## |
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 |
151 |
44 |
14240 |
◊ |
A |
x,y,z |
1_555 |
151 |
40 |
14641 |
1484.1 |
-19.6 |
0.120 |
18 |
6 |
0 |
0.239 |
2 |
|
D |
148 |
42 |
13027 |
◊ |
C |
x,y,z |
1_555 |
147 |
40 |
14432 |
1460.0 |
-18.3 |
0.405 |
19 |
8 |
0 |
0.239 |
Average: |
1472.1 |
-18.9 |
0.263 |
19 |
7 |
0 |
0.239 |
2 |
3 |
|
D |
65 |
23 |
13027 |
◊ |
A |
x,y,z |
1_555 |
67 |
21 |
14641 |
628.0 |
3.9 |
0.986 |
14 |
3 |
0 |
0.020 |
4 |
|
C |
67 |
21 |
14432 |
◊ |
B |
x,y,z |
1_555 |
64 |
22 |
14240 |
596.9 |
4.3 |
0.974 |
16 |
2 |
0 |
0.020 |
Average: |
612.5 |
4.1 |
0.980 |
15 |
3 |
0 |
0.020 |
3 |
5 |
|
[NAD]B:1000 |
42 |
1 |
874 |
f |
B |
x,y,z |
1_555 |
83 |
34 |
14240 |
621.8 |
-9.7 |
0.432 |
13 |
0 |
0 |
0.098 |
4 |
6 |
|
[NAD]C:1000 |
40 |
1 |
880 |
f |
C |
x,y,z |
1_555 |
67 |
29 |
14432 |
506.9 |
-6.6 |
0.517 |
8 |
0 |
0 |
0.157 |
7 |
|
[NAD]D:1000 |
37 |
1 |
880 |
f |
D |
x,y,z |
1_555 |
59 |
27 |
13027 |
469.9 |
-5.2 |
0.663 |
7 |
0 |
0 |
0.157 |
8 |
|
[NAD]A:1000 |
32 |
1 |
744 |
f |
A |
x,y,z |
1_555 |
54 |
25 |
14641 |
420.1 |
-5.4 |
0.480 |
7 |
0 |
0 |
0.157 |
Average: |
465.6 |
-5.7 |
0.554 |
7 |
0 |
0 |
0.157 |
5 |
9 |
|
C |
53 |
17 |
14432 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
14641 |
475.8 |
-3.5 |
0.627 |
4 |
0 |
0 |
0.038 |
10 |
|
D |
51 |
16 |
13027 |
◊ |
B |
x,y,z |
1_555 |
47 |
15 |
14240 |
420.7 |
-5.4 |
0.435 |
1 |
0 |
0 |
0.038 |
Average: |
448.2 |
-4.5 |
0.531 |
3 |
0 |
0 |
0.038 |
6 |
11 |
|
B |
47 |
15 |
14240 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
48 |
20 |
14240 |
392.1 |
-2.4 |
0.586 |
4 |
4 |
0 |
0.000 |
7 |
12 |
|
B |
27 |
10 |
14240 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
22 |
8 |
14432 |
212.4 |
-0.9 |
0.647 |
1 |
2 |
0 |
0.000 |
8 |
13 |
|
A |
21 |
9 |
14641 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
9 |
14432 |
160.6 |
-1.9 |
0.479 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
D |
18 |
7 |
13027 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
16 |
6 |
14240 |
144.9 |
2.1 |
0.879 |
4 |
4 |
0 |
0.000 |
10 |
15 |
|
A |
13 |
6 |
14641 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
14432 |
116.8 |
1.4 |
0.881 |
2 |
2 |
0 |
0.000 |
11 |
16 |
|
[EDO]C:1338 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
14432 |
105.8 |
4.1 |
0.531 |
3 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]B:1337 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
14240 |
103.7 |
4.1 |
0.718 |
5 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]A:1337 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14641 |
100.6 |
3.3 |
0.524 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]B:1338 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
14240 |
98.9 |
3.4 |
0.519 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]C:1337 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
5 |
14432 |
96.2 |
2.3 |
0.478 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]B:1339 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
14240 |
94.5 |
2.0 |
0.408 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
A |
7 |
3 |
14641 |
x |
A |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
4 |
14641 |
83.6 |
-0.4 |
0.594 |
3 |
0 |
0 |
0.000 |
18 |
23 |
|
B |
10 |
4 |
14240 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
12 |
5 |
14432 |
79.3 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]B:1339 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14641 |
64.1 |
1.0 |
0.602 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
D |
7 |
4 |
13027 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
14432 |
56.7 |
-0.7 |
0.474 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
14641 |
53.6 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.622 |
27 |
|
[ZN]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
14432 |
52.5 |
-36.9 |
0.000 |
0 |
0 |
0 |
0.622 |
28 |
|
[ZN]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
13027 |
49.5 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.622 |
29 |
|
[ZN]B:499 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
14240 |
36.3 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.622 |
30 |
|
[ZN]B:500 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
14240 |
35.3 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.622 |
Average: |
45.4 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.622 |
22 |
31 |
|
A |
6 |
3 |
14641 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
13027 |
39.6 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]B:1338 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14641 |
23.9 |
1.5 |
0.994 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[NAD]B:1000 |
3 |
1 |
874 |
f |
[ZN]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.048 |
25 |
34 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
[ZN]B:499 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.2 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.103 |
26 |
35 |
|
D |
3 |
2 |
13027 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
14432 |
16.1 |
-0.5 |
0.270 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[NAD]B:1000 |
1 |
1 |
874 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14641 |
14.4 |
-0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAD]D:1000 |
1 |
1 |
880 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14432 |
14.3 |
-0.1 |
0.352 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAD]C:1000 |
1 |
1 |
880 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13027 |
10.0 |
-0.0 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
12.9 |
-0.0 |
0.360 |
0 |
0 |
0 |
0.001 |
28 |
39 |
|
[NAD]B:1000 |
1 |
1 |
874 |
f |
[ZN]B:499 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
40 |
|
[NAD]D:1000 |
1 |
1 |
880 |
f |
[ZN]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
4.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
29 |
41 |
|
[ZN]B:600 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
14432 |
2.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.008 |
|