## |
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 |
216 |
61 |
24005 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
217 |
61 |
24005 |
2080.6 |
-0.1 |
0.640 |
28 |
4 |
0 |
0.116 |
2 |
|
A |
211 |
60 |
22532 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
211 |
60 |
22532 |
2035.2 |
-1.5 |
0.600 |
30 |
6 |
0 |
0.116 |
Average: |
2057.9 |
-0.8 |
0.620 |
29 |
5 |
0 |
0.116 |
2 |
3 |
|
B |
195 |
50 |
24005 |
◊ |
A |
x,y,z |
1_555 |
196 |
49 |
22532 |
1737.4 |
-11.7 |
0.168 |
24 |
0 |
0 |
0.164 |
3 |
4 |
|
B |
59 |
20 |
24005 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
66 |
22 |
22532 |
569.1 |
-4.5 |
0.245 |
2 |
4 |
0 |
0.037 |
4 |
5 |
|
B |
57 |
21 |
24005 |
◊ |
A |
-x+5/2,y-1/2,-z+2 |
4_747 |
62 |
21 |
22532 |
494.6 |
5.5 |
0.886 |
8 |
10 |
0 |
0.000 |
5 |
6 |
|
[DGT]A:702 |
30 |
1 |
614 |
f |
A |
x,y,z |
1_555 |
60 |
23 |
22532 |
416.7 |
1.6 |
0.660 |
13 |
0 |
0 |
0.064 |
7 |
|
[DGT]B:804 |
30 |
1 |
615 |
f |
B |
x,y,z |
1_555 |
58 |
21 |
24005 |
413.7 |
1.7 |
0.643 |
13 |
0 |
0 |
0.064 |
Average: |
415.2 |
1.6 |
0.652 |
13 |
0 |
0 |
0.064 |
6 |
8 |
|
B |
53 |
11 |
24005 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
38 |
9 |
24005 |
408.0 |
-5.9 |
0.102 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
21 |
7 |
24005 |
◊ |
A |
-x+5/2,y-1/2,-z+3 |
4_748 |
25 |
8 |
22532 |
232.2 |
-1.0 |
0.322 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
[DGT]A:704 |
25 |
1 |
586 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
24005 |
221.4 |
-0.3 |
0.433 |
4 |
0 |
0 |
0.032 |
11 |
|
[DGT]B:801 |
25 |
1 |
587 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
22532 |
219.4 |
-0.3 |
0.443 |
4 |
0 |
0 |
0.032 |
Average: |
220.4 |
-0.3 |
0.438 |
4 |
0 |
0 |
0.032 |
9 |
12 |
|
[DGT]B:801 |
19 |
1 |
587 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
24005 |
200.7 |
3.1 |
0.714 |
8 |
0 |
0 |
0.008 |
13 |
|
[DGT]A:704 |
20 |
1 |
586 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
22532 |
198.3 |
2.9 |
0.697 |
8 |
0 |
0 |
0.008 |
Average: |
199.5 |
3.0 |
0.706 |
8 |
0 |
0 |
0.008 |
10 |
14 |
|
[DGT]A:703 |
25 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
22532 |
191.5 |
0.0 |
0.507 |
5 |
0 |
0 |
0.032 |
11 |
15 |
|
[DTP]B:805 |
24 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
24005 |
187.2 |
-1.3 |
0.269 |
2 |
0 |
0 |
0.033 |
12 |
16 |
|
[DGT]A:703 |
22 |
1 |
621 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
20 |
7 |
22532 |
186.4 |
1.5 |
0.652 |
8 |
0 |
0 |
0.030 |
13 |
17 |
|
[DTP]B:805 |
20 |
1 |
609 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
21 |
7 |
24005 |
179.4 |
2.3 |
0.659 |
7 |
0 |
0 |
0.013 |
14 |
18 |
|
B |
19 |
6 |
24005 |
◊ |
B |
-x+3,y,-z+2 |
2_857 |
19 |
6 |
24005 |
150.3 |
-0.3 |
0.538 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
A |
11 |
5 |
22532 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
21 |
6 |
24005 |
117.4 |
0.1 |
0.533 |
2 |
1 |
0 |
0.000 |
16 |
20 |
|
[DGT]A:703 |
14 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
24005 |
105.3 |
0.9 |
0.586 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[DTP]B:805 |
13 |
1 |
609 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
22532 |
102.5 |
1.1 |
0.576 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[DTP]B:805 |
12 |
1 |
609 |
f |
[DGT]A:704 |
x,y,z |
1_555 |
11 |
1 |
586 |
90.8 |
-0.7 |
0.354 |
0 |
0 |
0 |
0.011 |
19 |
23 |
|
[DGT]B:801 |
12 |
1 |
587 |
f |
[DGT]A:703 |
x,y,z |
1_555 |
12 |
1 |
621 |
90.2 |
-0.7 |
0.376 |
0 |
0 |
0 |
0.011 |
20 |
24 |
|
[ZN]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22532 |
48.4 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.560 |
25 |
|
[ZN]B:803 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
24005 |
48.3 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.560 |
Average: |
48.3 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.560 |
21 |
26 |
|
[DGT]B:801 |
5 |
1 |
587 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
2 |
1 |
22532 |
37.8 |
1.1 |
0.656 |
3 |
0 |
0 |
0.003 |
27 |
|
[DGT]A:704 |
5 |
1 |
586 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
2 |
1 |
24005 |
35.7 |
1.0 |
0.649 |
2 |
0 |
0 |
0.003 |
Average: |
36.7 |
1.1 |
0.652 |
3 |
0 |
0 |
0.003 |
22 |
28 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[DGT]B:801 |
x,y,z |
1_555 |
5 |
1 |
587 |
31.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
29 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[DGT]A:704 |
x,y,z |
1_555 |
5 |
1 |
586 |
30.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
30.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
23 |
30 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[DGT]A:703 |
x,y,z |
1_555 |
4 |
1 |
621 |
27.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.052 |
24 |
31 |
|
[DTP]B:805 |
4 |
1 |
609 |
f |
[MG]A:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.053 |
25 |
32 |
|
A |
5 |
3 |
22532 |
◊ |
A |
-x+3,y,-z+2 |
2_857 |
5 |
3 |
22532 |
24.9 |
0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
A |
-x+3,y,-z+3 |
2_858 |
2 |
1 |
22532 |
14.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
34 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
B |
-x+3,y,-z+3 |
2_858 |
2 |
1 |
24005 |
14.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
14.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
27 |
35 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
22532 |
13.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
36 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
24005 |
13.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
13.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
37 |
|
[DGT]A:702 |
3 |
1 |
614 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.046 |
38 |
|
[DGT]B:804 |
3 |
1 |
615 |
f |
[ZN]B:803 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
7.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.046 |
29 |
39 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
24005 |
6.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
40 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
22532 |
5.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
6.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
|