| ## |
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 |
156 |
41 |
7065 |
◊ |
A |
x,y,z |
1_555 |
153 |
38 |
6850 |
1418.9 |
-25.2 |
0.096 |
13 |
0 |
0 |
1.000 |
| 2 |
2 |
|
A |
43 |
13 |
6850 |
◊ |
A |
-x,y,-z |
2_555 |
43 |
13 |
6850 |
401.8 |
-4.8 |
0.439 |
8 |
0 |
0 |
0.000 |
| 3 |
3 |
|
E |
37 |
5 |
4866 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
7065 |
286.3 |
-2.2 |
0.498 |
2 |
0 |
0 |
1.000 |
4 |
|
D |
30 |
5 |
4948 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
6850 |
224.4 |
-0.4 |
0.566 |
2 |
0 |
0 |
1.000 |
| Average: |
255.4 |
-1.3 |
0.532 |
2 |
0 |
0 |
1.000 |
| 4 |
5 |
|
[DUZ]D:25 |
28 |
1 |
592 |
cf |
D |
x,y,z |
1_555 |
39 |
5 |
4948 |
280.6 |
2.3 |
0.667 |
3 |
0 |
0 |
0.000 |
6 |
|
[DUZ]E:25 |
28 |
1 |
587 |
cf |
E |
x,y,z |
1_555 |
40 |
5 |
4866 |
267.8 |
2.3 |
0.660 |
4 |
0 |
0 |
0.000 |
| Average: |
274.2 |
2.3 |
0.663 |
4 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[DUZ]D:11 |
22 |
1 |
615 |
cf |
D |
x,y,z |
1_555 |
35 |
5 |
4948 |
248.0 |
2.2 |
0.668 |
2 |
0 |
0 |
0.000 |
8 |
|
[DUZ]E:11 |
22 |
1 |
599 |
cf |
E |
x,y,z |
1_555 |
38 |
5 |
4866 |
246.3 |
2.4 |
0.688 |
2 |
0 |
0 |
0.000 |
| Average: |
247.2 |
2.3 |
0.678 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[DUZ]D:3 |
27 |
1 |
592 |
cf |
D |
x,y,z |
1_555 |
26 |
5 |
4948 |
238.4 |
2.0 |
0.627 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[DUZ]E:16 |
25 |
1 |
602 |
cf |
E |
x,y,z |
1_555 |
39 |
4 |
4866 |
234.9 |
3.1 |
0.681 |
1 |
0 |
0 |
0.000 |
11 |
|
[DUZ]D:16 |
25 |
1 |
599 |
cf |
D |
x,y,z |
1_555 |
37 |
4 |
4948 |
233.7 |
2.9 |
0.659 |
2 |
0 |
0 |
0.000 |
| Average: |
234.3 |
3.0 |
0.670 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[DUZ]D:18 |
22 |
1 |
603 |
cf |
D |
x,y,z |
1_555 |
34 |
4 |
4948 |
231.6 |
5.8 |
0.803 |
1 |
0 |
0 |
0.000 |
13 |
|
[DUZ]E:18 |
21 |
1 |
603 |
cf |
E |
x,y,z |
1_555 |
35 |
4 |
4866 |
211.2 |
3.5 |
0.722 |
2 |
0 |
0 |
0.000 |
| Average: |
221.4 |
4.7 |
0.763 |
2 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[DUZ]E:3 |
23 |
1 |
607 |
cf |
E |
x,y,z |
1_555 |
30 |
4 |
4866 |
231.0 |
3.0 |
0.698 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
30 |
4 |
4948 |
◊ |
D |
-x,y,-z+1 |
2_556 |
30 |
4 |
4948 |
230.6 |
3.1 |
0.716 |
4 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[DUZ]D:24 |
23 |
1 |
595 |
cf |
D |
x,y,z |
1_555 |
42 |
6 |
4948 |
229.1 |
2.2 |
0.575 |
6 |
0 |
0 |
0.184 |
17 |
|
[DUZ]E:24 |
23 |
1 |
592 |
cf |
E |
x,y,z |
1_555 |
42 |
6 |
4866 |
223.9 |
2.3 |
0.590 |
5 |
0 |
0 |
0.184 |
| Average: |
226.5 |
2.2 |
0.582 |
6 |
0 |
0 |
0.184 |
| 12 |
18 |
|
E |
30 |
6 |
4866 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
6850 |
195.2 |
0.3 |
0.619 |
1 |
0 |
0 |
0.720 |
19 |
|
D |
29 |
6 |
4948 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
7065 |
186.8 |
-0.1 |
0.650 |
3 |
0 |
0 |
0.720 |
| Average: |
191.0 |
0.1 |
0.635 |
2 |
0 |
0 |
0.720 |
| 13 |
20 |
|
[DUZ]D:27 |
21 |
1 |
610 |
cf |
D |
x,y,z |
1_555 |
26 |
2 |
4948 |
186.2 |
0.3 |
0.597 |
0 |
0 |
0 |
0.000 |
21 |
|
[DUZ]E:27 |
21 |
1 |
604 |
cf |
E |
x,y,z |
1_555 |
24 |
2 |
4866 |
184.6 |
0.9 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
185.4 |
0.6 |
0.606 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[DUZ]E:24 |
18 |
1 |
592 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
7065 |
165.8 |
-0.8 |
0.549 |
3 |
0 |
0 |
1.000 |
23 |
|
[DUZ]D:24 |
14 |
1 |
595 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
6850 |
119.5 |
-0.3 |
0.583 |
2 |
0 |
0 |
1.000 |
| Average: |
142.7 |
-0.6 |
0.566 |
3 |
0 |
0 |
1.000 |
| 15 |
24 |
|
E |
16 |
2 |
4866 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
27 |
8 |
6850 |
162.6 |
-0.6 |
0.597 |
2 |
0 |
0 |
0.106 |
| 16 |
25 |
|
[DUZ]D:11 |
18 |
1 |
615 |
cf |
[DUZ]D:10 |
x,y,z |
1_555 |
18 |
1 |
617 |
150.1 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
26 |
|
[DUZ]E:11 |
13 |
1 |
599 |
cf |
[DUZ]E:10 |
x,y,z |
1_555 |
16 |
1 |
613 |
141.6 |
0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
| Average: |
145.9 |
0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[DUZ]E:27 |
21 |
1 |
604 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
7065 |
148.7 |
0.7 |
0.698 |
1 |
0 |
0 |
0.000 |
28 |
|
[DUZ]D:27 |
18 |
1 |
610 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
6850 |
135.1 |
0.6 |
0.700 |
1 |
0 |
0 |
0.000 |
| Average: |
141.9 |
0.7 |
0.699 |
1 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[DUZ]D:27 |
19 |
1 |
610 |
f |
[DUZ]D:10 |
x,y,z |
1_555 |
17 |
1 |
617 |
143.2 |
1.4 |
0.659 |
0 |
0 |
0 |
0.000 |
30 |
|
[DUZ]E:27 |
18 |
1 |
604 |
f |
[DUZ]E:10 |
x,y,z |
1_555 |
18 |
1 |
613 |
133.3 |
1.0 |
0.636 |
0 |
0 |
0 |
0.000 |
| Average: |
138.3 |
1.2 |
0.648 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[EPE]D:101 |
12 |
1 |
404 |
◊ |
D |
x,y,z |
1_555 |
19 |
2 |
4948 |
142.1 |
3.6 |
0.203 |
1 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[DUZ]D:3 |
21 |
1 |
592 |
f |
[DUZ]D:16 |
x,y,z |
1_555 |
19 |
1 |
599 |
138.2 |
1.7 |
0.613 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[DUZ]D:17 |
19 |
1 |
588 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
7065 |
135.6 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.521 |
34 |
|
[DUZ]E:17 |
18 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
6850 |
135.3 |
-0.5 |
0.469 |
1 |
0 |
0 |
0.521 |
| Average: |
135.5 |
-0.4 |
0.481 |
1 |
0 |
0 |
0.521 |
| 22 |
35 |
|
[DUZ]E:3 |
20 |
1 |
607 |
f |
[DUZ]E:16 |
x,y,z |
1_555 |
18 |
1 |
602 |
135.5 |
2.1 |
0.674 |
1 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[DUZ]D:17 |
14 |
1 |
588 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
4948 |
134.3 |
2.2 |
0.670 |
2 |
0 |
0 |
0.000 |
37 |
|
[DUZ]E:17 |
13 |
1 |
583 |
f |
E |
x,y,z |
1_555 |
20 |
6 |
4866 |
131.5 |
2.4 |
0.688 |
2 |
0 |
0 |
0.000 |
| Average: |
132.9 |
2.3 |
0.679 |
2 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[DUZ]D:25 |
11 |
1 |
592 |
cf |
[DUZ]D:24 |
x,y,z |
1_555 |
23 |
1 |
595 |
130.3 |
-0.4 |
0.483 |
0 |
0 |
0 |
0.260 |
39 |
|
[DUZ]E:25 |
10 |
1 |
587 |
cf |
[DUZ]E:24 |
x,y,z |
1_555 |
22 |
1 |
592 |
123.9 |
-0.2 |
0.488 |
0 |
0 |
0 |
0.260 |
| Average: |
127.1 |
-0.3 |
0.486 |
0 |
0 |
0 |
0.260 |
| 25 |
40 |
|
D |
18 |
2 |
4948 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
15 |
3 |
6850 |
128.6 |
0.5 |
0.666 |
2 |
0 |
0 |
0.043 |
| 26 |
41 |
|
[DUZ]E:25 |
17 |
1 |
587 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
7065 |
126.2 |
-0.2 |
0.588 |
0 |
0 |
0 |
0.389 |
42 |
|
[DUZ]D:25 |
9 |
1 |
592 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
6850 |
80.4 |
-0.7 |
0.539 |
0 |
0 |
0 |
0.389 |
| Average: |
103.3 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.389 |
| 27 |
43 |
|
[DUZ]E:17 |
21 |
1 |
583 |
cf |
[DUZ]E:16 |
x,y,z |
1_555 |
14 |
1 |
602 |
121.6 |
2.6 |
0.692 |
0 |
0 |
0 |
0.000 |
44 |
|
[DUZ]D:17 |
20 |
1 |
588 |
cf |
[DUZ]D:16 |
x,y,z |
1_555 |
13 |
1 |
599 |
119.3 |
2.6 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
120.5 |
2.6 |
0.691 |
0 |
0 |
0 |
0.000 |
| 28 |
45 |
|
[DUZ]D:10 |
12 |
1 |
617 |
cf |
D |
x,y,z |
1_555 |
22 |
3 |
4948 |
120.7 |
1.6 |
0.656 |
0 |
0 |
0 |
0.000 |
46 |
|
[DUZ]E:10 |
11 |
1 |
613 |
cf |
E |
x,y,z |
1_555 |
21 |
3 |
4866 |
119.9 |
1.7 |
0.662 |
0 |
0 |
0 |
0.000 |
| Average: |
120.3 |
1.6 |
0.659 |
0 |
0 |
0 |
0.000 |
| 29 |
47 |
|
[DUZ]E:3 |
11 |
1 |
607 |
f |
[DUZ]E:18 |
x,y,z |
1_555 |
20 |
1 |
603 |
114.4 |
0.4 |
0.559 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
[DUZ]D:3 |
12 |
1 |
592 |
f |
[DUZ]D:18 |
x,y,z |
1_555 |
20 |
1 |
603 |
105.4 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.019 |
| 31 |
49 |
|
[DUZ]D:17 |
12 |
1 |
588 |
◊ |
A |
x,y,z |
1_555 |
20 |
3 |
6850 |
104.2 |
-2.1 |
0.385 |
0 |
0 |
0 |
1.000 |
50 |
|
[DUZ]E:17 |
11 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
17 |
2 |
7065 |
101.7 |
-1.7 |
0.407 |
0 |
0 |
0 |
1.000 |
| Average: |
103.0 |
-1.9 |
0.396 |
0 |
0 |
0 |
1.000 |
| 32 |
51 |
|
[DUZ]D:25 |
14 |
1 |
592 |
f |
[DUZ]D:11 |
x,y,z |
1_555 |
12 |
1 |
615 |
90.3 |
1.2 |
0.625 |
0 |
0 |
0 |
0.000 |
52 |
|
[DUZ]E:25 |
12 |
1 |
587 |
f |
[DUZ]E:11 |
x,y,z |
1_555 |
11 |
1 |
599 |
84.3 |
1.4 |
0.636 |
0 |
0 |
0 |
0.000 |
| Average: |
87.3 |
1.3 |
0.631 |
0 |
0 |
0 |
0.000 |
| 33 |
53 |
|
[DUZ]D:27 |
6 |
1 |
610 |
f |
[DUZ]D:11 |
x,y,z |
1_555 |
16 |
1 |
615 |
79.9 |
0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
54 |
|
[DUZ]E:27 |
7 |
1 |
604 |
f |
[DUZ]E:11 |
x,y,z |
1_555 |
17 |
1 |
599 |
77.1 |
0.2 |
0.544 |
0 |
0 |
0 |
0.000 |
| Average: |
78.5 |
0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
| 34 |
55 |
|
[DUZ]D:18 |
6 |
1 |
603 |
cf |
[DUZ]D:17 |
x,y,z |
1_555 |
9 |
1 |
588 |
77.0 |
-0.7 |
0.418 |
0 |
0 |
0 |
0.521 |
56 |
|
[DUZ]E:18 |
7 |
1 |
603 |
cf |
[DUZ]E:17 |
x,y,z |
1_555 |
8 |
1 |
583 |
71.7 |
-0.5 |
0.452 |
0 |
0 |
0 |
0.521 |
| Average: |
74.4 |
-0.6 |
0.435 |
0 |
0 |
0 |
0.521 |
| 35 |
57 |
|
E |
8 |
2 |
4866 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
7065 |
67.4 |
-2.6 |
0.308 |
0 |
0 |
0 |
0.177 |
| 36 |
58 |
|
[DUZ]D:18 |
8 |
1 |
603 |
f |
[DUZ]D:16 |
x,y,z |
1_555 |
11 |
1 |
599 |
64.9 |
0.3 |
0.534 |
0 |
0 |
0 |
0.000 |
59 |
|
[DUZ]E:18 |
6 |
1 |
603 |
f |
[DUZ]E:16 |
x,y,z |
1_555 |
12 |
1 |
602 |
63.7 |
0.6 |
0.577 |
0 |
0 |
0 |
0.000 |
| Average: |
64.3 |
0.5 |
0.555 |
0 |
0 |
0 |
0.000 |
| 37 |
60 |
|
[EPE]D:101 |
9 |
1 |
404 |
◊ |
D |
-x,y,-z+1 |
2_556 |
12 |
3 |
4948 |
64.2 |
1.2 |
0.073 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
[DUZ]E:18 |
9 |
1 |
603 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
7065 |
62.9 |
-1.1 |
0.252 |
0 |
0 |
0 |
0.076 |
| 39 |
62 |
|
[DUZ]E:27 |
8 |
1 |
604 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6850 |
54.1 |
0.6 |
0.619 |
0 |
0 |
0 |
0.000 |
63 |
|
[DUZ]D:27 |
10 |
1 |
610 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7065 |
51.2 |
-0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
| Average: |
52.7 |
0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
| 40 |
64 |
|
[EPE]D:101 |
4 |
1 |
404 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
6850 |
49.6 |
0.0 |
0.117 |
1 |
0 |
0 |
0.185 |
| 41 |
65 |
|
[DUZ]D:18 |
4 |
1 |
603 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7065 |
48.5 |
0.2 |
0.616 |
1 |
0 |
0 |
0.238 |
66 |
|
[DUZ]E:18 |
6 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
6850 |
46.1 |
0.2 |
0.623 |
1 |
0 |
0 |
0.238 |
| Average: |
47.3 |
0.2 |
0.620 |
1 |
0 |
0 |
0.238 |
| 42 |
67 |
|
[DUZ]D:10 |
8 |
1 |
617 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6850 |
41.0 |
0.8 |
0.680 |
1 |
0 |
0 |
0.000 |
68 |
|
[DUZ]E:10 |
7 |
1 |
613 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7065 |
38.6 |
0.5 |
0.661 |
1 |
0 |
0 |
0.000 |
| Average: |
39.8 |
0.7 |
0.670 |
1 |
0 |
0 |
0.000 |
| 43 |
69 |
|
[DUZ]D:18 |
7 |
1 |
603 |
◊ |
D |
-x,y,-z+1 |
2_556 |
4 |
1 |
4948 |
35.9 |
1.3 |
0.637 |
1 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[DUZ]D:11 |
5 |
1 |
615 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
6850 |
33.8 |
1.1 |
0.752 |
1 |
0 |
0 |
0.000 |
71 |
|
[DUZ]E:11 |
4 |
1 |
599 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7065 |
32.2 |
0.8 |
0.743 |
1 |
0 |
0 |
0.000 |
| Average: |
33.0 |
0.9 |
0.748 |
1 |
0 |
0 |
0.000 |
| 45 |
72 |
|
D |
3 |
1 |
4948 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
6850 |
29.4 |
-1.6 |
0.276 |
0 |
0 |
0 |
0.182 |
| 46 |
73 |
|
[EPE]D:101 |
3 |
1 |
404 |
◊ |
[EPE]D:101 |
-x,y,-z+1 |
2_556 |
3 |
1 |
404 |
26.7 |
1.3 |
0.134 |
0 |
0 |
0 |
0.000 |
| 47 |
74 |
|
[DUZ]E:3 |
2 |
1 |
607 |
f |
[DUZ]E:17 |
x,y,z |
1_555 |
5 |
1 |
583 |
22.4 |
1.1 |
0.657 |
0 |
0 |
0 |
0.000 |
| 48 |
75 |
|
[DUZ]D:3 |
2 |
1 |
592 |
f |
[DUZ]D:17 |
x,y,z |
1_555 |
4 |
1 |
588 |
19.8 |
1.0 |
0.647 |
0 |
0 |
0 |
0.000 |
| 49 |
76 |
|
[DUZ]D:16 |
2 |
1 |
599 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6850 |
15.8 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.254 |
77 |
|
[DUZ]E:16 |
2 |
1 |
602 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7065 |
13.8 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.254 |
| Average: |
14.8 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.254 |
| 50 |
78 |
|
[EPE]D:101 |
1 |
1 |
404 |
◊ |
[DUZ]D:18 |
x,y,z |
1_555 |
1 |
1 |
603 |
4.5 |
0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
| 51 |
79 |
|
[EPE]D:101 |
3 |
1 |
404 |
◊ |
[DUZ]D:18 |
-x,y,-z+1 |
2_556 |
3 |
1 |
603 |
4.5 |
0.2 |
0.181 |
0 |
0 |
0 |
0.000 |
| 52 |
80 |
|
B |
1 |
1 |
7065 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
7065 |
3.2 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
|