| ## |
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 |
100 |
32 |
8133 |
◊ |
E |
x,y,z |
1_555 |
95 |
32 |
8758 |
992.4 |
-7.7 |
0.557 |
12 |
12 |
0 |
0.411 |
2 |
|
B |
102 |
32 |
8262 |
◊ |
A |
x,y,z |
1_555 |
92 |
31 |
8869 |
955.7 |
-8.8 |
0.508 |
10 |
8 |
0 |
0.411 |
3 |
|
H |
86 |
28 |
8601 |
◊ |
G |
x,y,z |
1_555 |
90 |
28 |
8627 |
904.8 |
-5.4 |
0.663 |
11 |
18 |
0 |
0.411 |
4 |
|
D |
89 |
29 |
8600 |
◊ |
C |
x,y,z |
1_555 |
90 |
28 |
8565 |
902.9 |
-6.9 |
0.573 |
14 |
17 |
0 |
0.411 |
| Average: |
938.9 |
-7.2 |
0.575 |
12 |
14 |
0 |
0.411 |
| 2 |
5 |
|
G |
82 |
20 |
8627 |
◊ |
H |
x-1,y,z |
1_455 |
76 |
21 |
8601 |
822.8 |
-5.6 |
0.610 |
7 |
10 |
0 |
0.032 |
6 |
|
C |
82 |
21 |
8565 |
◊ |
D |
x-1,y,z |
1_455 |
78 |
21 |
8600 |
822.4 |
-5.0 |
0.663 |
8 |
13 |
0 |
0.032 |
7 |
|
A |
79 |
21 |
8869 |
◊ |
B |
x-1,y,z |
1_455 |
75 |
19 |
8262 |
819.6 |
-5.8 |
0.587 |
7 |
10 |
0 |
0.032 |
8 |
|
E |
77 |
20 |
8758 |
◊ |
F |
x-1,y,z |
1_455 |
76 |
20 |
8133 |
811.5 |
-5.8 |
0.574 |
7 |
10 |
0 |
0.032 |
| Average: |
819.1 |
-5.5 |
0.609 |
7 |
11 |
0 |
0.032 |
| 3 |
9 |
|
D |
78 |
25 |
8600 |
◊ |
A |
x-1,y,z |
1_455 |
85 |
26 |
8869 |
764.0 |
-7.9 |
0.483 |
1 |
0 |
0 |
0.000 |
10 |
|
H |
81 |
25 |
8601 |
◊ |
E |
x-1,y,z |
1_455 |
83 |
25 |
8758 |
760.1 |
-7.3 |
0.540 |
2 |
0 |
0 |
0.000 |
11 |
|
G |
63 |
19 |
8627 |
◊ |
F |
x-1,y-1,z |
1_445 |
62 |
19 |
8133 |
591.5 |
-7.1 |
0.348 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
64 |
20 |
8565 |
◊ |
B |
x-1,y-1,z |
1_445 |
58 |
19 |
8262 |
585.0 |
-6.7 |
0.403 |
0 |
0 |
0 |
0.000 |
| Average: |
675.2 |
-7.3 |
0.443 |
1 |
0 |
0 |
0.000 |
| 4 |
13 |
|
D |
64 |
18 |
8600 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
8869 |
561.9 |
-6.3 |
0.470 |
4 |
4 |
0 |
0.000 |
14 |
|
H |
60 |
17 |
8601 |
◊ |
E |
x,y,z |
1_555 |
63 |
18 |
8758 |
524.7 |
-6.4 |
0.458 |
2 |
2 |
0 |
0.000 |
| Average: |
543.3 |
-6.4 |
0.464 |
3 |
3 |
0 |
0.000 |
| 5 |
15 |
|
C |
25 |
5 |
8565 |
◊ |
H |
x-1,y-1,z+1 |
1_446 |
25 |
7 |
8601 |
237.2 |
-2.2 |
0.498 |
2 |
2 |
0 |
0.000 |
16 |
|
G |
22 |
5 |
8627 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
7 |
8600 |
221.5 |
-2.8 |
0.381 |
1 |
0 |
0 |
0.000 |
17 |
|
D |
23 |
5 |
8600 |
◊ |
E |
x,y-1,z+1 |
1_546 |
24 |
7 |
8758 |
218.1 |
-3.0 |
0.391 |
0 |
0 |
0 |
0.000 |
18 |
|
H |
24 |
5 |
8601 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
8869 |
206.3 |
-3.0 |
0.373 |
0 |
0 |
0 |
0.000 |
19 |
|
G |
22 |
7 |
8627 |
◊ |
B |
x-2,y,z-1 |
1_354 |
20 |
4 |
8262 |
203.0 |
-2.7 |
0.376 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
24 |
7 |
8565 |
◊ |
F |
x-2,y-1,z |
1_345 |
20 |
4 |
8133 |
202.5 |
-1.4 |
0.569 |
1 |
2 |
0 |
0.000 |
21 |
|
E |
9 |
2 |
8758 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
1 |
8262 |
68.5 |
-1.4 |
0.338 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
9 |
2 |
8869 |
◊ |
F |
x-1,y-1,z+1 |
1_446 |
8 |
1 |
8133 |
68.3 |
-1.4 |
0.323 |
0 |
0 |
0 |
0.000 |
| Average: |
178.2 |
-2.2 |
0.406 |
1 |
1 |
0 |
0.000 |
| 6 |
23 |
|
G |
17 |
4 |
8627 |
◊ |
B |
x-1,y,z-1 |
1_454 |
30 |
9 |
8262 |
208.1 |
-1.0 |
0.634 |
1 |
0 |
0 |
0.000 |
24 |
|
C |
17 |
4 |
8565 |
◊ |
F |
x-1,y-1,z |
1_445 |
30 |
9 |
8133 |
207.7 |
-0.8 |
0.641 |
1 |
0 |
0 |
0.000 |
25 |
|
A |
26 |
9 |
8869 |
◊ |
F |
x,y-1,z+1 |
1_546 |
17 |
4 |
8133 |
199.9 |
-0.7 |
0.648 |
0 |
0 |
0 |
0.000 |
26 |
|
G |
26 |
9 |
8627 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
8600 |
197.4 |
-0.6 |
0.671 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
27 |
9 |
8565 |
◊ |
H |
x,y-1,z+1 |
1_546 |
17 |
4 |
8601 |
196.0 |
-0.6 |
0.685 |
0 |
0 |
0 |
0.000 |
28 |
|
E |
29 |
9 |
8758 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
8262 |
194.6 |
-0.8 |
0.664 |
0 |
0 |
0 |
0.000 |
29 |
|
H |
23 |
10 |
8601 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
4 |
8869 |
169.5 |
-0.7 |
0.670 |
2 |
0 |
0 |
0.000 |
30 |
|
D |
23 |
10 |
8600 |
◊ |
E |
x-1,y-1,z+1 |
1_446 |
17 |
4 |
8758 |
166.0 |
-0.7 |
0.674 |
2 |
0 |
0 |
0.000 |
| Average: |
192.4 |
-0.7 |
0.661 |
1 |
0 |
0 |
0.000 |
| 7 |
31 |
|
G |
18 |
5 |
8627 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
5 |
8869 |
169.6 |
-0.3 |
0.553 |
3 |
0 |
0 |
0.000 |
32 |
|
G |
17 |
6 |
8627 |
◊ |
A |
x-1,y,z-1 |
1_454 |
15 |
4 |
8869 |
167.5 |
-0.5 |
0.473 |
2 |
0 |
0 |
0.000 |
33 |
|
C |
17 |
5 |
8565 |
◊ |
E |
x-1,y-1,z+1 |
1_446 |
16 |
5 |
8758 |
167.0 |
-0.3 |
0.572 |
3 |
0 |
0 |
0.000 |
34 |
|
D |
15 |
4 |
8600 |
◊ |
H |
x,y-1,z+1 |
1_546 |
17 |
6 |
8601 |
166.7 |
0.0 |
0.602 |
3 |
0 |
0 |
0.000 |
35 |
|
H |
15 |
4 |
8601 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
8600 |
165.7 |
0.0 |
0.591 |
3 |
0 |
0 |
0.000 |
36 |
|
C |
16 |
5 |
8565 |
◊ |
E |
x-1,y-1,z |
1_445 |
14 |
4 |
8758 |
163.8 |
-0.4 |
0.505 |
2 |
0 |
0 |
0.000 |
37 |
|
F |
2 |
1 |
8133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8262 |
1.3 |
0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
1 |
1 |
8262 |
◊ |
F |
x,y-1,z+1 |
1_546 |
1 |
1 |
8133 |
0.1 |
-0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
| Average: |
125.2 |
-0.2 |
0.578 |
2 |
0 |
0 |
0.000 |
| 8 |
39 |
|
[CL]A:902 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8869 |
70.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.635 |
40 |
|
[CL]D:903 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
8600 |
69.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.635 |
41 |
|
[CL]E:905 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
8758 |
69.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.635 |
42 |
|
[CL]H:906 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
8601 |
69.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.635 |
43 |
|
[CL]B:904 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8262 |
68.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.635 |
44 |
|
[CL]F:907 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
8133 |
68.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.635 |
45 |
|
[CL]G:908 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
8627 |
68.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.635 |
46 |
|
[CL]C:901 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
8565 |
67.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.635 |
| Average: |
69.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.635 |
| 9 |
47 |
|
A |
11 |
5 |
8869 |
◊ |
E |
x,y-1,z+1 |
1_546 |
9 |
3 |
8758 |
63.2 |
0.6 |
0.750 |
1 |
0 |
0 |
0.000 |
48 |
|
E |
10 |
4 |
8758 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8869 |
60.8 |
0.5 |
0.750 |
1 |
0 |
0 |
0.000 |
49 |
|
G |
8 |
3 |
8627 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8565 |
60.3 |
0.5 |
0.717 |
1 |
0 |
0 |
0.000 |
50 |
|
C |
8 |
2 |
8565 |
◊ |
G |
x,y-1,z+1 |
1_546 |
5 |
1 |
8627 |
60.0 |
0.5 |
0.715 |
1 |
0 |
0 |
0.000 |
51 |
|
H |
7 |
2 |
8601 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
8262 |
58.0 |
0.4 |
0.697 |
1 |
0 |
0 |
0.000 |
52 |
|
D |
7 |
2 |
8600 |
◊ |
F |
x-1,y-1,z+1 |
1_446 |
5 |
1 |
8133 |
56.8 |
0.4 |
0.700 |
1 |
0 |
0 |
0.000 |
53 |
|
H |
6 |
2 |
8601 |
◊ |
B |
x-1,y,z-1 |
1_454 |
7 |
2 |
8262 |
56.2 |
0.5 |
0.708 |
0 |
0 |
0 |
0.000 |
54 |
|
D |
3 |
1 |
8600 |
◊ |
F |
x-1,y-1,z |
1_445 |
8 |
2 |
8133 |
47.4 |
0.5 |
0.767 |
1 |
0 |
0 |
0.000 |
| Average: |
57.8 |
0.5 |
0.725 |
1 |
0 |
0 |
0.000 |
| 10 |
55 |
|
G |
11 |
6 |
8627 |
◊ |
F |
x-2,y-1,z |
1_345 |
13 |
6 |
8133 |
60.0 |
-1.5 |
0.427 |
0 |
0 |
0 |
0.000 |
56 |
|
C |
11 |
6 |
8565 |
◊ |
B |
x-2,y-1,z |
1_345 |
13 |
6 |
8262 |
58.7 |
-1.5 |
0.441 |
0 |
0 |
0 |
0.000 |
| Average: |
59.3 |
-1.5 |
0.434 |
0 |
0 |
0 |
0.000 |
| 11 |
57 |
|
A |
8 |
2 |
8869 |
x |
A |
x-1,y,z |
1_455 |
3 |
1 |
8869 |
41.2 |
1.4 |
0.905 |
0 |
0 |
0 |
0.000 |
58 |
|
E |
5 |
1 |
8758 |
x |
E |
x-1,y,z |
1_455 |
2 |
1 |
8758 |
30.7 |
1.3 |
0.934 |
0 |
0 |
0 |
0.000 |
59 |
|
H |
4 |
2 |
8601 |
x |
H |
x-1,y,z |
1_455 |
5 |
2 |
8601 |
28.4 |
1.2 |
0.874 |
0 |
0 |
0 |
0.000 |
60 |
|
D |
4 |
2 |
8600 |
x |
D |
x-1,y,z |
1_455 |
5 |
2 |
8600 |
26.8 |
1.1 |
0.870 |
0 |
0 |
0 |
0.000 |
61 |
|
F |
3 |
2 |
8133 |
x |
F |
x-1,y,z |
1_455 |
4 |
2 |
8133 |
20.3 |
0.9 |
0.828 |
0 |
0 |
0 |
0.000 |
62 |
|
B |
2 |
2 |
8262 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
8262 |
19.2 |
1.0 |
0.905 |
0 |
0 |
0 |
0.000 |
63 |
|
C |
3 |
1 |
8565 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
8565 |
15.2 |
0.8 |
0.865 |
0 |
0 |
0 |
0.000 |
64 |
|
G |
3 |
1 |
8627 |
x |
G |
x-1,y,z |
1_455 |
3 |
1 |
8627 |
15.0 |
0.8 |
0.851 |
0 |
0 |
0 |
0.000 |
| Average: |
24.6 |
1.1 |
0.879 |
0 |
0 |
0 |
0.000 |
| 12 |
65 |
|
D |
1 |
1 |
8600 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
8262 |
7.5 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
66 |
|
H |
1 |
1 |
8601 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
8133 |
7.0 |
0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
67 |
|
C |
1 |
1 |
8565 |
◊ |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
8869 |
1.0 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
68 |
|
C |
1 |
1 |
8565 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
8869 |
0.2 |
-0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
| Average: |
3.9 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
|