| ## |
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 |
|
B |
64 |
12 |
3335 |
◊ |
A |
x,y,z |
1_555 |
66 |
12 |
2868 |
598.5 |
-4.1 |
0.937 |
28 |
0 |
0 |
0.540 |
2 |
|
F |
63 |
12 |
3337 |
◊ |
E |
x,y,z |
1_555 |
65 |
12 |
2862 |
598.2 |
-4.2 |
0.935 |
28 |
0 |
0 |
0.540 |
| Average: |
598.4 |
-4.2 |
0.936 |
28 |
0 |
0 |
0.540 |
| 2 |
3 |
|
H |
68 |
12 |
3355 |
◊ |
G |
x,y,z |
1_555 |
61 |
12 |
2829 |
579.6 |
-5.1 |
0.912 |
26 |
0 |
0 |
0.284 |
4 |
|
D |
71 |
12 |
3349 |
◊ |
C |
x,y,z |
1_555 |
62 |
12 |
2824 |
578.6 |
-5.0 |
0.919 |
25 |
0 |
0 |
0.284 |
| Average: |
579.1 |
-5.0 |
0.915 |
26 |
0 |
0 |
0.284 |
| 3 |
5 |
|
F |
19 |
3 |
3337 |
◊ |
E |
x-1,y,z |
1_455 |
18 |
3 |
2862 |
156.9 |
-0.7 |
0.812 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
19 |
3 |
3335 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
3 |
2868 |
156.6 |
-0.7 |
0.808 |
3 |
0 |
0 |
0.000 |
7 |
|
D |
17 |
3 |
3349 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
4 |
2824 |
146.7 |
-0.3 |
0.797 |
3 |
0 |
0 |
0.000 |
8 |
|
H |
17 |
3 |
3355 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
4 |
2829 |
142.7 |
-0.1 |
0.807 |
4 |
0 |
0 |
0.000 |
| Average: |
150.7 |
-0.4 |
0.806 |
3 |
0 |
0 |
0.000 |
| 4 |
9 |
|
D |
17 |
3 |
3349 |
◊ |
H |
x-1,y-1,z |
1_445 |
18 |
3 |
3355 |
138.5 |
-1.8 |
0.679 |
2 |
0 |
0 |
0.020 |
| 5 |
10 |
|
B |
14 |
3 |
3335 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
16 |
3 |
3337 |
138.2 |
-2.3 |
0.652 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
B |
17 |
3 |
3335 |
◊ |
G |
x-1,y-1,z |
1_445 |
14 |
3 |
2829 |
123.6 |
-5.0 |
0.496 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
3 |
2824 |
◊ |
F |
x-1,y-1,z |
1_445 |
15 |
3 |
3337 |
122.7 |
-5.1 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
123.1 |
-5.0 |
0.476 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
C |
18 |
4 |
2824 |
◊ |
G |
x-1,y-1,z |
1_445 |
18 |
4 |
2829 |
119.4 |
0.5 |
0.877 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
G |
16 |
1 |
2829 |
◊ |
E |
x,y,z |
1_555 |
16 |
1 |
2862 |
111.5 |
0.3 |
0.858 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
15 |
1 |
2824 |
◊ |
A |
x,y,z |
1_555 |
16 |
1 |
2868 |
111.1 |
0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| Average: |
111.3 |
0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
H |
13 |
3 |
3355 |
x |
H |
x-1,y,z |
1_455 |
14 |
2 |
3355 |
110.3 |
-2.0 |
0.601 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
15 |
3 |
3349 |
x |
D |
x-1,y,z |
1_455 |
14 |
2 |
3349 |
109.9 |
-2.4 |
0.595 |
0 |
0 |
0 |
0.000 |
18 |
|
F |
13 |
2 |
3337 |
x |
F |
x-1,y,z |
1_455 |
14 |
3 |
3337 |
104.3 |
-1.8 |
0.663 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
12 |
2 |
3335 |
x |
B |
x-1,y,z |
1_455 |
14 |
3 |
3335 |
101.7 |
-1.7 |
0.653 |
0 |
0 |
0 |
0.000 |
| Average: |
106.5 |
-2.0 |
0.628 |
0 |
0 |
0 |
0.000 |
| 10 |
20 |
|
B |
17 |
2 |
3335 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
15 |
3 |
2862 |
108.2 |
-1.7 |
0.728 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
15 |
3 |
2868 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
18 |
2 |
3337 |
107.3 |
-1.8 |
0.725 |
0 |
0 |
0 |
0.000 |
| Average: |
107.8 |
-1.8 |
0.727 |
0 |
0 |
0 |
0.000 |
| 11 |
22 |
|
A |
17 |
1 |
2868 |
◊ |
C |
x,y-1,z-1 |
1_544 |
17 |
1 |
2824 |
107.1 |
2.4 |
0.922 |
0 |
0 |
0 |
0.000 |
23 |
|
G |
17 |
1 |
2829 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
17 |
1 |
2862 |
106.0 |
2.3 |
0.920 |
0 |
0 |
0 |
0.000 |
| Average: |
106.5 |
2.4 |
0.921 |
0 |
0 |
0 |
0.000 |
| 12 |
24 |
|
H |
14 |
1 |
3355 |
◊ |
F |
x,y,z |
1_555 |
14 |
1 |
3337 |
99.2 |
2.4 |
0.889 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
13 |
1 |
3349 |
◊ |
B |
x,y,z |
1_555 |
14 |
1 |
3335 |
93.8 |
2.7 |
0.896 |
0 |
0 |
0 |
0.000 |
| Average: |
96.5 |
2.6 |
0.892 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
H |
15 |
1 |
3355 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
13 |
1 |
3337 |
94.8 |
2.6 |
0.890 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
13 |
1 |
3335 |
◊ |
D |
x,y-1,z-1 |
1_544 |
13 |
1 |
3349 |
94.6 |
2.5 |
0.887 |
0 |
0 |
0 |
0.000 |
| Average: |
94.7 |
2.5 |
0.889 |
0 |
0 |
0 |
0.000 |
| 14 |
28 |
|
D |
10 |
1 |
3349 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
2829 |
75.9 |
-1.8 |
0.579 |
2 |
0 |
0 |
0.000 |
29 |
|
C |
9 |
2 |
2824 |
◊ |
H |
x-1,y,z |
1_455 |
10 |
1 |
3355 |
72.9 |
-1.9 |
0.557 |
2 |
0 |
0 |
0.000 |
| Average: |
74.4 |
-1.8 |
0.568 |
2 |
0 |
0 |
0.000 |
| 15 |
30 |
|
B |
6 |
2 |
3335 |
◊ |
E |
x-1,y-2,z-1 |
1_434 |
9 |
2 |
2862 |
73.8 |
-1.8 |
0.541 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
9 |
2 |
2868 |
◊ |
F |
x-2,y-2,z-1 |
1_334 |
6 |
2 |
3337 |
72.7 |
-1.7 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
73.3 |
-1.8 |
0.545 |
0 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[NA]H:903 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
3355 |
63.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.203 |
33 |
|
[NA]D:901 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
3349 |
61.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.203 |
| Average: |
62.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.203 |
| 17 |
34 |
|
A |
10 |
1 |
2868 |
◊ |
D |
x,y-1,z-1 |
1_544 |
10 |
1 |
3349 |
62.8 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
35 |
|
H |
10 |
1 |
3355 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
9 |
1 |
2862 |
60.3 |
0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
61.6 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[NA]H:902 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
3355 |
55.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.262 |
37 |
|
[NA]C:904 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
3349 |
54.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.262 |
38 |
|
[NA]B:911 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
3335 |
54.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.262 |
39 |
|
[NA]E:912 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
3337 |
54.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.262 |
| Average: |
54.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.262 |
| 19 |
40 |
|
C |
12 |
3 |
2824 |
◊ |
H |
x-1,y-1,z |
1_445 |
6 |
2 |
3355 |
54.9 |
-3.7 |
0.369 |
0 |
0 |
0 |
0.055 |
41 |
|
D |
6 |
2 |
3349 |
◊ |
G |
x-1,y-1,z |
1_445 |
8 |
3 |
2829 |
52.2 |
-3.6 |
0.347 |
0 |
0 |
0 |
0.055 |
| Average: |
53.6 |
-3.6 |
0.358 |
0 |
0 |
0 |
0.055 |
| 20 |
42 |
|
[NA]C:906 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
2824 |
54.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.137 |
43 |
|
[NA]G:905 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
2829 |
53.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
53.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| 21 |
44 |
|
D |
4 |
1 |
3349 |
◊ |
F |
x-2,y-1,z |
1_345 |
7 |
2 |
3337 |
45.4 |
-0.5 |
0.595 |
1 |
0 |
0 |
0.000 |
45 |
|
B |
7 |
2 |
3335 |
◊ |
H |
x,y-1,z |
1_545 |
4 |
1 |
3355 |
45.1 |
-0.5 |
0.600 |
1 |
0 |
0 |
0.000 |
| Average: |
45.2 |
-0.5 |
0.598 |
1 |
0 |
0 |
0.000 |
| 22 |
46 |
|
D |
8 |
2 |
3349 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
1 |
3355 |
45.0 |
-2.1 |
0.373 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
8 |
2 |
3355 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
3349 |
40.6 |
-2.2 |
0.359 |
0 |
0 |
0 |
0.000 |
| Average: |
42.8 |
-2.1 |
0.366 |
0 |
0 |
0 |
0.000 |
| 23 |
48 |
|
[NA]E:912 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
2862 |
43.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.209 |
49 |
|
[NA]C:904 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
2824 |
41.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.209 |
50 |
|
[NA]B:911 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
2868 |
41.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.209 |
51 |
|
[NA]H:902 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
2829 |
41.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.209 |
| Average: |
42.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.209 |
| 24 |
52 |
|
B |
5 |
1 |
3335 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
2824 |
40.4 |
-0.4 |
0.656 |
0 |
0 |
0 |
0.000 |
53 |
|
F |
5 |
1 |
3337 |
◊ |
G |
x,y,z |
1_555 |
7 |
1 |
2829 |
37.4 |
-0.5 |
0.643 |
0 |
0 |
0 |
0.000 |
| Average: |
38.9 |
-0.4 |
0.649 |
0 |
0 |
0 |
0.000 |
| 25 |
54 |
|
[NA]C:913 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
2824 |
39.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.085 |
55 |
|
[NA]G:914 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
2829 |
37.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
38.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.085 |
| 26 |
56 |
|
A |
4 |
1 |
2868 |
◊ |
G |
x-1,y-1,z |
1_445 |
7 |
2 |
2829 |
35.5 |
-0.3 |
0.665 |
2 |
0 |
0 |
0.000 |
57 |
|
C |
7 |
2 |
2824 |
◊ |
E |
x-1,y-1,z |
1_445 |
3 |
1 |
2862 |
35.2 |
-0.2 |
0.686 |
2 |
0 |
0 |
0.000 |
| Average: |
35.4 |
-0.2 |
0.675 |
2 |
0 |
0 |
0.000 |
| 27 |
58 |
|
C |
4 |
1 |
2824 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
6 |
2 |
3335 |
32.4 |
-1.8 |
0.460 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
4 |
1 |
2829 |
◊ |
F |
x-2,y-1,z-1 |
1_344 |
6 |
2 |
3337 |
31.4 |
-1.8 |
0.462 |
0 |
0 |
0 |
0.000 |
| Average: |
31.9 |
-1.8 |
0.461 |
0 |
0 |
0 |
0.000 |
| 28 |
60 |
|
C |
7 |
2 |
2824 |
◊ |
[NA]G:914 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
31.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
61 |
|
[NA]C:913 |
1 |
1 |
125 |
◊ |
G |
x-1,y-1,z |
1_445 |
7 |
2 |
2829 |
25.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
28.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.043 |
| 29 |
62 |
|
[NA]C:913 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
3349 |
29.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.059 |
63 |
|
[NA]G:914 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
3355 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
28.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| 30 |
64 |
|
G |
6 |
2 |
2829 |
x |
G |
x-1,y,z |
1_455 |
2 |
1 |
2829 |
28.0 |
-0.9 |
0.484 |
0 |
0 |
0 |
0.000 |
65 |
|
C |
6 |
2 |
2824 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
2824 |
27.2 |
-0.9 |
0.491 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
5 |
2 |
2868 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
2868 |
22.3 |
-1.2 |
0.451 |
0 |
0 |
0 |
0.000 |
67 |
|
E |
4 |
2 |
2862 |
x |
E |
x-1,y,z |
1_455 |
2 |
1 |
2862 |
22.3 |
-1.2 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
25.0 |
-1.0 |
0.465 |
0 |
0 |
0 |
0.000 |
| 31 |
68 |
|
[NA]G:905 |
1 |
1 |
125 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
2 |
3355 |
25.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[NA]C:906 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
3349 |
22.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
70 |
|
E |
5 |
2 |
2862 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
3337 |
25.3 |
-0.8 |
0.426 |
0 |
0 |
0 |
0.000 |
71 |
|
A |
5 |
2 |
2868 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
3335 |
25.1 |
-0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
| Average: |
25.2 |
-0.8 |
0.424 |
0 |
0 |
0 |
0.000 |
| 33 |
72 |
|
[NA]C:913 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
3335 |
22.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[NA]G:914 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
3337 |
22.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
22.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
74 |
|
D |
3 |
1 |
3349 |
◊ |
H |
x-2,y-1,z |
1_345 |
1 |
1 |
3355 |
20.8 |
0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
75 |
|
D |
1 |
1 |
3349 |
◊ |
H |
x,y-1,z |
1_545 |
3 |
1 |
3355 |
20.5 |
0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| Average: |
20.7 |
0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 35 |
76 |
|
[NA]G:914 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2862 |
18.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[NA]C:913 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
2868 |
16.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
78 |
|
C |
4 |
2 |
2824 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
3349 |
15.0 |
-1.0 |
0.435 |
0 |
0 |
0 |
0.000 |
79 |
|
G |
4 |
2 |
2829 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
3355 |
13.6 |
-1.1 |
0.432 |
0 |
0 |
0 |
0.000 |
| Average: |
14.3 |
-1.1 |
0.434 |
0 |
0 |
0 |
0.000 |
| 37 |
80 |
|
[NA]D:901 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
3349 |
5.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
81 |
|
H |
1 |
1 |
3355 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
2862 |
2.4 |
0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
| 39 |
82 |
|
A |
1 |
1 |
2868 |
◊ |
H |
x-1,y-1,z |
1_445 |
1 |
1 |
3355 |
2.4 |
-0.0 |
0.404 |
0 |
0 |
0 |
0.000 |
83 |
|
D |
1 |
1 |
3349 |
◊ |
E |
x-1,y-1,z |
1_445 |
1 |
1 |
2862 |
1.7 |
-0.0 |
0.413 |
0 |
0 |
0 |
0.000 |
| Average: |
2.0 |
-0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
| 40 |
84 |
|
A |
1 |
1 |
2868 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
3349 |
0.7 |
-0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
|