| ## |
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 |
|
A |
283 |
69 |
15863 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
281 |
71 |
15883 |
2739.6 |
-39.2 |
0.015 |
25 |
6 |
0 |
0.720 |
2 |
|
H |
291 |
73 |
15629 |
◊ |
B |
x,y,z |
1_555 |
278 |
68 |
15698 |
2730.6 |
-38.8 |
0.017 |
23 |
6 |
0 |
0.720 |
3 |
|
F |
265 |
63 |
15703 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
269 |
67 |
15549 |
2568.4 |
-39.6 |
0.005 |
20 |
6 |
0 |
0.720 |
4 |
|
G |
264 |
64 |
15608 |
◊ |
D |
x,y,z |
1_555 |
263 |
65 |
15696 |
2548.1 |
-38.1 |
0.010 |
21 |
6 |
0 |
0.720 |
| Average: |
2646.7 |
-38.9 |
0.012 |
22 |
6 |
0 |
0.720 |
| 2 |
5 |
|
[NAD]F:800 |
44 |
1 |
857 |
f |
F |
x,y,z |
1_555 |
78 |
34 |
15703 |
606.4 |
-8.2 |
0.306 |
8 |
0 |
0 |
0.314 |
6 |
|
[NAD]H:800 |
43 |
1 |
859 |
f |
H |
x,y,z |
1_555 |
76 |
33 |
15629 |
604.9 |
-7.2 |
0.367 |
9 |
0 |
0 |
0.314 |
7 |
|
[NAD]C:800 |
44 |
1 |
855 |
f |
C |
x,y,z |
1_555 |
80 |
34 |
15883 |
604.6 |
-6.1 |
0.534 |
10 |
0 |
0 |
0.314 |
8 |
|
[NAD]D:800 |
43 |
1 |
854 |
f |
D |
x,y,z |
1_555 |
80 |
34 |
15696 |
598.8 |
-7.9 |
0.376 |
8 |
0 |
0 |
0.314 |
9 |
|
[NAD]G:800 |
44 |
1 |
857 |
f |
G |
x,y,z |
1_555 |
78 |
32 |
15608 |
597.5 |
-7.1 |
0.425 |
8 |
0 |
0 |
0.314 |
10 |
|
[NAD]E:800 |
44 |
1 |
858 |
f |
E |
x,y,z |
1_555 |
75 |
33 |
15549 |
596.8 |
-6.0 |
0.488 |
9 |
0 |
0 |
0.314 |
11 |
|
[NAD]A:800 |
43 |
1 |
848 |
f |
A |
x,y,z |
1_555 |
79 |
33 |
15863 |
589.5 |
-5.8 |
0.516 |
8 |
0 |
0 |
0.314 |
12 |
|
[NAD]B:800 |
44 |
1 |
856 |
f |
B |
x,y,z |
1_555 |
79 |
34 |
15698 |
588.8 |
-7.4 |
0.396 |
9 |
0 |
0 |
0.314 |
| Average: |
598.4 |
-7.0 |
0.426 |
9 |
0 |
0 |
0.314 |
| 3 |
13 |
|
C |
70 |
22 |
15883 |
◊ |
E |
x-1,y,z |
1_455 |
75 |
21 |
15549 |
591.3 |
0.7 |
0.825 |
9 |
3 |
0 |
0.000 |
| 4 |
14 |
|
B |
50 |
15 |
15698 |
◊ |
E |
x-1,y,z |
1_455 |
57 |
20 |
15549 |
529.6 |
-2.8 |
0.451 |
8 |
5 |
0 |
0.000 |
| 5 |
15 |
|
D |
61 |
20 |
15696 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
56 |
17 |
15863 |
527.0 |
0.4 |
0.755 |
3 |
6 |
0 |
0.000 |
| 6 |
16 |
|
D |
66 |
17 |
15696 |
◊ |
E |
x,y-1,z |
1_545 |
61 |
19 |
15549 |
471.4 |
-2.9 |
0.459 |
2 |
0 |
0 |
0.000 |
| 7 |
17 |
|
F |
42 |
12 |
15703 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
15863 |
459.2 |
-1.3 |
0.571 |
3 |
0 |
0 |
0.000 |
| 8 |
18 |
|
H |
42 |
11 |
15629 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
42 |
14 |
15863 |
357.9 |
-2.4 |
0.490 |
1 |
1 |
0 |
0.000 |
| 9 |
19 |
|
H |
46 |
13 |
15629 |
◊ |
C |
x,y-1,z |
1_545 |
45 |
17 |
15883 |
353.7 |
4.0 |
0.934 |
4 |
1 |
0 |
0.000 |
| 10 |
20 |
|
C |
38 |
10 |
15883 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
15698 |
342.9 |
-0.1 |
0.718 |
3 |
10 |
0 |
0.000 |
| 11 |
21 |
|
C |
43 |
14 |
15883 |
◊ |
A |
x,y,z |
1_555 |
44 |
16 |
15863 |
334.7 |
-0.8 |
0.677 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
22 |
7 |
15696 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
23 |
10 |
15608 |
217.0 |
1.5 |
0.803 |
2 |
5 |
0 |
0.000 |
| Average: |
275.8 |
0.3 |
0.740 |
1 |
3 |
0 |
0.000 |
| 12 |
23 |
|
G |
40 |
12 |
15608 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
15698 |
325.7 |
1.6 |
0.834 |
3 |
0 |
0 |
0.000 |
| 13 |
24 |
|
H |
33 |
9 |
15629 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
41 |
11 |
15703 |
323.9 |
-2.1 |
0.492 |
2 |
0 |
0 |
0.000 |
| 14 |
25 |
|
E |
28 |
7 |
15549 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
15863 |
269.6 |
-0.6 |
0.641 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
A |
35 |
10 |
15863 |
x |
A |
-x,y-1/2,-z |
2_545 |
29 |
8 |
15863 |
260.8 |
-1.6 |
0.480 |
1 |
0 |
0 |
0.000 |
27 |
|
B |
30 |
7 |
15698 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
8 |
15698 |
246.5 |
-3.1 |
0.329 |
0 |
1 |
0 |
0.000 |
| Average: |
253.6 |
-2.3 |
0.404 |
1 |
1 |
0 |
0.000 |
| 16 |
28 |
|
F |
33 |
8 |
15703 |
x |
F |
-x+1,y-1/2,-z |
2_645 |
27 |
8 |
15703 |
249.1 |
-0.7 |
0.455 |
1 |
0 |
0 |
0.000 |
29 |
|
G |
26 |
7 |
15608 |
x |
G |
-x,y-1/2,-z-1 |
2_544 |
26 |
7 |
15608 |
204.5 |
-1.1 |
0.470 |
1 |
0 |
0 |
0.000 |
| Average: |
226.8 |
-0.9 |
0.462 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
H |
34 |
11 |
15629 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
10 |
15698 |
248.8 |
-1.3 |
0.581 |
2 |
3 |
0 |
0.000 |
| 18 |
31 |
|
H |
29 |
11 |
15629 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
15883 |
219.6 |
3.3 |
0.911 |
2 |
0 |
0 |
0.000 |
| 19 |
32 |
|
D |
25 |
7 |
15696 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
27 |
11 |
15698 |
211.4 |
-1.0 |
0.592 |
1 |
0 |
0 |
0.000 |
| 20 |
33 |
|
D |
24 |
7 |
15696 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
23 |
10 |
15703 |
199.3 |
-2.2 |
0.399 |
0 |
1 |
0 |
0.000 |
| 21 |
34 |
|
A |
22 |
8 |
15863 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
21 |
7 |
15549 |
191.2 |
2.2 |
0.873 |
4 |
0 |
0 |
0.000 |
| 22 |
35 |
|
B |
19 |
6 |
15698 |
◊ |
G |
x-1,y,z |
1_455 |
15 |
4 |
15608 |
172.2 |
-1.7 |
0.303 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
G |
19 |
8 |
15608 |
◊ |
E |
x,y,z |
1_555 |
20 |
4 |
15549 |
166.8 |
-2.1 |
0.314 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
H |
13 |
5 |
15629 |
◊ |
D |
x,y,z |
1_555 |
36 |
13 |
15696 |
164.0 |
-0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
F |
21 |
8 |
15703 |
◊ |
E |
x,y,z |
1_555 |
23 |
7 |
15549 |
155.5 |
-0.9 |
0.552 |
0 |
1 |
0 |
0.000 |
| 26 |
39 |
|
H |
22 |
7 |
15629 |
◊ |
E |
x-1,y,z |
1_455 |
13 |
6 |
15549 |
147.0 |
-1.2 |
0.498 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
D |
11 |
4 |
15696 |
◊ |
C |
x,y-1,z |
1_545 |
16 |
7 |
15883 |
126.5 |
1.7 |
0.867 |
3 |
4 |
0 |
0.000 |
| 28 |
41 |
|
D |
12 |
3 |
15696 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
15698 |
118.8 |
1.2 |
0.801 |
2 |
0 |
0 |
0.000 |
| 29 |
42 |
|
E |
13 |
7 |
15549 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
15696 |
106.3 |
2.0 |
0.891 |
1 |
3 |
0 |
0.000 |
| 30 |
43 |
|
F |
13 |
5 |
15703 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
10 |
4 |
15883 |
95.4 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
| 31 |
44 |
|
F |
10 |
4 |
15703 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
11 |
4 |
15883 |
93.1 |
1.1 |
0.811 |
1 |
0 |
0 |
0.000 |
| 32 |
45 |
|
H |
10 |
3 |
15629 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
3 |
15696 |
77.9 |
-0.1 |
0.651 |
1 |
0 |
0 |
0.000 |
| 33 |
46 |
|
B |
7 |
4 |
15698 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
3 |
15696 |
74.9 |
-0.3 |
0.543 |
0 |
0 |
0 |
0.000 |
| 34 |
47 |
|
H |
7 |
1 |
15629 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
15608 |
51.3 |
0.9 |
0.829 |
1 |
0 |
0 |
0.000 |
| 35 |
48 |
|
A |
8 |
3 |
15863 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
2 |
15703 |
45.4 |
-0.7 |
0.430 |
0 |
0 |
0 |
0.000 |
| 36 |
49 |
|
F |
5 |
1 |
15703 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
15863 |
42.7 |
-0.5 |
0.316 |
0 |
0 |
0 |
0.000 |
| 37 |
50 |
|
G |
4 |
2 |
15608 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
15883 |
41.1 |
0.5 |
0.776 |
2 |
0 |
0 |
0.000 |
| 38 |
51 |
|
G |
6 |
2 |
15608 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
5 |
2 |
15698 |
37.1 |
-0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
| 39 |
52 |
|
H |
4 |
2 |
15629 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
15608 |
34.6 |
0.2 |
0.511 |
0 |
0 |
0 |
0.000 |
| 40 |
53 |
|
[NAD]H:800 |
1 |
1 |
859 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
15863 |
1.4 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
|