| ## |
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 |
|
J |
259 |
68 |
18437 |
◊ |
I |
x,y,z |
1_555 |
270 |
73 |
18272 |
2551.4 |
-33.9 |
0.190 |
18 |
2 |
0 |
0.975 |
2 |
|
J |
260 |
74 |
18437 |
◊ |
F |
x,y,z |
1_555 |
253 |
66 |
18711 |
2537.2 |
-32.9 |
0.191 |
19 |
2 |
0 |
0.975 |
3 |
|
C |
260 |
68 |
18455 |
◊ |
B |
x,y,z |
1_555 |
275 |
72 |
18584 |
2532.7 |
-32.3 |
0.211 |
18 |
3 |
0 |
0.975 |
4 |
|
B |
250 |
66 |
18584 |
◊ |
A |
x,y,z |
1_555 |
257 |
72 |
18463 |
2516.0 |
-31.4 |
0.227 |
21 |
1 |
0 |
0.975 |
5 |
|
E |
258 |
73 |
18369 |
◊ |
A |
x,y,z |
1_555 |
253 |
65 |
18463 |
2494.3 |
-30.7 |
0.246 |
21 |
2 |
0 |
0.975 |
6 |
|
G |
253 |
67 |
18273 |
◊ |
F |
x,y,z |
1_555 |
259 |
72 |
18711 |
2493.7 |
-32.3 |
0.183 |
19 |
1 |
0 |
0.975 |
7 |
|
H |
255 |
65 |
18701 |
◊ |
G |
x,y,z |
1_555 |
261 |
71 |
18273 |
2490.2 |
-31.9 |
0.215 |
20 |
4 |
0 |
0.975 |
8 |
|
D |
245 |
66 |
18495 |
◊ |
C |
x,y,z |
1_555 |
257 |
72 |
18455 |
2477.5 |
-30.9 |
0.208 |
22 |
1 |
0 |
0.975 |
9 |
|
I |
249 |
65 |
18272 |
◊ |
H |
x,y,z |
1_555 |
261 |
70 |
18701 |
2462.8 |
-32.7 |
0.214 |
21 |
1 |
0 |
0.975 |
10 |
|
E |
234 |
62 |
18369 |
◊ |
D |
x,y,z |
1_555 |
246 |
70 |
18495 |
2355.8 |
-31.9 |
0.164 |
15 |
2 |
0 |
0.975 |
| Average: |
2491.2 |
-32.1 |
0.205 |
19 |
2 |
0 |
0.975 |
| 2 |
11 |
|
G |
64 |
19 |
18273 |
◊ |
D |
-x-2,y-1/2,-z-1 |
2_344 |
71 |
21 |
18495 |
576.2 |
0.3 |
0.896 |
4 |
0 |
0 |
0.000 |
12 |
|
I |
58 |
20 |
18272 |
◊ |
B |
x,y,z |
1_555 |
57 |
18 |
18584 |
453.7 |
-1.2 |
0.826 |
3 |
0 |
0 |
0.000 |
| Average: |
515.0 |
-0.4 |
0.861 |
4 |
0 |
0 |
0.000 |
| 3 |
13 |
|
D |
30 |
7 |
18495 |
◊ |
A |
x,y,z-1 |
1_554 |
35 |
9 |
18463 |
253.1 |
-3.3 |
0.494 |
0 |
0 |
0 |
0.000 |
| 4 |
14 |
|
J |
27 |
8 |
18437 |
◊ |
G |
x-1,y,z |
1_455 |
26 |
8 |
18273 |
236.5 |
-1.9 |
0.604 |
0 |
0 |
0 |
0.000 |
| 5 |
15 |
|
H |
23 |
6 |
18701 |
x |
H |
x-1,y,z |
1_455 |
15 |
4 |
18701 |
189.8 |
-0.9 |
0.400 |
0 |
0 |
0 |
0.000 |
| 6 |
16 |
|
C |
11 |
4 |
18455 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
6 |
18584 |
111.8 |
-0.3 |
0.533 |
0 |
0 |
0 |
0.000 |
| 7 |
17 |
|
[6XY]G:402 |
1 |
1 |
133 |
f |
G |
x,y,z |
1_555 |
20 |
9 |
18273 |
92.0 |
-0.3 |
0.821 |
0 |
0 |
0 |
0.043 |
18 |
|
[6XY]B:402 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
18584 |
86.7 |
-0.4 |
0.816 |
0 |
0 |
0 |
0.043 |
19 |
|
[6XY]H:402 |
1 |
1 |
133 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
18701 |
86.2 |
-0.2 |
0.821 |
0 |
0 |
0 |
0.043 |
20 |
|
[6XY]A:401 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18463 |
84.5 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.043 |
21 |
|
[6XY]D:402 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
18495 |
83.8 |
-0.2 |
0.829 |
0 |
0 |
0 |
0.043 |
22 |
|
[6XY]I:402 |
1 |
1 |
133 |
f |
I |
x,y,z |
1_555 |
18 |
8 |
18272 |
82.3 |
-0.2 |
0.832 |
0 |
0 |
0 |
0.043 |
23 |
|
[6XY]F:402 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
18711 |
81.9 |
-0.0 |
0.850 |
0 |
0 |
0 |
0.043 |
24 |
|
[6XY]J:402 |
1 |
1 |
133 |
f |
J |
x,y,z |
1_555 |
14 |
7 |
18437 |
79.6 |
-0.3 |
0.798 |
0 |
0 |
0 |
0.043 |
25 |
|
[6XY]C:402 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
18455 |
78.6 |
-0.1 |
0.842 |
0 |
0 |
0 |
0.043 |
26 |
|
[6XY]E:402 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
18369 |
69.3 |
0.0 |
0.825 |
0 |
0 |
0 |
0.043 |
| Average: |
82.5 |
-0.2 |
0.825 |
0 |
0 |
0 |
0.043 |
| 8 |
27 |
|
I |
9 |
3 |
18272 |
x |
I |
x-1,y,z |
1_455 |
11 |
5 |
18272 |
78.3 |
-0.7 |
0.592 |
0 |
0 |
0 |
0.000 |
| 9 |
28 |
|
[6XY]I:401 |
1 |
1 |
133 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
18272 |
76.9 |
-0.5 |
0.782 |
0 |
0 |
0 |
0.100 |
29 |
|
[6XY]F:401 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
19 |
7 |
18711 |
76.5 |
-0.5 |
0.787 |
0 |
0 |
0 |
0.100 |
30 |
|
[6XY]D:401 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
18495 |
75.5 |
-0.4 |
0.793 |
0 |
0 |
0 |
0.100 |
31 |
|
[6XY]H:401 |
1 |
1 |
133 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
18701 |
74.5 |
-0.3 |
0.804 |
0 |
0 |
0 |
0.100 |
32 |
|
[6XY]B:401 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18584 |
74.3 |
-0.5 |
0.793 |
0 |
0 |
0 |
0.100 |
33 |
|
[6XY]A:402 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
18463 |
73.1 |
-0.5 |
0.789 |
0 |
0 |
0 |
0.100 |
34 |
|
[6XY]E:401 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
21 |
7 |
18369 |
72.5 |
-0.6 |
0.797 |
0 |
0 |
0 |
0.100 |
35 |
|
[6XY]G:401 |
1 |
1 |
133 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
18273 |
72.1 |
-0.5 |
0.762 |
0 |
0 |
0 |
0.100 |
36 |
|
[6XY]J:401 |
1 |
1 |
133 |
f |
J |
x,y,z |
1_555 |
16 |
5 |
18437 |
72.1 |
-0.6 |
0.752 |
0 |
0 |
0 |
0.100 |
37 |
|
[6XY]C:401 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
18455 |
72.0 |
-0.4 |
0.784 |
0 |
0 |
0 |
0.100 |
| Average: |
73.9 |
-0.5 |
0.784 |
0 |
0 |
0 |
0.100 |
| 10 |
38 |
|
F |
8 |
2 |
18711 |
◊ |
E |
-x-2,y-1/2,-z |
2_345 |
5 |
2 |
18369 |
49.4 |
-1.2 |
0.380 |
0 |
0 |
0 |
0.000 |
| 11 |
39 |
|
I |
6 |
2 |
18272 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
2 |
18701 |
40.4 |
0.5 |
0.819 |
1 |
0 |
0 |
0.000 |
| 12 |
40 |
|
[6XY]C:401 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
18495 |
27.9 |
-0.3 |
0.653 |
0 |
0 |
0 |
0.007 |
41 |
|
[6XY]B:401 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
18455 |
27.7 |
-0.3 |
0.649 |
0 |
0 |
0 |
0.007 |
42 |
|
[6XY]A:402 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
18584 |
24.6 |
-0.3 |
0.629 |
0 |
0 |
0 |
0.007 |
43 |
|
[6XY]F:401 |
1 |
1 |
133 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
18273 |
23.7 |
-0.3 |
0.651 |
0 |
0 |
0 |
0.007 |
44 |
|
[6XY]I:401 |
1 |
1 |
133 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
18437 |
23.3 |
-0.3 |
0.650 |
0 |
0 |
0 |
0.007 |
45 |
|
[6XY]D:401 |
1 |
1 |
133 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
18369 |
23.3 |
-0.3 |
0.671 |
0 |
0 |
0 |
0.007 |
46 |
|
[6XY]H:401 |
1 |
1 |
133 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
18272 |
23.1 |
-0.3 |
0.666 |
0 |
0 |
0 |
0.007 |
47 |
|
[6XY]E:401 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
18463 |
22.3 |
-0.3 |
0.655 |
0 |
0 |
0 |
0.007 |
48 |
|
[6XY]G:401 |
1 |
1 |
133 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
18701 |
22.0 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.007 |
49 |
|
[6XY]J:401 |
1 |
1 |
133 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
18711 |
20.4 |
-0.3 |
0.669 |
0 |
0 |
0 |
0.007 |
| Average: |
23.8 |
-0.3 |
0.659 |
0 |
0 |
0 |
0.007 |
| 13 |
50 |
|
J |
2 |
1 |
18437 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
18711 |
19.0 |
-0.6 |
0.258 |
0 |
0 |
0 |
0.000 |
| 14 |
51 |
|
H |
3 |
2 |
18701 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
18711 |
15.5 |
-0.5 |
0.403 |
0 |
0 |
0 |
0.005 |
52 |
|
I |
4 |
2 |
18272 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
18711 |
11.0 |
-0.4 |
0.505 |
0 |
0 |
0 |
0.005 |
53 |
|
J |
2 |
2 |
18437 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
18701 |
6.7 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.005 |
54 |
|
C |
2 |
1 |
18455 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18463 |
5.4 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.005 |
55 |
|
D |
4 |
2 |
18495 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18463 |
5.1 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.005 |
56 |
|
D |
2 |
1 |
18495 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
18584 |
3.7 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.005 |
57 |
|
E |
2 |
1 |
18369 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
18455 |
3.7 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.005 |
58 |
|
E |
2 |
1 |
18369 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18584 |
2.7 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.005 |
59 |
|
I |
1 |
1 |
18272 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18273 |
2.1 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.005 |
60 |
|
J |
1 |
1 |
18437 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18273 |
0.6 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.005 |
| Average: |
5.7 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.005 |
| 15 |
61 |
|
F |
1 |
1 |
18711 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
18273 |
6.7 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
| 16 |
62 |
|
H |
2 |
1 |
18701 |
◊ |
D |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
18495 |
4.5 |
0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
| 17 |
63 |
|
G |
2 |
1 |
18273 |
◊ |
E |
-x-2,y-1/2,-z-1 |
2_344 |
1 |
1 |
18369 |
3.7 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
|