| ## |
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 |
|
E |
93 |
11 |
3938 |
◊ |
A |
x,y,z |
1_555 |
104 |
37 |
18102 |
911.8 |
-5.9 |
0.523 |
17 |
0 |
0 |
0.259 |
| 2 |
2 |
|
J |
92 |
13 |
4363 |
◊ |
B |
x,y,z |
1_555 |
106 |
39 |
17896 |
901.5 |
-9.3 |
0.470 |
20 |
0 |
0 |
0.316 |
| 3 |
3 |
|
J |
57 |
13 |
4363 |
◊ |
H |
x,y,z |
1_555 |
50 |
12 |
2931 |
549.6 |
-7.6 |
0.579 |
33 |
0 |
0 |
1.000 |
| 4 |
4 |
|
E |
58 |
13 |
3938 |
◊ |
D |
x,y,z |
1_555 |
51 |
12 |
2924 |
539.6 |
-7.0 |
0.557 |
34 |
0 |
0 |
0.937 |
| 5 |
5 |
|
D |
63 |
8 |
2924 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
18102 |
522.4 |
-11.6 |
0.345 |
15 |
0 |
0 |
0.318 |
6 |
|
H |
60 |
8 |
2931 |
◊ |
B |
x,y,z |
1_555 |
60 |
23 |
17896 |
508.9 |
-9.9 |
0.412 |
13 |
0 |
0 |
0.318 |
| Average: |
515.6 |
-10.7 |
0.379 |
14 |
0 |
0 |
0.318 |
| 6 |
7 |
|
A |
29 |
9 |
18102 |
◊ |
B |
x-1,y,z-1 |
1_454 |
34 |
10 |
17896 |
310.3 |
-4.2 |
0.159 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
32 |
9 |
17896 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
18102 |
282.2 |
-4.3 |
0.131 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[DCP]A:414 |
26 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
41 |
18 |
18102 |
268.5 |
0.5 |
0.564 |
12 |
0 |
0 |
0.094 |
10 |
|
[DCP]B:1414 |
26 |
1 |
536 |
f |
B |
x,y,z |
1_555 |
42 |
18 |
17896 |
267.0 |
0.6 |
0.571 |
12 |
0 |
0 |
0.094 |
| Average: |
267.7 |
0.5 |
0.567 |
12 |
0 |
0 |
0.094 |
| 9 |
11 |
|
A |
27 |
11 |
18102 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
9 |
17896 |
252.1 |
0.8 |
0.475 |
2 |
1 |
0 |
0.000 |
| 10 |
12 |
|
[8OG]E:906 |
22 |
1 |
490 |
◊ |
A |
x,y,z |
1_555 |
40 |
16 |
18102 |
235.4 |
-2.4 |
0.275 |
7 |
0 |
0 |
0.107 |
13 |
|
[8OG]J:1906 |
22 |
1 |
490 |
◊ |
B |
x,y,z |
1_555 |
38 |
15 |
17896 |
232.9 |
-2.6 |
0.274 |
7 |
0 |
0 |
0.107 |
| Average: |
234.2 |
-2.5 |
0.274 |
7 |
0 |
0 |
0.107 |
| 11 |
14 |
|
E |
22 |
4 |
3938 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
30 |
9 |
18102 |
224.8 |
1.1 |
0.638 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
23 |
7 |
18102 |
◊ |
B |
x,y,z-1 |
1_554 |
26 |
9 |
17896 |
216.1 |
0.3 |
0.462 |
3 |
3 |
0 |
0.000 |
| 13 |
16 |
|
H |
17 |
2 |
2931 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
17896 |
198.1 |
0.3 |
0.560 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
J |
20 |
4 |
4363 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
9 |
17896 |
192.7 |
-0.6 |
0.440 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
D |
18 |
2 |
2924 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
21 |
6 |
18102 |
191.7 |
0.8 |
0.626 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
A |
23 |
10 |
18102 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
7 |
17896 |
180.5 |
1.1 |
0.604 |
2 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[8OG]E:906 |
20 |
1 |
490 |
cf |
E |
x,y,z |
1_555 |
21 |
2 |
3938 |
164.4 |
2.5 |
0.659 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[8OG]J:1906 |
20 |
1 |
490 |
cf |
J |
x,y,z |
1_555 |
24 |
2 |
4363 |
159.1 |
1.8 |
0.635 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
B |
16 |
7 |
17896 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
6 |
18102 |
117.0 |
-0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[DDG]D:813 |
16 |
1 |
470 |
cf |
D |
x,y,z |
1_555 |
14 |
1 |
2924 |
116.5 |
3.0 |
0.514 |
1 |
0 |
0 |
0.000 |
24 |
|
[DDG]H:1813 |
16 |
1 |
470 |
cf |
H |
x,y,z |
1_555 |
14 |
1 |
2931 |
112.8 |
2.8 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
114.7 |
2.9 |
0.506 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[DDG]H:1813 |
17 |
1 |
470 |
◊ |
[DCP]B:1414 |
x,y,z |
1_555 |
15 |
1 |
536 |
104.5 |
2.6 |
0.447 |
0 |
0 |
0 |
0.000 |
26 |
|
[DDG]D:813 |
16 |
1 |
470 |
◊ |
[DCP]A:414 |
x,y,z |
1_555 |
16 |
1 |
536 |
104.5 |
2.4 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
104.5 |
2.5 |
0.454 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[DDG]H:1813 |
8 |
1 |
470 |
◊ |
B |
x,y,z |
1_555 |
16 |
10 |
17896 |
102.7 |
1.3 |
0.496 |
1 |
0 |
0 |
0.000 |
28 |
|
[DDG]D:813 |
8 |
1 |
470 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
18102 |
98.1 |
1.9 |
0.550 |
1 |
0 |
0 |
0.000 |
| Average: |
100.4 |
1.6 |
0.523 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
A |
9 |
4 |
18102 |
◊ |
J |
x,y,z-1 |
1_554 |
11 |
3 |
4363 |
83.2 |
-0.9 |
0.517 |
1 |
0 |
0 |
0.000 |
| 24 |
30 |
|
B |
8 |
3 |
17896 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
17896 |
77.6 |
0.1 |
0.572 |
1 |
1 |
0 |
0.000 |
| 25 |
31 |
|
[DDG]D:813 |
8 |
1 |
470 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
3938 |
74.9 |
0.1 |
0.404 |
3 |
0 |
0 |
0.054 |
| 26 |
32 |
|
[DDG]H:1813 |
8 |
1 |
470 |
◊ |
J |
x,y,z |
1_555 |
11 |
2 |
4363 |
74.5 |
0.1 |
0.420 |
3 |
0 |
0 |
0.069 |
| 27 |
33 |
|
J |
6 |
1 |
4363 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
18102 |
62.4 |
-1.3 |
0.402 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
A |
7 |
3 |
18102 |
x |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
18102 |
58.1 |
1.7 |
0.843 |
3 |
2 |
0 |
0.000 |
| 29 |
35 |
|
[8OG]E:906 |
4 |
1 |
490 |
◊ |
[DCP]A:414 |
x,y,z |
1_555 |
4 |
1 |
536 |
48.4 |
0.8 |
0.546 |
3 |
0 |
0 |
0.010 |
36 |
|
[8OG]J:1906 |
4 |
1 |
490 |
◊ |
[DCP]B:1414 |
x,y,z |
1_555 |
4 |
1 |
536 |
47.4 |
0.8 |
0.550 |
3 |
0 |
0 |
0.010 |
| Average: |
47.9 |
0.8 |
0.548 |
3 |
0 |
0 |
0.010 |
| 30 |
37 |
|
[8OG]E:906 |
5 |
1 |
490 |
◊ |
[DDG]D:813 |
x,y,z |
1_555 |
5 |
1 |
470 |
38.7 |
1.1 |
0.447 |
0 |
0 |
0 |
0.000 |
38 |
|
[8OG]J:1906 |
5 |
1 |
490 |
◊ |
[DDG]H:1813 |
x,y,z |
1_555 |
5 |
1 |
470 |
38.3 |
1.1 |
0.446 |
0 |
0 |
0 |
0.000 |
| Average: |
38.5 |
1.1 |
0.447 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[CA]A:417 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
18102 |
37.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.150 |
40 |
|
[CA]B:1415 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
17896 |
36.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.150 |
| Average: |
37.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.150 |
| 32 |
41 |
|
E |
5 |
3 |
3938 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
17896 |
34.9 |
-1.0 |
0.444 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[CA]B:1417 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17896 |
33.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.131 |
43 |
|
[CA]A:415 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18102 |
31.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.131 |
| Average: |
32.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.131 |
| 34 |
44 |
|
[CA]B:1416 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
17896 |
29.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.129 |
45 |
|
[CA]A:416 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
18102 |
29.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
29.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.129 |
| 35 |
46 |
|
[DCP]A:414 |
4 |
1 |
536 |
f |
[CA]A:416 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.121 |
47 |
|
[DCP]B:1414 |
4 |
1 |
536 |
f |
[CA]B:1416 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
28.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.121 |
| 36 |
48 |
|
[DDG]D:813 |
4 |
1 |
470 |
◊ |
[CA]A:415 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.080 |
49 |
|
[DDG]H:1813 |
4 |
1 |
470 |
◊ |
[CA]B:1417 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
23.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
| 37 |
50 |
|
[CA]D:418 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
2924 |
23.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.407 |
| 38 |
51 |
|
[CA]D:418 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3938 |
17.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.109 |
| 39 |
52 |
|
[DCP]B:1414 |
4 |
1 |
536 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
4363 |
15.5 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
| 40 |
53 |
|
[DCP]A:414 |
4 |
1 |
536 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
3938 |
13.9 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
| 41 |
54 |
|
[CA]A:417 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2924 |
12.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
55 |
|
[CA]B:1415 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
2931 |
12.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
| 42 |
56 |
|
[DCP]B:1414 |
4 |
1 |
536 |
f |
[CA]B:1417 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
|
[DCP]A:414 |
3 |
1 |
536 |
f |
[CA]A:415 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
11.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| 43 |
58 |
|
[CA]A:415 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2924 |
4.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
|
[CA]B:1417 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2931 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
3.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
| 44 |
60 |
|
[CA]B:1417 |
1 |
1 |
85 |
f |
[CA]B:1416 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| 45 |
61 |
|
[CA]A:416 |
1 |
1 |
85 |
f |
[CA]A:415 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
|