## |
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 |
|
E |
79 |
9 |
4171 |
◊ |
A |
x,y,z |
1_555 |
75 |
27 |
12306 |
656.4 |
-9.8 |
0.300 |
5 |
0 |
0 |
0.126 |
2 |
|
H |
76 |
9 |
4163 |
◊ |
B |
x,y,z |
1_555 |
70 |
20 |
12866 |
587.5 |
-4.0 |
0.428 |
4 |
0 |
0 |
0.126 |
Average: |
621.9 |
-6.9 |
0.364 |
5 |
0 |
0 |
0.126 |
2 |
3 |
|
G |
40 |
4 |
1821 |
◊ |
B |
x,y,z |
1_555 |
56 |
17 |
12866 |
398.3 |
-4.6 |
0.513 |
5 |
0 |
0 |
0.056 |
4 |
|
D |
35 |
3 |
1813 |
◊ |
A |
x,y,z |
1_555 |
51 |
16 |
12306 |
376.5 |
-4.9 |
0.543 |
5 |
0 |
0 |
0.056 |
Average: |
387.4 |
-4.8 |
0.528 |
5 |
0 |
0 |
0.056 |
3 |
5 |
|
H |
38 |
8 |
4163 |
◊ |
F |
x,y,z |
1_555 |
36 |
9 |
2181 |
397.5 |
-5.8 |
0.550 |
25 |
0 |
0 |
1.000 |
6 |
|
E |
35 |
8 |
4171 |
◊ |
C |
x,y,z |
1_555 |
40 |
9 |
2180 |
388.3 |
-5.3 |
0.560 |
23 |
0 |
0 |
1.000 |
Average: |
392.9 |
-5.5 |
0.555 |
24 |
0 |
0 |
1.000 |
4 |
7 |
|
B |
43 |
17 |
12866 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
12306 |
386.6 |
-1.0 |
0.709 |
5 |
0 |
0 |
0.000 |
5 |
8 |
|
H |
36 |
8 |
4163 |
◊ |
G |
x,y,z |
1_555 |
35 |
7 |
1821 |
342.9 |
-3.0 |
0.586 |
18 |
0 |
0 |
0.372 |
6 |
9 |
|
H |
38 |
7 |
4163 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
16 |
12866 |
339.1 |
-4.1 |
0.574 |
6 |
0 |
0 |
0.005 |
7 |
10 |
|
E |
35 |
8 |
4171 |
◊ |
D |
x,y,z |
1_555 |
32 |
7 |
1813 |
330.3 |
-3.7 |
0.573 |
20 |
0 |
0 |
1.000 |
8 |
11 |
|
B |
26 |
6 |
12866 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
38 |
15 |
12306 |
294.3 |
1.6 |
0.879 |
8 |
2 |
0 |
0.000 |
9 |
12 |
|
B |
28 |
10 |
12866 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
37 |
12 |
12866 |
272.2 |
-4.4 |
0.217 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
A |
31 |
11 |
12306 |
x |
A |
-x,y-1/2,-z |
2_545 |
27 |
9 |
12306 |
232.0 |
-3.8 |
0.342 |
0 |
1 |
0 |
0.000 |
11 |
14 |
|
C |
27 |
2 |
2180 |
◊ |
A |
x,y,z |
1_555 |
35 |
8 |
12306 |
224.6 |
4.3 |
0.934 |
0 |
0 |
0 |
0.000 |
15 |
|
F |
23 |
2 |
2181 |
◊ |
B |
x,y,z |
1_555 |
31 |
7 |
12866 |
221.1 |
2.9 |
0.843 |
2 |
0 |
0 |
0.000 |
Average: |
222.9 |
3.6 |
0.888 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[3DR]D:10 |
12 |
1 |
331 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
12306 |
167.1 |
-3.0 |
0.444 |
2 |
0 |
0 |
0.035 |
17 |
|
[3DR]G:10 |
12 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
12866 |
161.2 |
-3.1 |
0.417 |
3 |
0 |
0 |
0.035 |
Average: |
164.1 |
-3.0 |
0.430 |
3 |
0 |
0 |
0.035 |
13 |
18 |
|
B |
18 |
6 |
12866 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
18 |
6 |
12306 |
152.9 |
1.0 |
0.828 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
G |
17 |
3 |
1821 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
6 |
12866 |
151.7 |
1.0 |
0.749 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
16 |
3 |
2180 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
5 |
12306 |
113.6 |
-3.3 |
0.433 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
F |
13 |
2 |
2181 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
7 |
12866 |
113.5 |
-2.5 |
0.464 |
5 |
0 |
0 |
0.004 |
17 |
22 |
|
G |
13 |
1 |
1821 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
1 |
2180 |
109.6 |
1.8 |
0.747 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
F |
13 |
1 |
2181 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
13 |
1 |
1813 |
105.0 |
1.5 |
0.740 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
H |
13 |
1 |
4163 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
15 |
1 |
4171 |
101.2 |
2.5 |
0.823 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
H |
15 |
1 |
4163 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
13 |
1 |
4171 |
100.0 |
2.6 |
0.829 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
E |
13 |
3 |
4171 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
6 |
12306 |
94.0 |
-2.5 |
0.454 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
H |
12 |
3 |
4163 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
2 |
2180 |
94.0 |
-1.5 |
0.526 |
3 |
0 |
0 |
0.000 |
23 |
28 |
|
F |
11 |
2 |
2181 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
11 |
3 |
4171 |
79.9 |
-0.7 |
0.578 |
3 |
0 |
0 |
0.000 |
24 |
29 |
|
H |
9 |
2 |
4163 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
10 |
4 |
12306 |
77.9 |
-3.0 |
0.331 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
A |
8 |
5 |
12306 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
5 |
1 |
4171 |
63.5 |
-1.0 |
0.501 |
3 |
0 |
0 |
0.000 |
26 |
31 |
|
F |
6 |
2 |
2181 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
12306 |
51.5 |
0.1 |
0.678 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
D |
8 |
1 |
1813 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
12306 |
47.7 |
0.2 |
0.672 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[3DR]D:10 |
5 |
1 |
331 |
cf |
D |
x,y,z |
1_555 |
6 |
1 |
1813 |
45.9 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
34 |
|
[3DR]G:10 |
5 |
1 |
331 |
cf |
G |
x,y,z |
1_555 |
6 |
1 |
1821 |
45.9 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
45.9 |
0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[3DR]D:10 |
8 |
1 |
331 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
2180 |
42.4 |
-0.3 |
0.595 |
0 |
0 |
0 |
0.011 |
30 |
36 |
|
[3DR]G:10 |
7 |
1 |
331 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
2181 |
39.1 |
-0.5 |
0.559 |
0 |
0 |
0 |
0.018 |
31 |
37 |
|
B |
5 |
1 |
12866 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
4 |
1 |
4171 |
37.7 |
1.1 |
0.779 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
D |
3 |
1 |
1813 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
2180 |
36.0 |
-1.2 |
0.307 |
0 |
0 |
0 |
0.042 |
33 |
39 |
|
B |
6 |
3 |
12866 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
2180 |
34.9 |
-0.6 |
0.369 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12866 |
34.6 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.245 |
41 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
12306 |
33.8 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.245 |
Average: |
34.2 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.245 |
35 |
42 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12866 |
31.6 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.240 |
43 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
12306 |
31.5 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
31.6 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.240 |
36 |
44 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
12866 |
31.3 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.225 |
45 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
12306 |
30.2 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.225 |
Average: |
30.7 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.225 |
37 |
46 |
|
G |
3 |
1 |
1821 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
2181 |
29.8 |
-1.4 |
0.322 |
0 |
0 |
0 |
0.047 |
38 |
47 |
|
[3DR]G:10 |
3 |
1 |
331 |
◊ |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.092 |
48 |
|
[3DR]D:10 |
4 |
1 |
331 |
◊ |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
23.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.092 |
39 |
49 |
|
[3DR]G:10 |
4 |
1 |
331 |
◊ |
[ZN]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.087 |
50 |
|
[3DR]D:10 |
4 |
1 |
331 |
◊ |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
22.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.087 |
40 |
51 |
|
[3DR]G:10 |
4 |
1 |
331 |
◊ |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.077 |
52 |
|
[3DR]D:10 |
4 |
1 |
331 |
◊ |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
21.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.077 |
41 |
53 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2180 |
14.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.044 |
54 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2181 |
12.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
13.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.044 |
42 |
55 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.109 |
43 |
56 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.076 |
44 |
57 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.053 |
45 |
58 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.038 |
46 |
59 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
47 |
60 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|