 |
0.000 |
10 |
|
[D12]A:1004 |
11 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
18641 |
137.3 |
-0.3 |
0.049 |
0 |
0 |
0 |
0.000 |
11 |
|
[D12]A:1006 |
9 |
1 |
431 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
18641 |
132.9 |
2.4 |
0.193 |
0 |
0 |
0 |
0.000 |
12 |
|
[D12]A:1002 |
11 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18641 |
130.0 |
2.6 |
0.132 |
0 |
0 |
0 |
0.000 |
13 |
|
[HEX]A:1016 |
6 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
18641 |
129.7 |
3.6 |
0.611 |
0 |
0 |
0 |
0.000 |
14 |
|
[HEX]A:1017 |
5 |
1 |
267 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
18641 |
119.1 |
3.8 |
0.086 |
0 |
0 |
0 |
0.000 |
15 |
|
[OCT]A:1011 |
8 |
1 |
323 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
18641 |
118.0 |
3.0 |
0.578 |
0 |
0 |
0 |
0.000 |
16 |
|
[OCT]A:1012 |
8 |
1 |
324 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
18641 |
109.2 |
2.6 |
0.535 |
0 |
0 |
0 |
0.000 |
17 |
|
[HEX]A:1018 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
18641 |
98.3 |
2.6 |
0.700 |
0 |
0 |
0 |
0.000 |
18 |
|
[OCT]A:1009 |
8 |
1 |
325 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
18641 |
91.1 |
2.3 |
0.580 |
0 |
0 |
0 |
0.000 |
19 |
|
[D12]A:1004 |
8 |
1 |
437 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
18 |
4 |
18641 |
90.0 |
2.7 |
0.294 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
9 |
3 |
18641 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
9 |
3 |
18641 |
81.6 |
-2.6 |
0.035 |
0 |
0 |
0 |
0.000 |
21 |
|
[D12]A:1005 |
8 |
1 |
433 |
◊ |
[D12]A:1002 |
x,-y+1,-z+1 |
4_566 |
10 |
1 |
436 |
80.7 |
3.9 |
0.034 |
0 |
0 |
0 |
0.000 |
22 |
|
[HEX]A:1015 |
6 |
1 |
270 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
11 |
3 |
18641 |
70.4 |
1.3 |
0.492 |
0 |
0 |
0 |
0.000 |
23 |
|
[D12]A:1005 |
7 |
1 |
433 |
f |
[D12]A:1004 |
x,y,z |
1_555 |
7 |
1 |
437 |
65.4 |
2.5 |
0.041 |
0 |
0 |
0 |
0.000 |
24 |
|
[D12]A:1003 |
5 |
1 |
435 |
◊ |
[OCT]A:1009 |
x,y,z |
1_555 |
4 |
1 |
325 |
64.6 |
4.3 |
0.402 |
0 |
0 |
0 |
0.000 |
25 |
|
[OCT]A:1012 |
6 |
1 |
324 |
◊ |
[OCT]A:1011 |
x,y,z |
1_555 |
4 |
1 |
323 |
62.7 |
4.1 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[HEX]A:1013 |
6 |
1 |
271 |
◊ |
[D12]A:1002 |
x,-y+1,-z+1 |
4_566 |
6 |
1 |
436 |
62.2 |
3.9 |
0.314 |
0 |
0 |
0 |
0.000 |
27 |
|
[OCT]A:1012 |
7 |
1 |
324 |
◊ |
[OCT]A:1009 |
x,-y+1,-z |
4_565 |
8 |
1 |
325 |
58.9 |
3.9 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[D12]A:1004 |
6 |
1 |
437 |
◊ |
[D12]A:1002 |
x,-y+1,-z+1 |
4_566 |
6 |
1 |
436 |
56.7 |
3.7 |
0.121 |
0 |
0 |
0 |
0.000 |
29 |
|
[HEX]A:1015 |
4 |
1 |
270 |
f |
[D12]A:1006 |
x,y,z |
1_555 |
5 |
1 |
431 |
56.2 |
3.7 |
0.397 |
0 |
0 |
0 |
0.000 |
30 |
|
[D12]A:1003 |
6 |
1 |
435 |
◊ |
[OCT]A:1011 |
x,-y+1,-z |
4_565 |
7 |
1 |
323 |
56.2 |
3.7 |
0.331 |
0 |
0 |
0 |
0.000 |
31 |
|
[HEX]A:1015 |
6 |
1 |
270 |
f |
[D12]A:1007 |
x,y,z |
1_555 |
6 |
1 |
433 |
55.6 |
3.7 |
0.314 |
0 |
0 |
0 |
0.000 |
32 |
|
[D12]A:1007 |
5 |
1 |
433 |
◊ |
[OCT]A:1014 |
x,y,z |
1_555 |
7 |
1 |
324 |
51.8 |
1.8 |
0.182 |
0 |
0 |
0 |
0.000 |
33 |
|
[D12]A:1004 |
6 |
1 |
437 |
◊ |
[D12]A:1004 |
x,-y+1,-z+1 |
4_566 |
6 |
1 |
437 |
51.3 |
2.6 |
0.068 |
0 |
0 |
0 |
0.000 |
34 |
|
[HEX]A:1015 |
4 |
1 |
270 |
◊ |
[OCT]A:1014 |
x,y,z |
1_555 |
6 |
1 |
324 |
49.3 |
3.3 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[HEX]A:1013 |
6 |
1 |
271 |
f |
[D12]A:1005 |
x,y,z |
1_555 |
5 |
1 |
433 |
46.4 |
3.0 |
0.352 |
0 |
0 |
0 |
0.000 |
36 |
|
[HEX]A:1017 |
5 |
1 |
267 |
◊ |
[OCT]A:1014 |
x,-y+1,-z+1 |
4_566 |
5 |
1 |
324 |
41.4 |
2.7 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[HEX]A:1013 |
3 |
1 |
271 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
3 |
2 |
18641 |
36.2 |
1.0 |
0.649 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
4 |
1 |
18641 |
◊ |
A |
x,-y+1,-z |
4_565 |
4 |
1 |
18641 |
33.9 |
-1.1 |
0.199 |
0 |
0 |
0 |
0.000 |
39 |
|
[OCT]A:1014 |
2 |
1 |
324 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
4 |
1 |
18641 |
30.9 |
1.2 |
0.892 |
0 |
0 |
0 |
0.000 |
40 |
|
[HEX]A:1013 |
3 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
18641 |
30.9 |
0.5 |
0.405 |
0 |
0 |
0 |
0.000 |
41 |
|
[HEX]A:1015 |
5 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
18641 |
29.4 |
0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
42 |
|
[D12]A:1007 |
4 |
1 |
433 |
f |
[D12]A:1006 |
x,y,z |
1_555 |
5 |
1 |
431 |
29.3 |
1.9 |
0.110 |
0 |
0 |
0 |
0.000 |
43 |
|
[D12]A:1007 |
2 |
1 |
433 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
2 |
2 |
18641 |
27.8 |
0.7 |
0.184 |
0 |
0 |
0 |
0.000 |
44 |
|
[OCT]A:1011 |
5 |
1 |
323 |
f |
A |
x,-y+1,-z |
4_565 |
2 |
1 |
18641 |
27.8 |
0.4 |
0.333 |
0 |
0 |
0 |
0.000 |
45 |
|
[D12]A:1003 |
3 |
1 |
435 |
f |
[OCT]A:1012 |
x,-y+1,-z |
4_565 |
3 |
1 |
324 |
24.8 |
1.6 |
0.440 |
0 |
0 |
0 |
0.000 |
46 |
|
[OCT]A:1011 |
3 |
1 |
323 |
◊ |
[OCT]A:1009 |
x,-y+1,-z |
4_565 |
4 |
1 |
325 |
23.8 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[D12]A:1007 |
3 |
1 |
433 |
f |
[D12]A:1002 |
x,y,z |
1_555 |
1 |
1 |
436 |
18.4 |
1.2 |
0.142 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
3 |
2 |
18641 |
◊ |
A |
-x+2,y,-z+1 |
3_756 |
3 |
2 |
18641 |
17.5 |
0.4 |
0.853 |
0 |
0 |
0 |
0.000 |
49 |
|
[D12]A:1002 |
1 |
1 |
436 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
18641 |
15.4 |
0.3 |
0.149 |
0 |
0 |
0 |
0.000 |
50 |
|
[HEX]A:1017 |
3 |
1 |
267 |
◊ |
[HEX]A:1015 |
x,-y+1,-z+1 |
4_566 |
3 |
1 |
270 |
14.2 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[D12]A:1007 |
2 |
1 |
433 |
f |
[D12]A:1004 |
x,y,z |
1_555 |
1 |
1 |
437 |
12.2 |
0.2 |
0.210 |
0 |
0 |
0 |
0.000 |
52 |
|
[OCT]A:1009 |
1 |
1 |
325 |
f |
A |
x,-y+1,-z |
4_565 |
2 |
1 |
18641 |
11.5 |
0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
53 |
|
[D12]A:1007 |
1 |
1 |
433 |
◊ |
[D12]A:1004 |
x,-y+1,-z+1 |
4_566 |
4 |
1 |
437 |
9.3 |
0.6 |
0.114 |
0 |
0 |
0 |
0.000 |
54 |
|
[OCT]A:1014 |
2 |
1 |
324 |
f |
A |
x,-y+1,-z+1 |
4_566 |
2 |
2 |
18641 |
8.4 |
0.3 |
0.862 |
0 |
0 |
0 |
0.000 |
55 |
|
[HEX]A:1018 |
1 |
1 |
271 |
f |
[OCT]A:1010 |
x,y,z |
1_555 |
2 |
1 |
322 |
3.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[OCT]A:1009 |
1 |
1 |
325 |
f |
[OCT]A:1001 |
x,y,z |
1_555 |
1 |
1 |
324 |
1.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|