## |
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 |
|
F |
68 |
21 |
2925 |
◊ |
E |
x,y,z |
1_555 |
76 |
20 |
2993 |
765.7 |
-14.0 |
0.543 |
4 |
4 |
0 |
0.929 |
2 |
|
E |
66 |
18 |
2993 |
◊ |
D |
x,y,z |
1_555 |
71 |
19 |
2992 |
731.7 |
-12.7 |
0.558 |
4 |
6 |
0 |
0.929 |
3 |
|
G |
63 |
18 |
2977 |
◊ |
F |
x,y,z |
1_555 |
72 |
19 |
2925 |
731.2 |
-13.7 |
0.491 |
3 |
4 |
0 |
0.929 |
4 |
|
C |
62 |
18 |
2970 |
◊ |
B |
x,y,z |
1_555 |
71 |
19 |
2989 |
730.1 |
-14.2 |
0.446 |
3 |
4 |
0 |
0.929 |
5 |
|
G |
76 |
21 |
2977 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
3042 |
729.7 |
-15.6 |
0.409 |
2 |
2 |
0 |
0.929 |
6 |
|
D |
65 |
18 |
2992 |
◊ |
C |
x,y,z |
1_555 |
66 |
17 |
2970 |
721.9 |
-14.3 |
0.410 |
3 |
4 |
0 |
0.929 |
7 |
|
B |
63 |
18 |
2989 |
◊ |
A |
x,y,z |
1_555 |
71 |
19 |
3042 |
711.5 |
-15.1 |
0.438 |
1 |
2 |
0 |
0.929 |
Average: |
731.7 |
-14.2 |
0.471 |
3 |
4 |
0 |
0.929 |
2 |
8 |
|
D |
41 |
8 |
2992 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
9 |
2989 |
354.7 |
-2.6 |
0.852 |
3 |
0 |
0 |
0.000 |
3 |
9 |
|
E |
25 |
5 |
2993 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
6 |
2977 |
245.6 |
-3.9 |
0.629 |
2 |
0 |
0 |
0.000 |
4 |
10 |
|
F |
10 |
3 |
2925 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
4 |
2977 |
81.2 |
0.7 |
0.857 |
0 |
0 |
0 |
0.000 |
11 |
|
E |
6 |
2 |
2993 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
3042 |
44.6 |
0.3 |
0.801 |
1 |
1 |
0 |
0.000 |
Average: |
62.9 |
0.5 |
0.829 |
1 |
1 |
0 |
0.000 |
5 |
12 |
|
D |
7 |
3 |
2992 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
3042 |
73.7 |
1.2 |
0.871 |
2 |
4 |
0 |
0.000 |
6 |
13 |
|
F |
9 |
3 |
2925 |
◊ |
E |
x,-y+1,-z |
2_565 |
9 |
3 |
2993 |
70.4 |
-0.3 |
0.721 |
2 |
0 |
0 |
0.032 |
14 |
|
B |
9 |
3 |
2989 |
◊ |
B |
x,-y+1,-z |
2_565 |
9 |
3 |
2989 |
69.8 |
-0.4 |
0.713 |
2 |
0 |
0 |
0.032 |
15 |
|
C |
9 |
3 |
2970 |
◊ |
A |
x,-y+1,-z |
2_565 |
9 |
3 |
3042 |
69.4 |
-0.4 |
0.696 |
2 |
0 |
0 |
0.032 |
16 |
|
G |
9 |
3 |
2977 |
◊ |
D |
x,-y+1,-z |
2_565 |
9 |
3 |
2992 |
67.3 |
-0.3 |
0.716 |
2 |
0 |
0 |
0.032 |
Average: |
69.2 |
-0.3 |
0.712 |
2 |
0 |
0 |
0.032 |
7 |
17 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
2970 |
60.3 |
-0.9 |
0.782 |
0 |
0 |
0 |
0.106 |
8 |
18 |
|
[ACE]G:0 |
3 |
1 |
171 |
cf |
G |
x,y,z |
1_555 |
10 |
5 |
2977 |
59.1 |
-0.3 |
0.854 |
1 |
0 |
0 |
0.100 |
19 |
|
[ACE]E:0 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
6 |
3 |
2993 |
57.0 |
-0.6 |
0.779 |
0 |
0 |
0 |
0.100 |
Average: |
58.1 |
-0.5 |
0.817 |
1 |
0 |
0 |
0.100 |
9 |
20 |
|
[ACE]D:0 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
2992 |
57.8 |
-0.7 |
0.775 |
0 |
0 |
0 |
0.047 |
21 |
|
[ACE]F:0 |
3 |
1 |
171 |
cf |
F |
x,y,z |
1_555 |
7 |
3 |
2925 |
57.4 |
-0.7 |
0.785 |
0 |
0 |
0 |
0.047 |
Average: |
57.6 |
-0.7 |
0.780 |
0 |
0 |
0 |
0.047 |
10 |
22 |
|
C |
8 |
3 |
2970 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
2989 |
55.6 |
-0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
3042 |
55.4 |
-0.8 |
0.767 |
0 |
0 |
0 |
0.100 |
24 |
|
[ACE]B:0 |
3 |
1 |
170 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
2989 |
54.9 |
-0.8 |
0.774 |
1 |
0 |
0 |
0.100 |
Average: |
55.2 |
-0.8 |
0.771 |
1 |
0 |
0 |
0.100 |
12 |
25 |
|
[NH2]D:31 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
7 |
4 |
2992 |
53.8 |
0.8 |
0.837 |
0 |
0 |
0 |
0.000 |
13 |
26 |
|
[GOL]F:101 |
5 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
2977 |
49.8 |
-1.1 |
0.440 |
0 |
0 |
0 |
0.060 |
14 |
27 |
|
[NH2]C:31 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
3 |
1 |
2970 |
48.6 |
0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
F |
7 |
4 |
2925 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
3 |
3042 |
47.5 |
0.7 |
0.840 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[GOL]C:101 |
3 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
1 |
2970 |
46.1 |
-0.4 |
0.620 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[GOL]F:101 |
3 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
2925 |
43.3 |
-0.6 |
0.529 |
0 |
0 |
0 |
0.005 |
18 |
31 |
|
[GOL]F:101 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
3042 |
41.6 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.004 |
19 |
32 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
[ACE]A:0 |
x,-y+1,-z |
2_565 |
3 |
1 |
172 |
34.2 |
-0.7 |
0.852 |
0 |
0 |
0 |
0.005 |
20 |
33 |
|
[ACE]F:0 |
3 |
1 |
171 |
◊ |
[ACE]F:0 |
x,-y+1,-z |
2_565 |
3 |
1 |
171 |
32.6 |
-0.4 |
0.963 |
0 |
0 |
0 |
0.002 |
21 |
34 |
|
C |
5 |
2 |
2970 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
3042 |
32.4 |
0.8 |
0.854 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
[ACE]B:0 |
x,-y+1,-z |
2_565 |
3 |
1 |
170 |
32.4 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.006 |
23 |
36 |
|
[ACE]G:0 |
3 |
1 |
171 |
◊ |
[ACE]E:0 |
x,-y+1,-z |
2_565 |
3 |
1 |
171 |
32.1 |
-0.5 |
0.852 |
0 |
0 |
0 |
0.004 |
24 |
37 |
|
[NH2]D:31 |
1 |
1 |
117 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
2989 |
30.0 |
0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[GOL]C:101 |
3 |
1 |
216 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
3042 |
29.7 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[GOL]C:101 |
4 |
1 |
216 |
f |
F |
x-1,y,z |
1_455 |
9 |
1 |
2925 |
29.5 |
-0.7 |
0.542 |
0 |
0 |
0 |
0.053 |
27 |
40 |
|
[ACE]E:0 |
2 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2992 |
28.2 |
-0.1 |
0.869 |
0 |
0 |
0 |
0.002 |
41 |
|
[ACE]G:0 |
2 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2925 |
26.5 |
-0.1 |
0.867 |
0 |
0 |
0 |
0.002 |
Average: |
27.3 |
-0.1 |
0.868 |
0 |
0 |
0 |
0.002 |
28 |
42 |
|
[ACE]F:0 |
2 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2993 |
24.6 |
-0.1 |
0.866 |
0 |
0 |
0 |
0.002 |
43 |
|
[ACE]D:0 |
2 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2970 |
24.6 |
-0.1 |
0.862 |
0 |
0 |
0 |
0.002 |
Average: |
24.6 |
-0.1 |
0.864 |
0 |
0 |
0 |
0.002 |
29 |
44 |
|
[ACE]C:0 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2989 |
23.8 |
0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[GOL]F:101 |
3 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
2993 |
23.6 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.001 |
31 |
46 |
|
[ACE]B:0 |
2 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
3042 |
23.1 |
0.1 |
0.861 |
0 |
0 |
0 |
0.000 |
47 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
2977 |
23.0 |
0.1 |
0.859 |
0 |
0 |
0 |
0.000 |
Average: |
23.0 |
0.1 |
0.860 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
[ACE]A:0 |
3 |
1 |
172 |
◊ |
D |
x,-y+1,-z |
2_565 |
2 |
1 |
2992 |
22.8 |
-0.5 |
0.755 |
0 |
0 |
0 |
0.004 |
33 |
49 |
|
[ACE]B:0 |
2 |
1 |
170 |
◊ |
C |
x,-y+1,-z |
2_565 |
2 |
1 |
2970 |
22.2 |
-0.5 |
0.762 |
0 |
0 |
0 |
0.004 |
34 |
50 |
|
F |
2 |
1 |
2925 |
◊ |
F |
x,-y+1,-z |
2_565 |
2 |
1 |
2925 |
21.5 |
-0.3 |
0.412 |
0 |
0 |
0 |
0.008 |
51 |
|
C |
2 |
1 |
2970 |
◊ |
B |
x,-y+1,-z |
2_565 |
2 |
1 |
2989 |
21.2 |
-0.3 |
0.448 |
0 |
0 |
0 |
0.008 |
52 |
|
D |
2 |
1 |
2992 |
◊ |
A |
x,-y+1,-z |
2_565 |
2 |
1 |
3042 |
21.2 |
-0.3 |
0.434 |
0 |
0 |
0 |
0.008 |
53 |
|
G |
2 |
1 |
2977 |
◊ |
E |
x,-y+1,-z |
2_565 |
2 |
1 |
2993 |
21.2 |
-0.3 |
0.438 |
0 |
0 |
0 |
0.008 |
Average: |
21.3 |
-0.3 |
0.433 |
0 |
0 |
0 |
0.008 |
35 |
54 |
|
[ACE]G:0 |
3 |
1 |
171 |
◊ |
E |
x,-y+1,-z |
2_565 |
2 |
1 |
2993 |
21.5 |
-0.4 |
0.726 |
0 |
0 |
0 |
0.003 |
36 |
55 |
|
[ACE]F:0 |
3 |
1 |
171 |
◊ |
F |
x,-y+1,-z |
2_565 |
2 |
1 |
2925 |
21.4 |
-0.3 |
0.721 |
0 |
0 |
0 |
0.005 |
56 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
A |
x,-y+1,-z |
2_565 |
2 |
1 |
3042 |
21.0 |
-0.3 |
0.733 |
0 |
0 |
0 |
0.005 |
Average: |
21.2 |
-0.3 |
0.727 |
0 |
0 |
0 |
0.005 |
37 |
57 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
G |
x,-y+1,-z |
2_565 |
2 |
1 |
2977 |
21.2 |
-0.4 |
0.713 |
0 |
0 |
0 |
0.003 |
38 |
58 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
B |
x,-y+1,-z |
2_565 |
2 |
1 |
2989 |
20.8 |
-0.4 |
0.751 |
0 |
0 |
0 |
0.003 |
39 |
59 |
|
[GOL]F:101 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
2989 |
18.4 |
-0.3 |
0.582 |
0 |
0 |
0 |
0.002 |
40 |
60 |
|
[NH2]C:31 |
1 |
1 |
117 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
3042 |
15.3 |
0.7 |
0.969 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
C |
x,-y+1,-z |
2_565 |
3 |
1 |
2970 |
15.2 |
-0.1 |
0.840 |
0 |
0 |
0 |
0.000 |
42 |
62 |
|
[ACE]B:0 |
2 |
1 |
170 |
◊ |
B |
x,-y+1,-z |
2_565 |
3 |
1 |
2989 |
14.3 |
-0.1 |
0.845 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
[ACE]C:0 |
2 |
1 |
172 |
◊ |
A |
x,-y+1,-z |
2_565 |
3 |
1 |
3042 |
11.8 |
-0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
44 |
64 |
|
[ACE]F:0 |
2 |
1 |
171 |
◊ |
E |
x,-y+1,-z |
2_565 |
3 |
1 |
2993 |
10.9 |
0.1 |
0.842 |
0 |
0 |
0 |
0.000 |
65 |
|
[ACE]D:0 |
2 |
1 |
172 |
◊ |
G |
x,-y+1,-z |
2_565 |
3 |
1 |
2977 |
8.6 |
0.0 |
0.835 |
0 |
0 |
0 |
0.000 |
Average: |
9.8 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
[ACE]G:0 |
2 |
1 |
171 |
◊ |
D |
x,-y+1,-z |
2_565 |
3 |
1 |
2992 |
9.8 |
0.0 |
0.840 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[ACE]E:0 |
2 |
1 |
171 |
◊ |
F |
x,-y+1,-z |
2_565 |
3 |
1 |
2925 |
9.1 |
0.0 |
0.838 |
0 |
0 |
0 |
0.000 |
47 |
68 |
|
[GOL]F:101 |
2 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2970 |
7.8 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.001 |
48 |
69 |
|
B |
1 |
1 |
2989 |
◊ |
A |
x,-y+1,-z |
2_565 |
1 |
1 |
3042 |
7.3 |
0.1 |
0.871 |
0 |
0 |
0 |
0.000 |
70 |
|
G |
1 |
1 |
2977 |
◊ |
C |
x,-y+1,-z |
2_565 |
1 |
1 |
2970 |
7.3 |
0.2 |
0.869 |
0 |
0 |
0 |
0.000 |
71 |
|
F |
1 |
1 |
2925 |
◊ |
D |
x,-y+1,-z |
2_565 |
1 |
1 |
2992 |
6.6 |
0.1 |
0.868 |
0 |
0 |
0 |
0.000 |
72 |
|
E |
1 |
1 |
2993 |
◊ |
E |
x,-y+1,-z |
2_565 |
1 |
1 |
2993 |
6.5 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
Average: |
6.9 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
49 |
73 |
|
[GOL]F:101 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
2992 |
6.4 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
50 |
74 |
|
E |
1 |
1 |
2993 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
2925 |
4.4 |
0.1 |
0.859 |
0 |
0 |
0 |
0.000 |
51 |
75 |
|
E |
1 |
1 |
2993 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
2989 |
0.8 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
|