## |
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 |
585 |
143 |
30888 |
◊ |
B |
x,y,z |
1_555 |
585 |
143 |
30986 |
5367.2 |
-38.3 |
0.309 |
66 |
36 |
0 |
0.467 |
2 |
|
C |
582 |
142 |
30784 |
◊ |
A |
x,y,z |
1_555 |
584 |
143 |
30759 |
5323.7 |
-41.0 |
0.257 |
67 |
36 |
0 |
0.467 |
Average: |
5345.4 |
-39.6 |
0.283 |
67 |
36 |
0 |
0.467 |
2 |
3 |
|
C |
499 |
115 |
30784 |
◊ |
B |
x,y,z |
1_555 |
503 |
116 |
30986 |
4829.5 |
-48.3 |
0.059 |
65 |
15 |
0 |
0.485 |
4 |
|
D |
505 |
115 |
30888 |
◊ |
A |
x,y,z |
1_555 |
501 |
115 |
30759 |
4813.5 |
-50.2 |
0.045 |
67 |
15 |
0 |
0.485 |
Average: |
4821.5 |
-49.3 |
0.052 |
66 |
15 |
0 |
0.485 |
3 |
5 |
|
D |
207 |
59 |
30888 |
◊ |
C |
x,y,z |
1_555 |
209 |
63 |
30784 |
1872.7 |
-23.9 |
0.047 |
25 |
1 |
0 |
0.276 |
6 |
|
B |
202 |
58 |
30986 |
◊ |
A |
x,y,z |
1_555 |
204 |
60 |
30759 |
1860.3 |
-24.6 |
0.030 |
23 |
0 |
0 |
0.276 |
Average: |
1866.5 |
-24.3 |
0.038 |
24 |
1 |
0 |
0.276 |
4 |
7 |
|
[HDD]C:701 |
42 |
1 |
811 |
f |
C |
x,y,z |
1_555 |
91 |
28 |
30784 |
570.4 |
-17.0 |
0.582 |
5 |
0 |
0 |
0.299 |
8 |
|
[HDD]D:701 |
42 |
1 |
805 |
f |
D |
x,y,z |
1_555 |
93 |
29 |
30888 |
569.6 |
-16.7 |
0.578 |
5 |
0 |
0 |
0.299 |
9 |
|
[HDD]B:701 |
42 |
1 |
805 |
f |
B |
x,y,z |
1_555 |
90 |
28 |
30986 |
568.3 |
-16.7 |
0.580 |
5 |
0 |
0 |
0.299 |
10 |
|
[HDD]A:701 |
42 |
1 |
805 |
f |
A |
x,y,z |
1_555 |
92 |
29 |
30759 |
568.3 |
-16.6 |
0.590 |
5 |
0 |
0 |
0.299 |
Average: |
569.1 |
-16.7 |
0.583 |
5 |
0 |
0 |
0.299 |
5 |
11 |
|
A |
61 |
21 |
30759 |
◊ |
A |
-x,y,-z-1 |
2_554 |
60 |
19 |
30759 |
446.0 |
0.3 |
0.825 |
2 |
2 |
0 |
0.000 |
6 |
12 |
|
B |
56 |
21 |
30986 |
◊ |
B |
-x,y,-z |
2_555 |
55 |
21 |
30986 |
412.5 |
2.6 |
0.918 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
D |
42 |
16 |
30888 |
◊ |
A |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
41 |
16 |
30759 |
339.9 |
2.1 |
0.858 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
32 |
12 |
30784 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
33 |
12 |
30986 |
301.9 |
2.8 |
0.878 |
6 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
29 |
12 |
30888 |
◊ |
D |
-x+1,y,-z |
2_655 |
31 |
12 |
30888 |
275.5 |
2.1 |
0.901 |
12 |
4 |
0 |
0.000 |
10 |
16 |
|
C |
29 |
10 |
30784 |
◊ |
C |
-x-1,y,-z-1 |
2_454 |
29 |
10 |
30784 |
273.9 |
2.2 |
0.907 |
10 |
4 |
0 |
0.000 |
11 |
17 |
|
A |
22 |
9 |
30759 |
◊ |
D |
x-1/2,y+1/2,z-1/2 |
3_454 |
23 |
8 |
30888 |
213.2 |
0.3 |
0.739 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
[1PE]D:704 |
14 |
1 |
478 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
30888 |
189.4 |
-1.0 |
0.484 |
2 |
0 |
0 |
0.015 |
13 |
19 |
|
[1PE]A:705 |
14 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
30759 |
167.7 |
-2.3 |
0.341 |
0 |
0 |
0 |
0.017 |
14 |
20 |
|
C |
17 |
7 |
30784 |
f |
[1PE]B:705 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
12 |
1 |
415 |
155.3 |
-0.4 |
0.359 |
0 |
0 |
0 |
0.003 |
15 |
21 |
|
C |
11 |
6 |
30784 |
◊ |
B |
x-1/2,y-1/2,z-1/2 |
3_444 |
21 |
7 |
30986 |
145.3 |
-0.2 |
0.664 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[1PE]A:705 |
10 |
1 |
481 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
30888 |
129.0 |
-1.0 |
0.445 |
0 |
0 |
0 |
0.006 |
17 |
23 |
|
[HDD]C:701 |
7 |
1 |
811 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
30759 |
80.6 |
-2.1 |
0.449 |
0 |
0 |
0 |
0.026 |
24 |
|
[HDD]A:701 |
7 |
1 |
805 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
30784 |
79.9 |
-2.1 |
0.473 |
0 |
0 |
0 |
0.026 |
25 |
|
[HDD]D:701 |
6 |
1 |
805 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
30986 |
79.5 |
-2.1 |
0.424 |
0 |
0 |
0 |
0.026 |
26 |
|
[HDD]B:701 |
6 |
1 |
805 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
30888 |
79.2 |
-2.1 |
0.442 |
0 |
0 |
0 |
0.026 |
Average: |
79.8 |
-2.1 |
0.447 |
0 |
0 |
0 |
0.026 |
18 |
27 |
|
[CA]B:703 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
30986 |
64.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.197 |
28 |
|
[CA]C:703 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
30784 |
63.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.197 |
29 |
|
[CA]D:703 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
30888 |
63.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
63.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.197 |
19 |
30 |
|
[1PE]D:704 |
4 |
1 |
478 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
30759 |
57.0 |
-0.0 |
0.536 |
2 |
0 |
0 |
0.005 |
20 |
31 |
|
D |
9 |
4 |
30888 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
6 |
3 |
30986 |
55.0 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
1 |
1 |
30784 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
30759 |
5.6 |
0.2 |
0.814 |
0 |
0 |
0 |
0.000 |
Average: |
30.3 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
[1PE]D:704 |
8 |
1 |
478 |
◊ |
[1PE]A:705 |
x,y,z |
1_555 |
6 |
1 |
481 |
50.6 |
0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[CA]D:702 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
30888 |
50.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.184 |
35 |
|
[CA]C:702 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
30784 |
50.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.184 |
36 |
|
[CA]A:702 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
30759 |
50.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.184 |
37 |
|
[CA]B:702 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
30986 |
49.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
49.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.184 |
23 |
38 |
|
D |
3 |
1 |
30888 |
◊ |
A |
-x,y,-z-1 |
2_554 |
7 |
2 |
30759 |
44.0 |
1.4 |
0.853 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
4 |
1 |
30784 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
30986 |
27.4 |
0.8 |
0.912 |
0 |
0 |
0 |
0.000 |
Average: |
35.7 |
1.1 |
0.882 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
D |
9 |
4 |
30888 |
x |
D |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
4 |
1 |
30888 |
41.9 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[CA]A:704 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
30986 |
30.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.088 |
42 |
|
[CA]A:703 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
30759 |
29.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
29.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.088 |
26 |
43 |
|
[CA]A:703 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
30986 |
29.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
44 |
|
[CA]A:704 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
30759 |
28.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
29.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
27 |
45 |
|
C |
3 |
2 |
30784 |
x |
C |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
2 |
1 |
30784 |
29.3 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
A |
2 |
2 |
30759 |
◊ |
B |
x-1/2,y+1/2,z-1/2 |
3_454 |
8 |
3 |
30986 |
29.2 |
0.7 |
0.847 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
[1PE]B:705 |
3 |
1 |
415 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
30986 |
28.5 |
0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[CA]B:704 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
30986 |
15.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
49 |
|
[CA]B:704 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
30888 |
14.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.016 |
50 |
|
[CA]B:704 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
30784 |
14.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
51 |
|
[CA]B:704 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
30759 |
13.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
14.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
52 |
|
[CA]B:702 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
30759 |
11.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.026 |
53 |
|
[CA]A:702 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
30986 |
10.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
54 |
|
[CA]C:702 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
30888 |
10.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
55 |
|
[CA]D:702 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
30784 |
10.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
10.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
56 |
|
[1PE]B:705 |
2 |
1 |
415 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
30759 |
10.8 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[CA]A:703 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
30888 |
9.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
58 |
|
[CA]A:704 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
30784 |
9.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
9.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
34 |
59 |
|
A |
2 |
2 |
30759 |
◊ |
B |
x-1/2,y-1/2,z-1/2 |
3_444 |
2 |
2 |
30986 |
2.0 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
B |
1 |
1 |
30986 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
30759 |
0.3 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
|