## |
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 |
195 |
50 |
11685 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
201 |
51 |
11469 |
1939.2 |
-31.8 |
0.012 |
11 |
5 |
0 |
0.359 |
2 |
|
C |
195 |
47 |
11601 |
◊ |
C |
-y+1,-x+1,-z+7/6 |
10_666 |
197 |
47 |
11601 |
1920.0 |
-34.1 |
0.006 |
12 |
6 |
0 |
0.359 |
3 |
|
E |
206 |
49 |
11509 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
200 |
50 |
11604 |
1916.1 |
-30.8 |
0.020 |
13 |
5 |
0 |
0.359 |
Average: |
1925.1 |
-32.3 |
0.013 |
12 |
5 |
0 |
0.359 |
2 |
4 |
|
D |
118 |
32 |
11685 |
◊ |
C |
x,y,z |
1_555 |
119 |
35 |
11601 |
1171.8 |
-7.4 |
0.439 |
14 |
5 |
0 |
0.264 |
5 |
|
E |
116 |
36 |
11509 |
◊ |
A |
x,y,z |
1_555 |
128 |
32 |
11604 |
1160.6 |
-3.9 |
0.642 |
16 |
6 |
0 |
0.264 |
6 |
|
C |
124 |
33 |
11601 |
◊ |
B |
x,y,z |
1_555 |
118 |
35 |
11469 |
1137.4 |
-7.3 |
0.450 |
15 |
4 |
0 |
0.264 |
7 |
|
B |
121 |
31 |
11469 |
◊ |
A |
x,y,z |
1_555 |
117 |
34 |
11604 |
1131.7 |
-5.3 |
0.551 |
13 |
5 |
0 |
0.264 |
8 |
|
E |
119 |
31 |
11509 |
◊ |
D |
x,y,z |
1_555 |
118 |
35 |
11685 |
1122.7 |
-5.1 |
0.573 |
13 |
3 |
0 |
0.264 |
Average: |
1144.8 |
-5.8 |
0.531 |
14 |
5 |
0 |
0.264 |
3 |
9 |
|
D |
36 |
10 |
11685 |
◊ |
A |
x-y+1,x,z-1/6 |
6_654 |
37 |
10 |
11604 |
323.0 |
-1.8 |
0.529 |
4 |
0 |
0 |
0.000 |
4 |
10 |
|
B |
31 |
10 |
11469 |
◊ |
A |
-x+1,-x+y,-z+4/3 |
9_656 |
38 |
12 |
11604 |
282.5 |
-1.5 |
0.461 |
0 |
0 |
0 |
0.000 |
11 |
|
E |
23 |
8 |
11509 |
◊ |
D |
x-y,-y+1,-z+1 |
8_566 |
32 |
10 |
11685 |
230.4 |
-3.4 |
0.314 |
0 |
0 |
0 |
0.000 |
Average: |
256.4 |
-2.5 |
0.387 |
0 |
0 |
0 |
0.000 |
5 |
12 |
|
A |
28 |
9 |
11604 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
28 |
9 |
11604 |
273.7 |
3.3 |
0.892 |
6 |
4 |
0 |
0.000 |
13 |
|
D |
29 |
9 |
11685 |
◊ |
C |
-y+1,-x+1,-z+7/6 |
10_666 |
31 |
9 |
11601 |
235.4 |
1.9 |
0.816 |
3 |
4 |
0 |
0.000 |
14 |
|
E |
24 |
7 |
11509 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
23 |
7 |
11469 |
208.5 |
2.3 |
0.860 |
2 |
2 |
0 |
0.000 |
Average: |
239.2 |
2.5 |
0.856 |
4 |
3 |
0 |
0.000 |
6 |
15 |
|
D |
17 |
4 |
11685 |
◊ |
D |
x-y,-y,-z+1 |
8_556 |
17 |
4 |
11685 |
143.8 |
1.4 |
0.795 |
0 |
6 |
0 |
0.000 |
7 |
16 |
|
D |
11 |
3 |
11685 |
◊ |
A |
-y+1,-x+1,-z+7/6 |
10_666 |
13 |
3 |
11604 |
112.1 |
1.3 |
0.772 |
0 |
0 |
0 |
0.000 |
17 |
|
E |
13 |
3 |
11509 |
◊ |
E |
-y+1,-x+1,-z+7/6 |
10_666 |
13 |
3 |
11509 |
107.5 |
0.6 |
0.737 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
10 |
5 |
11601 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
14 |
4 |
11469 |
98.7 |
0.1 |
0.586 |
2 |
0 |
0 |
0.000 |
Average: |
106.1 |
0.7 |
0.698 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
[IPA]B:302 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
11604 |
95.3 |
3.3 |
0.306 |
1 |
0 |
0 |
0.000 |
9 |
20 |
|
[IPA]D:305 |
4 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11685 |
88.5 |
2.5 |
0.261 |
1 |
0 |
0 |
0.000 |
10 |
21 |
|
[IPA]A:306 |
4 |
1 |
199 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
11509 |
85.9 |
2.6 |
0.284 |
2 |
0 |
0 |
0.000 |
11 |
22 |
|
[IPA]D:304 |
4 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
11601 |
83.3 |
2.0 |
0.239 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[IPA]B:303 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11469 |
82.6 |
1.5 |
0.213 |
2 |
0 |
0 |
0.000 |
13 |
24 |
|
[IPA]A:306 |
3 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11604 |
71.0 |
2.2 |
0.483 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[IPA]D:304 |
3 |
1 |
199 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
11685 |
70.6 |
1.8 |
0.239 |
1 |
0 |
0 |
0.000 |
15 |
26 |
|
[IPA]B:303 |
4 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
11601 |
69.3 |
2.1 |
0.239 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[IPA]D:305 |
4 |
1 |
198 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11509 |
66.4 |
1.9 |
0.247 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[IPA]B:302 |
4 |
1 |
199 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11469 |
64.5 |
1.8 |
0.251 |
1 |
0 |
0 |
0.000 |
18 |
29 |
|
[ZN]D:300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
11685 |
39.5 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.566 |
30 |
|
[ZN]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
11604 |
38.2 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.566 |
31 |
|
[ZN]C:300 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
11601 |
37.3 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.566 |
32 |
|
[ZN]E:300 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
11509 |
36.6 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.566 |
33 |
|
[ZN]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
11469 |
36.0 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.566 |
Average: |
37.5 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.566 |
19 |
34 |
|
[IPA]D:304 |
3 |
1 |
199 |
f |
[ZN]C:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.184 |
20 |
35 |
|
[IPA]A:306 |
3 |
1 |
199 |
f |
[ZN]E:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.100 |
21 |
36 |
|
[IPA]B:302 |
3 |
1 |
199 |
f |
[ZN]A:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.186 |
37 |
|
[IPA]B:303 |
3 |
1 |
198 |
f |
[ZN]B:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.186 |
38 |
|
[IPA]D:305 |
3 |
1 |
198 |
f |
[ZN]D:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.186 |
Average: |
24.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.186 |
22 |
39 |
|
[ZN]B:300 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11601 |
8.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
40 |
|
[ZN]E:300 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11604 |
5.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
41 |
|
[ZN]C:300 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11685 |
4.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.029 |
42 |
|
[ZN]A:300 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11469 |
3.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
5.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
23 |
43 |
|
[IPA]B:303 |
1 |
1 |
198 |
◊ |
D |
-y+1,-x+1,-z+7/6 |
10_666 |
2 |
1 |
11685 |
5.2 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
[IPA]D:305 |
1 |
1 |
198 |
◊ |
B |
-y+1,-x+1,-z+7/6 |
10_666 |
2 |
1 |
11469 |
2.1 |
0.0 |
0.767 |
0 |
0 |
0 |
0.000 |
|