| ## |
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 |
|
D |
203 |
57 |
11417 |
◊ |
C |
x,y,z |
1_555 |
219 |
62 |
12021 |
1903.7 |
-30.0 |
0.072 |
13 |
1 |
0 |
1.000 |
| 2 |
2 |
|
F |
196 |
57 |
11543 |
◊ |
E |
x,y,z |
1_555 |
203 |
60 |
11866 |
1772.3 |
-31.1 |
0.039 |
10 |
0 |
0 |
1.000 |
| 3 |
3 |
|
B |
181 |
56 |
38905 |
x |
B |
x-1,y,z |
1_455 |
163 |
49 |
38905 |
1593.9 |
-1.5 |
0.301 |
11 |
9 |
0 |
0.000 |
4 |
|
A |
172 |
54 |
39700 |
x |
A |
x-1,y,z |
1_455 |
177 |
49 |
39700 |
1593.3 |
-1.0 |
0.407 |
14 |
8 |
0 |
0.000 |
| Average: |
1593.6 |
-1.3 |
0.354 |
13 |
9 |
0 |
0.000 |
| 4 |
5 |
|
B |
139 |
42 |
38905 |
◊ |
A |
x,y,z |
1_555 |
137 |
40 |
39700 |
1317.2 |
-4.1 |
0.457 |
15 |
1 |
0 |
0.000 |
| 5 |
6 |
|
G |
64 |
10 |
1702 |
◊ |
A |
x,y,z |
1_555 |
126 |
42 |
39700 |
857.1 |
-12.1 |
0.295 |
6 |
2 |
0 |
0.278 |
| 6 |
7 |
|
A |
75 |
23 |
39700 |
◊ |
B |
-x,y-1/2,-z-1/2 |
4_544 |
78 |
28 |
38905 |
702.6 |
2.3 |
0.786 |
1 |
3 |
0 |
0.000 |
| 7 |
8 |
|
C |
65 |
13 |
12021 |
◊ |
A |
x,y,z |
1_555 |
65 |
20 |
39700 |
601.8 |
-2.3 |
0.629 |
11 |
2 |
0 |
0.000 |
| 8 |
9 |
|
E |
58 |
13 |
11866 |
◊ |
B |
x,y,z |
1_555 |
63 |
20 |
38905 |
593.7 |
-5.2 |
0.346 |
12 |
1 |
0 |
0.000 |
| 9 |
10 |
|
E |
63 |
26 |
11866 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
27 |
12021 |
582.8 |
-3.1 |
0.732 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
D |
46 |
15 |
11417 |
◊ |
A |
x-1,y,z |
1_455 |
44 |
15 |
39700 |
415.0 |
0.7 |
0.744 |
10 |
5 |
0 |
0.000 |
| 11 |
12 |
|
B |
46 |
15 |
38905 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
50 |
17 |
11417 |
402.9 |
-5.0 |
0.187 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
41 |
13 |
38905 |
◊ |
F |
x-1,y,z |
1_455 |
48 |
13 |
11543 |
391.2 |
-1.3 |
0.490 |
4 |
4 |
0 |
0.000 |
| 13 |
14 |
|
E |
40 |
13 |
11866 |
◊ |
F |
x-1,y,z |
1_455 |
38 |
13 |
11543 |
363.0 |
1.3 |
0.719 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
A |
29 |
8 |
39700 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
4_644 |
45 |
15 |
38905 |
253.3 |
0.4 |
0.666 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
B |
17 |
7 |
38905 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
33 |
11 |
39700 |
197.8 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
H |
16 |
3 |
500 |
◊ |
B |
x,y,z |
1_555 |
26 |
13 |
38905 |
185.8 |
-1.1 |
0.389 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
F |
19 |
8 |
11543 |
x |
F |
x-1/2,-y+1/2,-z-1 |
3_454 |
19 |
6 |
11543 |
172.3 |
-0.1 |
0.695 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
B |
19 |
6 |
38905 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
4_644 |
19 |
7 |
39700 |
171.6 |
-1.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
A |
17 |
5 |
39700 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
4_644 |
16 |
6 |
11543 |
143.7 |
-0.7 |
0.539 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
A |
16 |
10 |
39700 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
11 |
38905 |
130.4 |
-0.8 |
0.463 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
F |
14 |
5 |
11543 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
20 |
8 |
39700 |
130.0 |
0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
E |
7 |
4 |
11866 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
3 |
11417 |
51.6 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[ZN]B:2001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
38905 |
49.6 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.458 |
25 |
|
[ZN]A:1101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
39700 |
36.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.458 |
| Average: |
42.8 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.458 |
| 24 |
26 |
|
[ZN]A:1101 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
1702 |
33.1 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.264 |
| 25 |
27 |
|
F |
5 |
1 |
11543 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
12021 |
30.5 |
-0.4 |
0.290 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
A |
3 |
2 |
39700 |
x |
A |
-x,y-1/2,-z-1/2 |
4_544 |
7 |
3 |
39700 |
25.8 |
-0.4 |
0.339 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
B |
4 |
2 |
38905 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
3 |
12021 |
24.9 |
-0.8 |
0.292 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
B |
5 |
3 |
38905 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
11417 |
24.1 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
E |
4 |
2 |
11866 |
x |
E |
x-1,y,z |
1_455 |
4 |
2 |
11866 |
24.0 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
F |
3 |
1 |
11543 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
38905 |
16.0 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
D |
3 |
1 |
11417 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
39700 |
15.2 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
C |
2 |
1 |
12021 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
12021 |
11.9 |
-0.3 |
0.366 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
D |
2 |
2 |
11417 |
x |
D |
x-1/2,-y+1/2,-z |
3_455 |
2 |
2 |
11417 |
8.4 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
C |
1 |
1 |
12021 |
◊ |
D |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
11417 |
7.0 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
D |
1 |
1 |
11417 |
◊ |
C |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
12021 |
6.0 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
|