| ## |
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 |
588 |
145 |
30995 |
◊ |
B |
x,y,z |
1_555 |
594 |
146 |
30977 |
5424.4 |
-38.3 |
0.270 |
67 |
33 |
0 |
0.467 |
2 |
|
C |
583 |
144 |
30653 |
◊ |
A |
x,y,z |
1_555 |
588 |
144 |
30789 |
5364.6 |
-39.8 |
0.298 |
68 |
37 |
0 |
0.467 |
| Average: |
5394.5 |
-39.1 |
0.284 |
68 |
35 |
0 |
0.467 |
| 2 |
3 |
|
C |
498 |
115 |
30653 |
◊ |
B |
x,y,z |
1_555 |
506 |
116 |
30977 |
4826.0 |
-49.3 |
0.049 |
66 |
16 |
0 |
0.498 |
4 |
|
D |
503 |
116 |
30995 |
◊ |
A |
x,y,z |
1_555 |
503 |
118 |
30789 |
4816.8 |
-49.6 |
0.048 |
65 |
16 |
0 |
0.498 |
| Average: |
4821.4 |
-49.5 |
0.048 |
66 |
16 |
0 |
0.498 |
| 3 |
5 |
|
D |
206 |
59 |
30995 |
◊ |
C |
x,y,z |
1_555 |
205 |
59 |
30653 |
1865.8 |
-24.3 |
0.037 |
23 |
1 |
0 |
0.274 |
6 |
|
B |
201 |
58 |
30977 |
◊ |
A |
x,y,z |
1_555 |
209 |
61 |
30789 |
1848.2 |
-24.7 |
0.030 |
23 |
0 |
0 |
0.274 |
| Average: |
1857.0 |
-24.5 |
0.033 |
23 |
1 |
0 |
0.274 |
| 4 |
7 |
|
[HDD]B:701 |
42 |
1 |
804 |
f |
B |
x,y,z |
1_555 |
91 |
28 |
30977 |
565.6 |
-16.5 |
0.579 |
5 |
0 |
0 |
0.298 |
8 |
|
[HDD]A:701 |
42 |
1 |
806 |
f |
A |
x,y,z |
1_555 |
89 |
28 |
30789 |
565.4 |
-16.6 |
0.585 |
5 |
0 |
0 |
0.298 |
9 |
|
[HDD]D:701 |
42 |
1 |
806 |
f |
D |
x,y,z |
1_555 |
93 |
29 |
30995 |
564.3 |
-16.7 |
0.586 |
5 |
0 |
0 |
0.298 |
10 |
|
[HDD]C:701 |
42 |
1 |
802 |
f |
C |
x,y,z |
1_555 |
91 |
29 |
30653 |
563.6 |
-16.6 |
0.588 |
5 |
0 |
0 |
0.298 |
| Average: |
564.7 |
-16.6 |
0.585 |
5 |
0 |
0 |
0.298 |
| 5 |
11 |
|
A |
49 |
18 |
30789 |
◊ |
A |
-x,y,-z-1 |
2_554 |
49 |
18 |
30789 |
438.9 |
1.6 |
0.884 |
2 |
4 |
0 |
0.000 |
| 6 |
12 |
|
B |
48 |
20 |
30977 |
◊ |
B |
-x,y,-z |
2_555 |
48 |
20 |
30977 |
399.4 |
2.4 |
0.903 |
2 |
4 |
0 |
0.000 |
| 7 |
13 |
|
D |
41 |
16 |
30995 |
◊ |
A |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
46 |
18 |
30789 |
334.2 |
2.0 |
0.851 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
35 |
14 |
30653 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
32 |
12 |
30977 |
296.5 |
2.8 |
0.887 |
3 |
0 |
0 |
0.000 |
| 9 |
15 |
|
D |
32 |
12 |
30995 |
◊ |
D |
-x+1,y,-z |
2_655 |
32 |
12 |
30995 |
280.0 |
1.6 |
0.863 |
12 |
4 |
0 |
0.000 |
| 10 |
16 |
|
C |
32 |
11 |
30653 |
◊ |
C |
-x-1,y,-z-1 |
2_454 |
32 |
11 |
30653 |
274.7 |
3.0 |
0.934 |
12 |
4 |
0 |
0.000 |
| 11 |
17 |
|
A |
25 |
9 |
30789 |
◊ |
D |
x-1/2,y+1/2,z-1/2 |
3_454 |
25 |
8 |
30995 |
214.0 |
-0.3 |
0.673 |
3 |
0 |
0 |
0.000 |
| 12 |
18 |
|
C |
11 |
5 |
30653 |
◊ |
B |
x-1/2,y-1/2,z-1/2 |
3_444 |
18 |
5 |
30977 |
141.9 |
-0.7 |
0.551 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[P6G]C:704 |
7 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
30653 |
121.5 |
-2.2 |
0.772 |
0 |
0 |
0 |
0.018 |
| 14 |
20 |
|
[HDD]D:701 |
6 |
1 |
806 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
30977 |
80.8 |
-2.1 |
0.415 |
0 |
0 |
0 |
0.026 |
21 |
|
[HDD]C:701 |
8 |
1 |
802 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
30789 |
80.3 |
-2.1 |
0.466 |
0 |
0 |
0 |
0.026 |
22 |
|
[HDD]A:701 |
7 |
1 |
806 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
30653 |
80.1 |
-2.1 |
0.433 |
0 |
0 |
0 |
0.026 |
23 |
|
[HDD]B:701 |
6 |
1 |
804 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
30995 |
80.0 |
-2.1 |
0.425 |
0 |
0 |
0 |
0.026 |
| Average: |
80.3 |
-2.1 |
0.435 |
0 |
0 |
0 |
0.026 |
| 15 |
24 |
|
[CA]D:703 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
30995 |
62.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.198 |
25 |
|
[CA]B:703 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
30977 |
62.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.198 |
26 |
|
[CA]C:703 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
30653 |
62.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
62.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.198 |
| 16 |
27 |
|
[CA]C:702 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
30653 |
50.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.186 |
28 |
|
[CA]A:702 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
30789 |
49.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.186 |
29 |
|
[CA]D:702 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
30995 |
49.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.186 |
30 |
|
[CA]B:702 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
30977 |
49.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.186 |
| Average: |
49.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.186 |
| 17 |
31 |
|
D |
8 |
3 |
30995 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
5 |
2 |
30977 |
46.6 |
-0.5 |
0.489 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
2 |
2 |
30653 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
2 |
2 |
30789 |
2.3 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
| Average: |
24.5 |
-0.2 |
0.597 |
0 |
0 |
0 |
0.000 |
| 18 |
33 |
|
D |
4 |
1 |
30995 |
◊ |
A |
-x,y,-z-1 |
2_554 |
6 |
2 |
30789 |
43.8 |
1.5 |
0.901 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
3 |
1 |
30653 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
30977 |
14.4 |
0.4 |
0.821 |
0 |
0 |
0 |
0.000 |
| Average: |
29.1 |
1.0 |
0.861 |
0 |
0 |
0 |
0.000 |
| 19 |
35 |
|
D |
8 |
4 |
30995 |
x |
D |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
4 |
1 |
30995 |
39.5 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| 20 |
36 |
|
A |
4 |
2 |
30789 |
◊ |
B |
x-1/2,y+1/2,z-1/2 |
3_454 |
6 |
3 |
30977 |
35.4 |
0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[CA]A:704 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
30789 |
30.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.081 |
38 |
|
[CA]A:703 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
30977 |
29.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
30.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.081 |
| 22 |
39 |
|
[CA]A:703 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
30789 |
28.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.085 |
40 |
|
[CA]A:704 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
30977 |
28.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
28.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.085 |
| 23 |
41 |
|
C |
3 |
2 |
30653 |
x |
C |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
2 |
1 |
30653 |
26.6 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[CA]A:705 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
30995 |
15.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
43 |
|
[CA]A:705 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
30789 |
14.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
44 |
|
[CA]A:705 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
30977 |
14.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
45 |
|
[CA]A:705 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
30653 |
13.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
14.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 25 |
46 |
|
[CA]B:702 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
30789 |
10.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
47 |
|
[CA]D:702 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
30653 |
10.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
48 |
|
[CA]C:702 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
30995 |
10.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
49 |
|
[CA]A:702 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
30977 |
9.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
10.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 26 |
50 |
|
[CA]A:704 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
30653 |
10.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
51 |
|
[CA]A:703 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
30995 |
9.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
10.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 27 |
52 |
|
A |
2 |
2 |
30789 |
◊ |
B |
x-1/2,y-1/2,z-1/2 |
3_444 |
2 |
2 |
30977 |
2.6 |
0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
[P6G]C:704 |
1 |
1 |
256 |
◊ |
[P6G]C:704 |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
256 |
2.3 |
-0.3 |
0.857 |
0 |
0 |
0 |
0.000 |
| 29 |
54 |
|
B |
1 |
1 |
30977 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
30789 |
1.1 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
| 30 |
55 |
|
A |
1 |
1 |
30789 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
30977 |
0.3 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
|