## |
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 |
193 |
55 |
12806 |
◊ |
A |
x,y,z |
1_555 |
192 |
53 |
13226 |
1883.4 |
-24.4 |
0.018 |
27 |
0 |
0 |
0.563 |
2 |
|
D |
195 |
54 |
13179 |
◊ |
C |
x,y,z |
1_555 |
198 |
56 |
13174 |
1872.4 |
-23.9 |
0.020 |
26 |
0 |
0 |
0.563 |
Average: |
1877.9 |
-24.2 |
0.019 |
27 |
0 |
0 |
0.563 |
2 |
3 |
|
C |
81 |
22 |
13174 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
13226 |
670.2 |
-2.7 |
0.514 |
12 |
6 |
0 |
0.012 |
4 |
|
D |
80 |
23 |
13179 |
◊ |
B |
x,y,z |
1_555 |
78 |
22 |
12806 |
668.8 |
-4.6 |
0.380 |
7 |
10 |
0 |
0.012 |
Average: |
669.5 |
-3.7 |
0.447 |
10 |
8 |
0 |
0.012 |
3 |
5 |
|
B |
66 |
17 |
12806 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
58 |
18 |
13226 |
514.9 |
-2.5 |
0.498 |
3 |
1 |
0 |
0.000 |
4 |
6 |
|
D |
34 |
12 |
13179 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
32 |
11 |
13226 |
264.5 |
-0.2 |
0.622 |
2 |
1 |
0 |
0.000 |
5 |
7 |
|
C |
26 |
12 |
13174 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
28 |
8 |
13226 |
262.5 |
2.4 |
0.831 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
C |
20 |
6 |
13174 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
7 |
12806 |
232.1 |
-0.2 |
0.602 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
25 |
9 |
13174 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
12806 |
217.9 |
2.8 |
0.861 |
5 |
4 |
0 |
0.000 |
10 |
|
D |
22 |
8 |
13179 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
13226 |
197.3 |
2.3 |
0.845 |
3 |
4 |
0 |
0.000 |
Average: |
207.6 |
2.6 |
0.853 |
4 |
4 |
0 |
0.000 |
8 |
11 |
|
[MPD]A:304 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
13226 |
190.2 |
-13.2 |
0.459 |
1 |
0 |
0 |
0.186 |
9 |
12 |
|
[9KH]C:302 |
13 |
1 |
332 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
13174 |
183.0 |
1.1 |
0.317 |
5 |
0 |
0 |
0.043 |
13 |
|
[9KH]A:302 |
13 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
13226 |
181.2 |
1.3 |
0.347 |
4 |
0 |
0 |
0.043 |
14 |
|
[9KH]D:302 |
13 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
33 |
13 |
13179 |
181.1 |
0.6 |
0.315 |
5 |
0 |
0 |
0.043 |
15 |
|
[9KH]B:302 |
13 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
12806 |
179.4 |
0.9 |
0.333 |
5 |
0 |
0 |
0.043 |
Average: |
181.2 |
1.0 |
0.328 |
5 |
0 |
0 |
0.043 |
10 |
16 |
|
[MPD]B:303 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
12806 |
180.8 |
-12.5 |
0.512 |
1 |
0 |
0 |
0.177 |
11 |
17 |
|
[MPD]D:303 |
7 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
26 |
11 |
13179 |
174.2 |
-12.1 |
0.519 |
1 |
0 |
0 |
0.198 |
12 |
18 |
|
[MPD]C:303 |
7 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
13174 |
172.6 |
-12.1 |
0.493 |
1 |
0 |
0 |
0.199 |
13 |
19 |
|
C |
18 |
7 |
13174 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
18 |
7 |
13179 |
169.6 |
2.2 |
0.812 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
C |
22 |
6 |
13174 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
20 |
9 |
12806 |
151.3 |
0.1 |
0.635 |
2 |
2 |
0 |
0.000 |
15 |
21 |
|
[MPD]A:303 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
13226 |
127.3 |
-7.9 |
0.728 |
1 |
0 |
0 |
0.114 |
16 |
22 |
|
[9KH]C:302 |
12 |
1 |
332 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
13179 |
108.9 |
-0.1 |
0.152 |
0 |
0 |
0 |
0.005 |
23 |
|
[9KH]D:302 |
12 |
1 |
331 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
13174 |
108.6 |
-0.1 |
0.143 |
0 |
0 |
0 |
0.005 |
24 |
|
[9KH]B:302 |
12 |
1 |
328 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
13226 |
107.4 |
-0.0 |
0.162 |
0 |
0 |
0 |
0.005 |
25 |
|
[9KH]A:302 |
12 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
12806 |
106.8 |
-0.3 |
0.145 |
0 |
0 |
0 |
0.005 |
Average: |
107.9 |
-0.1 |
0.151 |
0 |
0 |
0 |
0.005 |
17 |
26 |
|
B |
16 |
7 |
12806 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
7 |
13179 |
108.2 |
0.5 |
0.693 |
1 |
1 |
0 |
0.000 |
18 |
27 |
|
[DMS]C:304 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
13174 |
101.2 |
0.7 |
0.318 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[DMS]C:305 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
13174 |
96.6 |
1.2 |
0.398 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[DMS]B:304 |
3 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
12806 |
90.1 |
3.1 |
0.518 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[DMS]C:306 |
4 |
1 |
207 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
13174 |
83.7 |
2.6 |
0.524 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[DMS]C:306 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13226 |
76.6 |
0.8 |
0.408 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
[DMS]B:304 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
13179 |
72.3 |
0.4 |
0.390 |
1 |
0 |
0 |
0.001 |
24 |
33 |
|
C |
9 |
3 |
13174 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
2 |
13226 |
68.0 |
1.1 |
0.742 |
2 |
2 |
0 |
0.000 |
25 |
34 |
|
D |
5 |
2 |
13179 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
3 |
13226 |
50.4 |
0.4 |
0.704 |
1 |
1 |
0 |
0.000 |
26 |
35 |
|
[DMS]C:304 |
3 |
1 |
206 |
f |
[MPD]C:303 |
x,y,z |
1_555 |
4 |
1 |
279 |
41.8 |
-0.9 |
0.000 |
1 |
0 |
0 |
0.022 |
27 |
36 |
|
D |
7 |
2 |
13179 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
12806 |
31.7 |
-0.3 |
0.478 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
D |
3 |
2 |
13179 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
13179 |
23.0 |
0.9 |
0.836 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
A |
2 |
1 |
13226 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
12806 |
22.8 |
-0.6 |
0.159 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
1 |
1 |
13174 |
◊ |
D |
x-1,y,z-1 |
1_454 |
2 |
1 |
13179 |
19.8 |
-0.4 |
0.223 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
-0.5 |
0.191 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
C |
6 |
2 |
13174 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
13174 |
20.8 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
A |
4 |
2 |
13226 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
13179 |
16.9 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
|