| ## |
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 |
|
C |
95 |
28 |
9932 |
◊ |
B |
x,y,z |
1_555 |
95 |
29 |
9891 |
940.1 |
-14.4 |
0.030 |
10 |
0 |
0 |
0.331 |
2 |
|
G |
97 |
30 |
9851 |
◊ |
F |
x,y,z |
1_555 |
98 |
31 |
9920 |
934.6 |
-14.5 |
0.038 |
10 |
0 |
0 |
0.331 |
3 |
|
H |
93 |
28 |
9728 |
◊ |
E |
x,y,z |
1_555 |
102 |
31 |
9861 |
931.3 |
-13.9 |
0.045 |
11 |
0 |
0 |
0.331 |
4 |
|
D |
91 |
28 |
9772 |
◊ |
A |
x,y,z |
1_555 |
93 |
28 |
9794 |
907.9 |
-14.4 |
0.032 |
10 |
0 |
0 |
0.331 |
| Average: |
928.5 |
-14.3 |
0.036 |
10 |
0 |
0 |
0.331 |
| 2 |
5 |
|
B |
78 |
24 |
9891 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
9794 |
672.5 |
-5.5 |
0.357 |
5 |
0 |
0 |
0.000 |
6 |
|
F |
75 |
24 |
9920 |
◊ |
E |
x,y,z |
1_555 |
67 |
22 |
9861 |
670.5 |
-2.9 |
0.516 |
9 |
0 |
0 |
0.000 |
| Average: |
671.5 |
-4.2 |
0.437 |
7 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
58 |
20 |
9772 |
◊ |
C |
x,y,z |
1_555 |
54 |
20 |
9932 |
569.7 |
3.2 |
0.889 |
11 |
8 |
0 |
0.000 |
8 |
|
H |
55 |
20 |
9728 |
◊ |
G |
x,y,z |
1_555 |
50 |
17 |
9851 |
549.4 |
2.1 |
0.863 |
10 |
5 |
0 |
0.000 |
| Average: |
559.6 |
2.6 |
0.876 |
11 |
7 |
0 |
0.000 |
| 4 |
9 |
|
F |
46 |
17 |
9920 |
◊ |
H |
x,y,z-1 |
1_554 |
39 |
14 |
9728 |
390.4 |
0.3 |
0.613 |
7 |
0 |
0 |
0.000 |
| 5 |
10 |
|
A |
39 |
17 |
9794 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
44 |
16 |
9851 |
370.5 |
-3.7 |
0.324 |
1 |
0 |
0 |
0.000 |
11 |
|
C |
39 |
13 |
9932 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
38 |
15 |
9861 |
360.4 |
-3.2 |
0.310 |
2 |
0 |
0 |
0.000 |
| Average: |
365.4 |
-3.5 |
0.317 |
2 |
0 |
0 |
0.000 |
| 6 |
12 |
|
C |
36 |
12 |
9932 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
15 |
9794 |
339.1 |
0.8 |
0.734 |
0 |
2 |
0 |
0.000 |
13 |
|
E |
45 |
14 |
9861 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
35 |
11 |
9851 |
320.7 |
2.7 |
0.878 |
2 |
5 |
0 |
0.000 |
| Average: |
329.9 |
1.7 |
0.806 |
1 |
4 |
0 |
0.000 |
| 7 |
14 |
|
F |
30 |
8 |
9920 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
9794 |
316.0 |
-2.9 |
0.337 |
2 |
0 |
0 |
0.000 |
15 |
|
E |
31 |
8 |
9861 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
9 |
9891 |
304.1 |
-1.2 |
0.490 |
2 |
0 |
0 |
0.000 |
| Average: |
310.0 |
-2.0 |
0.414 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
A |
17 |
7 |
9794 |
◊ |
H |
x,y,z-1 |
1_554 |
15 |
8 |
9728 |
133.8 |
0.1 |
0.598 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
D |
11 |
5 |
9772 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
14 |
5 |
9851 |
107.0 |
-0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[MN]A:1238 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
9794 |
67.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.219 |
19 |
|
[MN]F:6238 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
9920 |
63.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.219 |
20 |
|
[MN]B:2238 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9891 |
63.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.219 |
21 |
|
[MN]D:4238 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9772 |
61.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.219 |
22 |
|
[MN]C:3238 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
9932 |
61.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.219 |
23 |
|
[MN]H:8238 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
9728 |
61.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.219 |
24 |
|
[MN]E:5238 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
9861 |
60.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.219 |
25 |
|
[MN]G:7238 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
9851 |
60.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.219 |
| Average: |
62.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.219 |
| 11 |
26 |
|
H |
8 |
3 |
9728 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9920 |
58.7 |
1.1 |
0.860 |
1 |
0 |
0 |
0.000 |
27 |
|
D |
9 |
3 |
9772 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9891 |
56.8 |
0.8 |
0.790 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
6 |
2 |
9932 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9794 |
44.6 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
29 |
|
G |
4 |
1 |
9851 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
9861 |
25.7 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
| Average: |
46.4 |
0.6 |
0.758 |
0 |
0 |
0 |
0.000 |
| 12 |
30 |
|
B |
4 |
1 |
9891 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
2 |
9728 |
51.7 |
-1.1 |
0.179 |
0 |
0 |
0 |
0.000 |
| 13 |
31 |
|
[CA]B:2237 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9891 |
46.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.405 |
32 |
|
[CA]D:4237 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
9772 |
46.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.405 |
33 |
|
[CA]A:1237 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9794 |
45.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.405 |
34 |
|
[CA]G:7237 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
9851 |
44.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.405 |
35 |
|
[CA]H:8237 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
9728 |
44.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.405 |
36 |
|
[CA]E:5237 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
9861 |
42.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.405 |
37 |
|
[CA]C:3237 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9932 |
41.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.405 |
38 |
|
[CA]F:6237 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
9920 |
40.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.405 |
| Average: |
43.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.405 |
| 14 |
39 |
|
A |
2 |
1 |
9794 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
1 |
9861 |
29.2 |
-0.9 |
0.140 |
0 |
0 |
0 |
0.000 |
| 15 |
40 |
|
C |
2 |
1 |
9932 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
9920 |
22.8 |
-0.3 |
0.344 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
4 |
1 |
9891 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
9851 |
14.8 |
-0.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| Average: |
18.8 |
-0.3 |
0.307 |
0 |
0 |
0 |
0.000 |
| 16 |
42 |
|
F |
4 |
3 |
9920 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
9851 |
17.2 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
4 |
3 |
9932 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
3 |
9891 |
4.5 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
| Average: |
10.8 |
0.2 |
0.681 |
0 |
0 |
0 |
0.000 |
| 17 |
44 |
|
[MN]C:3238 |
1 |
1 |
123 |
f |
[CA]C:3237 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.053 |
| 18 |
45 |
|
D |
4 |
1 |
9772 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
9861 |
14.3 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
| 19 |
46 |
|
[MN]H:8238 |
1 |
1 |
123 |
f |
[CA]H:8237 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.045 |
| 20 |
47 |
|
[MN]E:5238 |
1 |
1 |
123 |
f |
[CA]E:5237 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
| 21 |
48 |
|
[MN]A:1238 |
1 |
1 |
123 |
f |
[CA]A:1237 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 22 |
49 |
|
[MN]G:7238 |
1 |
1 |
123 |
f |
[CA]G:7237 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 23 |
50 |
|
[MN]F:6238 |
1 |
1 |
123 |
f |
[CA]F:6237 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 24 |
51 |
|
[MN]D:4238 |
1 |
1 |
123 |
f |
[CA]D:4237 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 25 |
52 |
|
[MN]B:2238 |
1 |
1 |
123 |
f |
[CA]B:2237 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
|