## |
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 |
174 |
47 |
15702 |
◊ |
A |
x,y,z |
1_555 |
176 |
48 |
15497 |
1659.8 |
-18.3 |
0.126 |
21 |
0 |
0 |
0.197 |
2 |
|
D |
176 |
47 |
15579 |
◊ |
C |
x,y,z |
1_555 |
175 |
47 |
15509 |
1632.7 |
-18.3 |
0.146 |
19 |
0 |
0 |
0.197 |
Average: |
1646.3 |
-18.3 |
0.136 |
20 |
0 |
0 |
0.197 |
2 |
3 |
|
[NAI]B:403 |
43 |
1 |
863 |
f |
B |
x,y,z |
1_555 |
70 |
35 |
15702 |
595.4 |
-10.5 |
0.201 |
13 |
0 |
0 |
0.238 |
4 |
|
[NAI]D:403 |
43 |
1 |
861 |
f |
D |
x,y,z |
1_555 |
75 |
36 |
15579 |
594.1 |
-10.2 |
0.232 |
15 |
0 |
0 |
0.238 |
5 |
|
[NAI]C:403 |
41 |
1 |
864 |
f |
C |
x,y,z |
1_555 |
74 |
35 |
15509 |
593.1 |
-10.2 |
0.230 |
14 |
0 |
0 |
0.238 |
6 |
|
[NAI]A:403 |
41 |
1 |
860 |
f |
A |
x,y,z |
1_555 |
73 |
34 |
15497 |
587.8 |
-10.1 |
0.221 |
13 |
0 |
0 |
0.238 |
Average: |
592.6 |
-10.3 |
0.221 |
14 |
0 |
0 |
0.238 |
3 |
7 |
|
B |
51 |
15 |
15702 |
◊ |
C |
x-1,y,z |
1_455 |
53 |
16 |
15509 |
474.9 |
3.7 |
0.898 |
9 |
6 |
0 |
0.000 |
4 |
8 |
|
A |
36 |
10 |
15497 |
◊ |
D |
x,y,z-1 |
1_554 |
42 |
10 |
15579 |
337.2 |
0.7 |
0.749 |
6 |
4 |
0 |
0.000 |
5 |
9 |
|
C |
29 |
10 |
15509 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
5 |
15579 |
249.7 |
-1.9 |
0.417 |
1 |
1 |
0 |
0.000 |
10 |
|
A |
17 |
6 |
15497 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
15702 |
172.0 |
-0.5 |
0.593 |
0 |
1 |
0 |
0.000 |
Average: |
210.8 |
-1.2 |
0.505 |
1 |
1 |
0 |
0.000 |
6 |
11 |
|
D |
23 |
9 |
15579 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
15702 |
179.8 |
1.8 |
0.835 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
B |
19 |
8 |
15702 |
◊ |
D |
x-1,y,z-1 |
1_454 |
17 |
5 |
15579 |
174.3 |
0.9 |
0.718 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
20 |
6 |
15509 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
7 |
15702 |
161.3 |
0.1 |
0.686 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
18 |
5 |
15497 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
15579 |
154.8 |
-0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
Average: |
158.0 |
-0.1 |
0.661 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[B7F]B:404 |
10 |
1 |
285 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
15702 |
154.0 |
1.8 |
0.124 |
6 |
0 |
0 |
0.014 |
16 |
|
[B7F]D:404 |
10 |
1 |
284 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
15579 |
151.6 |
1.8 |
0.208 |
5 |
0 |
0 |
0.014 |
17 |
|
[B7F]C:404 |
10 |
1 |
285 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
15509 |
148.4 |
1.7 |
0.210 |
6 |
0 |
0 |
0.014 |
18 |
|
[B7F]A:404 |
10 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
15497 |
145.4 |
1.6 |
0.195 |
6 |
0 |
0 |
0.014 |
Average: |
149.8 |
1.7 |
0.184 |
6 |
0 |
0 |
0.014 |
10 |
19 |
|
A |
19 |
6 |
15497 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
6 |
15579 |
148.7 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
17 |
6 |
15509 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
15 |
5 |
15702 |
123.8 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
136.2 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
C |
17 |
6 |
15509 |
◊ |
A |
x,y,z |
1_555 |
16 |
9 |
15497 |
147.0 |
0.8 |
0.737 |
2 |
2 |
0 |
0.000 |
12 |
22 |
|
A |
13 |
4 |
15497 |
◊ |
C |
x-1,y,z-1 |
1_454 |
14 |
5 |
15509 |
123.4 |
0.4 |
0.681 |
1 |
2 |
0 |
0.000 |
13 |
23 |
|
[MRD]C:405 |
6 |
1 |
267 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
15509 |
96.1 |
0.9 |
0.331 |
1 |
0 |
0 |
0.000 |
14 |
24 |
|
[MRD]B:405 |
5 |
1 |
271 |
f |
C |
x-1,y,z |
1_455 |
15 |
4 |
15509 |
93.8 |
0.8 |
0.427 |
1 |
0 |
0 |
0.000 |
15 |
25 |
|
[MRD]B:405 |
5 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
15702 |
90.5 |
1.3 |
0.461 |
1 |
0 |
0 |
0.000 |
16 |
26 |
|
D |
6 |
1 |
15579 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
4 |
15509 |
63.9 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[B7F]D:404 |
7 |
1 |
284 |
f |
[NAI]D:403 |
x,y,z |
1_555 |
11 |
1 |
861 |
60.2 |
0.2 |
0.057 |
1 |
0 |
0 |
0.004 |
28 |
|
[B7F]B:404 |
6 |
1 |
285 |
f |
[NAI]B:403 |
x,y,z |
1_555 |
12 |
1 |
863 |
60.1 |
0.2 |
0.014 |
1 |
0 |
0 |
0.004 |
29 |
|
[B7F]A:404 |
7 |
1 |
280 |
f |
[NAI]A:403 |
x,y,z |
1_555 |
9 |
1 |
860 |
57.8 |
0.1 |
0.047 |
1 |
0 |
0 |
0.004 |
30 |
|
[B7F]C:404 |
7 |
1 |
285 |
f |
[NAI]C:403 |
x,y,z |
1_555 |
10 |
1 |
864 |
56.9 |
0.1 |
0.048 |
1 |
0 |
0 |
0.004 |
Average: |
58.8 |
0.1 |
0.041 |
1 |
0 |
0 |
0.004 |
18 |
31 |
|
C |
5 |
2 |
15509 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15702 |
51.5 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
15509 |
30.7 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.331 |
33 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15497 |
30.5 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.331 |
34 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15702 |
30.3 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.331 |
35 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
15579 |
30.1 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.331 |
Average: |
30.4 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.331 |
20 |
36 |
|
A |
3 |
1 |
15497 |
◊ |
D |
x-1,y,z-1 |
1_454 |
6 |
4 |
15579 |
30.3 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
[NAI]C:403 |
3 |
1 |
864 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15579 |
26.1 |
-0.1 |
0.379 |
0 |
0 |
0 |
0.001 |
38 |
|
[NAI]A:403 |
3 |
1 |
860 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15702 |
25.9 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.001 |
39 |
|
[NAI]D:403 |
2 |
1 |
861 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15509 |
20.3 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.001 |
40 |
|
[NAI]B:403 |
2 |
1 |
863 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15497 |
20.1 |
-0.1 |
0.387 |
0 |
0 |
0 |
0.001 |
Average: |
23.1 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.001 |
22 |
41 |
|
[B7F]D:404 |
3 |
1 |
284 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.120 |
42 |
|
[B7F]B:404 |
2 |
1 |
285 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.120 |
43 |
|
[B7F]C:404 |
2 |
1 |
285 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.120 |
44 |
|
[B7F]A:404 |
3 |
1 |
280 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
22.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.120 |
23 |
45 |
|
[NAI]D:403 |
3 |
1 |
861 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.108 |
46 |
|
[NAI]C:403 |
3 |
1 |
864 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.108 |
47 |
|
[NAI]A:403 |
3 |
1 |
860 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.108 |
48 |
|
[NAI]B:403 |
3 |
1 |
863 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
20.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.108 |
24 |
49 |
|
[B7F]C:404 |
3 |
1 |
285 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
15579 |
14.2 |
0.0 |
0.044 |
0 |
0 |
0 |
0.000 |
50 |
|
[B7F]A:404 |
3 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15702 |
13.7 |
0.0 |
0.038 |
0 |
0 |
0 |
0.000 |
51 |
|
[B7F]D:404 |
1 |
1 |
284 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15509 |
3.3 |
-0.0 |
0.295 |
0 |
0 |
0 |
0.000 |
52 |
|
[B7F]B:404 |
1 |
1 |
285 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15497 |
3.0 |
-0.1 |
0.209 |
0 |
0 |
0 |
0.000 |
Average: |
8.6 |
-0.0 |
0.146 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
[MRD]C:405 |
1 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
15497 |
5.0 |
-0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
|