## |
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 |
67 |
18 |
3063 |
◊ |
B |
x,y,z |
1_555 |
66 |
18 |
3077 |
709.3 |
-16.7 |
0.370 |
2 |
3 |
0 |
0.930 |
2 |
|
B |
67 |
16 |
3077 |
◊ |
A |
x,y,z |
1_555 |
62 |
18 |
3002 |
673.7 |
-15.2 |
0.445 |
2 |
3 |
0 |
0.930 |
3 |
|
C |
61 |
17 |
3050 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
3002 |
673.4 |
-16.4 |
0.389 |
1 |
1 |
0 |
0.930 |
4 |
|
E |
67 |
16 |
3011 |
◊ |
D |
x,y,z |
1_555 |
60 |
16 |
3063 |
666.2 |
-16.6 |
0.353 |
1 |
2 |
0 |
0.930 |
5 |
|
F |
63 |
17 |
3043 |
◊ |
C |
x,y,z |
1_555 |
67 |
16 |
3050 |
662.7 |
-17.1 |
0.364 |
0 |
0 |
0 |
0.930 |
6 |
|
F |
64 |
16 |
3043 |
◊ |
E |
x,y,z |
1_555 |
59 |
16 |
3011 |
650.7 |
-16.4 |
0.342 |
1 |
1 |
0 |
0.930 |
Average: |
672.7 |
-16.4 |
0.377 |
1 |
2 |
0 |
0.930 |
2 |
7 |
|
B |
20 |
7 |
3077 |
◊ |
B |
-x,-y-1,z |
2_545 |
20 |
7 |
3077 |
194.5 |
-2.5 |
0.684 |
0 |
0 |
0 |
0.000 |
3 |
8 |
|
D |
17 |
5 |
3063 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
5_444 |
19 |
4 |
3050 |
176.4 |
-1.9 |
0.732 |
1 |
2 |
0 |
0.000 |
9 |
|
F |
20 |
5 |
3043 |
◊ |
A |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
17 |
4 |
3002 |
169.1 |
-1.6 |
0.769 |
1 |
2 |
0 |
0.000 |
Average: |
172.7 |
-1.8 |
0.750 |
1 |
2 |
0 |
0.000 |
4 |
10 |
|
F |
17 |
5 |
3043 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
18 |
4 |
3077 |
149.4 |
-0.5 |
0.797 |
1 |
0 |
0 |
0.000 |
11 |
|
E |
17 |
4 |
3011 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
5_444 |
14 |
3 |
3050 |
138.6 |
-2.4 |
0.624 |
0 |
0 |
0 |
0.000 |
Average: |
144.0 |
-1.5 |
0.711 |
1 |
0 |
0 |
0.000 |
5 |
12 |
|
E |
16 |
4 |
3011 |
◊ |
A |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
13 |
5 |
3002 |
132.3 |
-0.8 |
0.784 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
12 |
5 |
3063 |
◊ |
F |
-x-1/2,y-1/2,-z-1/2 |
5_444 |
8 |
4 |
3043 |
99.5 |
0.3 |
0.838 |
0 |
0 |
0 |
0.000 |
Average: |
115.9 |
-0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
6 |
14 |
|
C |
11 |
3 |
3050 |
◊ |
C |
y,x,-z |
7_555 |
11 |
3 |
3050 |
86.0 |
-1.4 |
0.659 |
0 |
0 |
0 |
0.035 |
15 |
|
E |
10 |
4 |
3011 |
◊ |
B |
y,x,-z |
7_555 |
11 |
4 |
3077 |
78.5 |
-1.7 |
0.583 |
0 |
0 |
0 |
0.035 |
16 |
|
F |
10 |
4 |
3043 |
◊ |
A |
y,x,-z |
7_555 |
8 |
3 |
3002 |
61.9 |
-1.5 |
0.592 |
0 |
0 |
0 |
0.035 |
17 |
|
D |
9 |
4 |
3063 |
◊ |
D |
y,x,-z |
7_555 |
9 |
4 |
3063 |
52.3 |
-0.9 |
0.678 |
0 |
0 |
0 |
0.035 |
Average: |
69.7 |
-1.4 |
0.628 |
0 |
0 |
0 |
0.035 |
7 |
18 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
6 |
2 |
3077 |
73.3 |
-0.7 |
0.770 |
0 |
0 |
0 |
0.100 |
8 |
19 |
|
[ACE]E:0 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
3011 |
72.7 |
-0.7 |
0.773 |
0 |
0 |
0 |
0.100 |
9 |
20 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
3050 |
68.7 |
-1.3 |
0.736 |
0 |
0 |
0 |
0.100 |
21 |
|
[ACE]D:0 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
6 |
3 |
3063 |
62.9 |
-1.3 |
0.739 |
0 |
0 |
0 |
0.100 |
Average: |
65.8 |
-1.3 |
0.737 |
0 |
0 |
0 |
0.100 |
10 |
22 |
|
[ACE]F:0 |
3 |
1 |
170 |
cf |
F |
x,y,z |
1_555 |
8 |
3 |
3043 |
68.4 |
-1.1 |
0.759 |
0 |
0 |
0 |
0.100 |
11 |
23 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
3002 |
65.8 |
-1.4 |
0.750 |
0 |
0 |
0 |
0.100 |
12 |
24 |
|
D |
10 |
2 |
3063 |
◊ |
B |
-x,-y-1,z |
2_545 |
5 |
2 |
3077 |
63.5 |
-0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
F |
7 |
3 |
3043 |
◊ |
C |
y,x,-z |
7_555 |
4 |
2 |
3050 |
47.8 |
-0.0 |
0.746 |
2 |
0 |
0 |
0.016 |
26 |
|
D |
7 |
3 |
3063 |
◊ |
B |
y,x,-z |
7_555 |
4 |
2 |
3077 |
45.5 |
0.1 |
0.754 |
2 |
0 |
0 |
0.016 |
27 |
|
E |
3 |
2 |
3011 |
◊ |
A |
y,x,-z |
7_555 |
3 |
2 |
3002 |
11.4 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.016 |
Average: |
34.9 |
-0.1 |
0.718 |
1 |
0 |
0 |
0.016 |
14 |
28 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
C |
y,x,-z |
7_555 |
4 |
2 |
3050 |
38.0 |
-0.6 |
0.747 |
0 |
0 |
0 |
0.005 |
15 |
29 |
|
[ACE]F:0 |
3 |
1 |
170 |
◊ |
[ACE]A:0 |
y,x,-z |
7_555 |
3 |
1 |
171 |
37.8 |
-0.8 |
0.852 |
0 |
0 |
0 |
0.006 |
16 |
30 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
[ACE]B:0 |
y,x,-z |
7_555 |
3 |
1 |
171 |
36.5 |
-0.7 |
0.852 |
0 |
0 |
0 |
0.006 |
17 |
31 |
|
[ACE]F:0 |
2 |
1 |
170 |
◊ |
A |
y,x,-z |
7_555 |
2 |
1 |
3002 |
32.8 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.006 |
18 |
32 |
|
[ACE]A:0 |
3 |
1 |
171 |
◊ |
F |
y,x,-z |
7_555 |
2 |
1 |
3043 |
32.8 |
-0.4 |
0.742 |
1 |
0 |
0 |
0.007 |
19 |
33 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
B |
y,x,-z |
7_555 |
2 |
1 |
3077 |
31.3 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.001 |
20 |
34 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
D |
y,x,-z |
7_555 |
2 |
1 |
3063 |
31.0 |
-0.3 |
0.701 |
1 |
0 |
0 |
0.006 |
21 |
35 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
E |
y,x,-z |
7_555 |
2 |
1 |
3011 |
30.9 |
-0.0 |
0.785 |
0 |
0 |
0 |
0.000 |
22 |
36 |
|
F |
1 |
1 |
3043 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
3077 |
30.6 |
-1.0 |
0.159 |
0 |
0 |
0 |
0.021 |
37 |
|
C |
1 |
1 |
3050 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
3002 |
26.8 |
-0.9 |
0.166 |
0 |
0 |
0 |
0.021 |
38 |
|
E |
1 |
1 |
3011 |
◊ |
D |
y,x,-z |
7_555 |
1 |
1 |
3063 |
26.5 |
-0.8 |
0.176 |
0 |
0 |
0 |
0.021 |
Average: |
27.9 |
-0.9 |
0.167 |
0 |
0 |
0 |
0.021 |
23 |
39 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
[ACE]D:0 |
y,x,-z |
7_555 |
3 |
1 |
171 |
29.9 |
-0.6 |
0.852 |
0 |
0 |
0 |
0.002 |
24 |
40 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
[ACE]C:0 |
y,x,-z |
7_555 |
3 |
1 |
172 |
29.9 |
-0.7 |
0.852 |
0 |
0 |
0 |
0.003 |
25 |
41 |
|
[ACE]D:0 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3077 |
22.7 |
-0.2 |
0.735 |
0 |
0 |
0 |
0.008 |
42 |
|
[ACE]C:0 |
1 |
1 |
172 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
3043 |
21.1 |
-0.6 |
0.628 |
0 |
0 |
0 |
0.008 |
Average: |
21.9 |
-0.4 |
0.681 |
0 |
0 |
0 |
0.008 |
26 |
43 |
|
[ACE]A:0 |
1 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
3050 |
19.7 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.001 |
27 |
44 |
|
[ACE]D:0 |
2 |
1 |
171 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
3077 |
10.5 |
-0.0 |
0.885 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[ACE]F:0 |
1 |
1 |
170 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3011 |
8.3 |
-0.3 |
0.619 |
0 |
0 |
0 |
0.002 |
29 |
46 |
|
[ACE]F:0 |
2 |
1 |
170 |
◊ |
C |
y,x,-z |
7_555 |
1 |
1 |
3050 |
7.0 |
0.0 |
0.884 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
3002 |
6.2 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[ACE]E:0 |
1 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3063 |
4.6 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
|