## |
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 |
|
C |
210 |
59 |
22495 |
◊ |
A |
x,y,z |
1_555 |
211 |
57 |
22306 |
2003.1 |
-4.9 |
0.425 |
28 |
6 |
0 |
0.338 |
2 |
|
D |
201 |
55 |
22587 |
◊ |
B |
x,y,z |
1_555 |
210 |
57 |
22360 |
1927.7 |
-7.5 |
0.330 |
26 |
4 |
0 |
0.338 |
Average: |
1965.4 |
-6.2 |
0.377 |
27 |
5 |
0 |
0.338 |
2 |
3 |
|
C |
198 |
52 |
22495 |
◊ |
B |
x,y,z |
1_555 |
197 |
51 |
22360 |
1791.5 |
-10.9 |
0.186 |
25 |
0 |
0 |
0.328 |
4 |
|
D |
195 |
50 |
22587 |
◊ |
A |
x,y,z |
1_555 |
196 |
51 |
22306 |
1766.3 |
-11.1 |
0.182 |
25 |
0 |
0 |
0.328 |
Average: |
1778.9 |
-11.0 |
0.184 |
25 |
0 |
0 |
0.328 |
3 |
5 |
|
D |
52 |
16 |
22587 |
◊ |
C |
x,y,z |
1_555 |
52 |
16 |
22495 |
468.0 |
-2.2 |
0.402 |
3 |
6 |
0 |
0.044 |
6 |
|
B |
53 |
17 |
22360 |
◊ |
A |
x,y,z |
1_555 |
56 |
18 |
22306 |
454.2 |
-2.8 |
0.355 |
1 |
4 |
0 |
0.044 |
Average: |
461.1 |
-2.5 |
0.378 |
2 |
5 |
0 |
0.044 |
4 |
7 |
|
C |
48 |
14 |
22495 |
x |
C |
-x,y-1/2,-z+2 |
2_547 |
41 |
9 |
22495 |
435.3 |
-1.7 |
0.384 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[DCP]C:705 |
28 |
1 |
574 |
f |
C |
x,y,z |
1_555 |
57 |
21 |
22495 |
394.8 |
-0.7 |
0.574 |
11 |
0 |
0 |
0.196 |
9 |
|
[DCP]D:703 |
27 |
1 |
574 |
f |
D |
x,y,z |
1_555 |
60 |
23 |
22587 |
393.5 |
0.1 |
0.638 |
13 |
0 |
0 |
0.196 |
10 |
|
[DCP]B:701 |
27 |
1 |
575 |
f |
B |
x,y,z |
1_555 |
55 |
21 |
22360 |
392.3 |
0.0 |
0.610 |
13 |
0 |
0 |
0.196 |
11 |
|
[DCP]A:701 |
26 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
58 |
22 |
22306 |
390.6 |
0.2 |
0.626 |
10 |
0 |
0 |
0.196 |
Average: |
392.8 |
-0.1 |
0.612 |
12 |
0 |
0 |
0.196 |
6 |
12 |
|
B |
41 |
12 |
22360 |
◊ |
A |
x,y,z-1 |
1_554 |
38 |
13 |
22306 |
343.7 |
1.5 |
0.671 |
2 |
3 |
0 |
0.000 |
7 |
13 |
|
C |
39 |
14 |
22495 |
◊ |
D |
x-1,y,z-1 |
1_454 |
30 |
11 |
22587 |
266.9 |
1.4 |
0.649 |
2 |
1 |
0 |
0.000 |
8 |
14 |
|
[GTP]D:704 |
26 |
1 |
586 |
◊ |
D |
x,y,z |
1_555 |
35 |
13 |
22587 |
220.0 |
-0.2 |
0.575 |
5 |
0 |
0 |
0.068 |
15 |
|
[GTP]C:706 |
26 |
1 |
589 |
◊ |
C |
x,y,z |
1_555 |
34 |
12 |
22495 |
217.0 |
-0.3 |
0.576 |
5 |
0 |
0 |
0.068 |
16 |
|
[GTP]C:704 |
26 |
1 |
591 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
22360 |
216.7 |
0.0 |
0.596 |
4 |
0 |
0 |
0.068 |
17 |
|
[GTP]D:701 |
26 |
1 |
585 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
22306 |
213.6 |
0.1 |
0.580 |
5 |
0 |
0 |
0.068 |
Average: |
216.8 |
-0.1 |
0.582 |
5 |
0 |
0 |
0.068 |
9 |
18 |
|
C |
26 |
11 |
22495 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
8 |
22360 |
209.1 |
0.8 |
0.522 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[GTP]C:706 |
22 |
1 |
589 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
22360 |
207.3 |
0.9 |
0.659 |
8 |
0 |
0 |
0.091 |
20 |
|
[GTP]C:704 |
22 |
1 |
591 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
22495 |
206.2 |
0.7 |
0.653 |
8 |
0 |
0 |
0.091 |
21 |
|
[GTP]D:701 |
21 |
1 |
585 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
22587 |
204.9 |
0.8 |
0.656 |
8 |
0 |
0 |
0.091 |
22 |
|
[GTP]D:704 |
22 |
1 |
586 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
22306 |
202.9 |
1.0 |
0.662 |
7 |
0 |
0 |
0.091 |
Average: |
205.3 |
0.9 |
0.657 |
8 |
0 |
0 |
0.091 |
11 |
23 |
|
[DTP]B:702 |
24 |
1 |
605 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
22587 |
191.4 |
0.7 |
0.529 |
5 |
0 |
0 |
0.022 |
24 |
|
[DTP]A:702 |
22 |
1 |
605 |
◊ |
C |
x,y,z |
1_555 |
24 |
9 |
22495 |
189.5 |
0.5 |
0.508 |
3 |
0 |
0 |
0.022 |
Average: |
190.5 |
0.6 |
0.519 |
4 |
0 |
0 |
0.022 |
12 |
25 |
|
[DTP]B:702 |
21 |
1 |
605 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
22360 |
179.9 |
2.0 |
0.631 |
7 |
0 |
0 |
0.013 |
26 |
|
[DTP]A:702 |
21 |
1 |
605 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
22306 |
177.3 |
1.9 |
0.637 |
7 |
0 |
0 |
0.013 |
Average: |
178.6 |
1.9 |
0.634 |
7 |
0 |
0 |
0.013 |
13 |
27 |
|
[DCP]C:701 |
21 |
1 |
577 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
22306 |
178.9 |
-0.2 |
0.503 |
5 |
0 |
0 |
0.036 |
28 |
|
[DCP]D:702 |
21 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
22360 |
174.7 |
-0.2 |
0.506 |
5 |
0 |
0 |
0.036 |
Average: |
176.8 |
-0.2 |
0.505 |
5 |
0 |
0 |
0.036 |
14 |
29 |
|
[DCP]C:701 |
21 |
1 |
577 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
22495 |
167.4 |
1.1 |
0.634 |
5 |
0 |
0 |
0.012 |
30 |
|
[DCP]D:702 |
20 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
22587 |
158.0 |
1.5 |
0.652 |
6 |
0 |
0 |
0.012 |
Average: |
162.7 |
1.3 |
0.643 |
6 |
0 |
0 |
0.012 |
15 |
31 |
|
A |
13 |
5 |
22306 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
12 |
4 |
22587 |
149.7 |
0.4 |
0.501 |
1 |
1 |
0 |
0.000 |
16 |
32 |
|
D |
17 |
7 |
22587 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
18 |
5 |
22306 |
149.6 |
0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
A |
15 |
7 |
22306 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
22360 |
107.4 |
-0.4 |
0.338 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
[DTP]A:702 |
13 |
1 |
605 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
22360 |
101.6 |
1.0 |
0.575 |
1 |
0 |
0 |
0.000 |
35 |
|
[DTP]B:702 |
13 |
1 |
605 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
22306 |
99.5 |
0.9 |
0.567 |
1 |
0 |
0 |
0.000 |
Average: |
100.6 |
0.9 |
0.571 |
1 |
0 |
0 |
0.000 |
19 |
36 |
|
[DCP]D:702 |
13 |
1 |
573 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
22495 |
100.9 |
0.6 |
0.582 |
4 |
0 |
0 |
0.021 |
37 |
|
[DCP]C:701 |
12 |
1 |
577 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
22587 |
96.7 |
0.8 |
0.603 |
3 |
0 |
0 |
0.021 |
Average: |
98.8 |
0.7 |
0.592 |
4 |
0 |
0 |
0.021 |
20 |
38 |
|
[GTP]C:704 |
12 |
1 |
591 |
f |
[DCP]D:702 |
x,y,z |
1_555 |
12 |
1 |
573 |
95.3 |
-2.3 |
0.331 |
0 |
0 |
0 |
0.041 |
39 |
|
[GTP]D:701 |
13 |
1 |
585 |
f |
[DCP]C:701 |
x,y,z |
1_555 |
11 |
1 |
577 |
93.4 |
-2.0 |
0.353 |
0 |
0 |
0 |
0.041 |
Average: |
94.3 |
-2.2 |
0.342 |
0 |
0 |
0 |
0.041 |
21 |
40 |
|
[GTP]C:706 |
13 |
1 |
589 |
f |
[DTP]A:702 |
x,y,z |
1_555 |
12 |
1 |
605 |
93.5 |
-2.1 |
0.322 |
0 |
0 |
0 |
0.038 |
41 |
|
[GTP]D:704 |
12 |
1 |
586 |
f |
[DTP]B:702 |
x,y,z |
1_555 |
12 |
1 |
605 |
92.3 |
-2.1 |
0.314 |
0 |
0 |
0 |
0.038 |
Average: |
92.9 |
-2.1 |
0.318 |
0 |
0 |
0 |
0.038 |
22 |
42 |
|
D |
13 |
6 |
22587 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
3 |
22360 |
83.4 |
0.5 |
0.651 |
3 |
0 |
0 |
0.000 |
23 |
43 |
|
C |
11 |
5 |
22495 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
3 |
22360 |
73.3 |
-1.1 |
0.224 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
B |
7 |
4 |
22360 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
6 |
22360 |
52.1 |
2.0 |
0.874 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
A |
7 |
4 |
22306 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
3 |
22587 |
49.3 |
-0.6 |
0.380 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[GTP]C:704 |
4 |
1 |
591 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22587 |
35.4 |
1.7 |
0.712 |
1 |
0 |
0 |
0.000 |
47 |
|
[GTP]D:701 |
5 |
1 |
585 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22495 |
35.1 |
1.6 |
0.715 |
3 |
0 |
0 |
0.000 |
48 |
|
[GTP]C:706 |
5 |
1 |
589 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22306 |
34.6 |
1.6 |
0.730 |
2 |
0 |
0 |
0.000 |
49 |
|
[GTP]D:704 |
5 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22360 |
34.3 |
1.7 |
0.730 |
2 |
0 |
0 |
0.000 |
Average: |
34.8 |
1.7 |
0.722 |
2 |
0 |
0 |
0.000 |
27 |
50 |
|
[GTP]C:706 |
5 |
1 |
589 |
f |
[MG]A:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.165 |
51 |
|
[GTP]D:701 |
5 |
1 |
585 |
f |
[MG]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.165 |
52 |
|
[GTP]C:704 |
5 |
1 |
591 |
f |
[MG]C:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.165 |
53 |
|
[GTP]D:704 |
5 |
1 |
586 |
f |
[MG]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.165 |
Average: |
31.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.165 |
28 |
54 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[DTP]B:702 |
x,y,z |
1_555 |
3 |
1 |
605 |
27.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
55 |
|
[MG]A:703 |
1 |
1 |
98 |
f |
[DTP]A:702 |
x,y,z |
1_555 |
3 |
1 |
605 |
27.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
27.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.065 |
29 |
56 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[DCP]C:701 |
x,y,z |
1_555 |
4 |
1 |
577 |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
57 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
[DCP]D:702 |
x,y,z |
1_555 |
2 |
1 |
573 |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
30 |
58 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
22495 |
15.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.021 |
59 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
22587 |
15.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.021 |
60 |
|
[MG]A:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
22360 |
15.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.021 |
61 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
22306 |
14.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
14.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.021 |
31 |
62 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22360 |
15.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
63 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22587 |
13.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22495 |
13.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
65 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22306 |
12.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
13.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
32 |
66 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22306 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22587 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
68 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22360 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
69 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22495 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
|