## |
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 |
116 |
36 |
12204 |
◊ |
A |
x,y,z |
1_555 |
114 |
35 |
11910 |
1094.8 |
-2.2 |
0.721 |
19 |
8 |
0 |
0.012 |
2 |
|
D |
101 |
33 |
12104 |
◊ |
C |
x,y,z |
1_555 |
109 |
35 |
11977 |
1028.0 |
-0.6 |
0.787 |
17 |
6 |
0 |
0.012 |
Average: |
1061.4 |
-1.4 |
0.754 |
18 |
7 |
0 |
0.012 |
2 |
3 |
|
D |
60 |
14 |
12104 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
59 |
15 |
12204 |
563.8 |
0.5 |
0.687 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
41 |
13 |
12204 |
◊ |
A |
x-1,y,z |
1_455 |
40 |
12 |
11910 |
389.5 |
2.2 |
0.868 |
6 |
0 |
0 |
0.000 |
5 |
|
D |
43 |
13 |
12104 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
12 |
11977 |
350.4 |
3.9 |
0.931 |
5 |
3 |
0 |
0.000 |
Average: |
370.0 |
3.0 |
0.900 |
6 |
2 |
0 |
0.000 |
4 |
6 |
|
D |
35 |
15 |
12104 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
44 |
16 |
11977 |
379.3 |
0.5 |
0.700 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
C |
38 |
13 |
11977 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
12204 |
370.6 |
-1.3 |
0.513 |
5 |
0 |
0 |
0.000 |
6 |
8 |
|
[MKQ]A:302 |
22 |
1 |
514 |
f |
A |
x,y,z |
1_555 |
45 |
21 |
11910 |
337.9 |
-2.6 |
0.400 |
3 |
0 |
0 |
0.011 |
9 |
|
[MKQ]B:302 |
22 |
1 |
518 |
f |
B |
x,y,z |
1_555 |
49 |
21 |
12204 |
337.5 |
-3.5 |
0.218 |
3 |
0 |
0 |
0.011 |
Average: |
337.7 |
-3.0 |
0.309 |
3 |
0 |
0 |
0.011 |
7 |
10 |
|
[MKQ]C:302 |
22 |
1 |
516 |
f |
C |
x,y,z |
1_555 |
46 |
21 |
11977 |
337.5 |
-2.0 |
0.445 |
3 |
0 |
0 |
0.008 |
8 |
11 |
|
C |
30 |
8 |
11977 |
◊ |
B |
x,y-1,z |
1_545 |
37 |
12 |
12204 |
337.1 |
-4.7 |
0.139 |
3 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
36 |
9 |
11977 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
10 |
11910 |
332.4 |
-2.4 |
0.518 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
31 |
10 |
11977 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
27 |
8 |
12204 |
271.5 |
-1.8 |
0.454 |
3 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
21 |
5 |
12204 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
21 |
11 |
11910 |
197.1 |
-1.9 |
0.392 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
16 |
7 |
11977 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
17 |
5 |
11977 |
193.0 |
-2.3 |
0.286 |
0 |
1 |
0 |
0.000 |
13 |
16 |
|
D |
21 |
8 |
12104 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
27 |
9 |
11910 |
187.7 |
-1.3 |
0.496 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
A |
20 |
9 |
11910 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
21 |
9 |
12204 |
161.2 |
-1.1 |
0.491 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
16 |
5 |
11977 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
16 |
5 |
12204 |
158.7 |
-2.0 |
0.288 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
12204 |
114.4 |
3.2 |
0.478 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:304 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
12204 |
107.0 |
4.3 |
0.532 |
4 |
0 |
0 |
0.000 |
18 |
21 |
|
D |
11 |
4 |
12104 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12204 |
98.2 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
C |
14 |
7 |
11977 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
4 |
11910 |
75.8 |
-0.5 |
0.549 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
D |
7 |
4 |
12104 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
5 |
12204 |
74.6 |
-1.7 |
0.104 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
C |
12 |
4 |
11977 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
12104 |
73.9 |
-0.8 |
0.377 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
D |
9 |
4 |
12104 |
◊ |
A |
x-1,y-1,z |
1_445 |
8 |
3 |
11910 |
62.8 |
0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
B |
8 |
3 |
12204 |
x |
B |
-x,y-1/2,-z |
2_545 |
9 |
3 |
12204 |
60.2 |
0.0 |
0.534 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
12104 |
50.2 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.100 |
28 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
11910 |
35.3 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
12204 |
35.2 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.100 |
30 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
11977 |
35.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
39.0 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.100 |
25 |
31 |
|
D |
5 |
3 |
12104 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
11910 |
39.1 |
-0.4 |
0.466 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[MKQ]B:302 |
6 |
1 |
518 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.032 |
33 |
|
[MKQ]A:302 |
6 |
1 |
514 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
31.5 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.032 |
27 |
34 |
|
[MKQ]C:302 |
6 |
1 |
516 |
cf |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.033 |
28 |
35 |
|
D |
2 |
2 |
12104 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
11910 |
24.8 |
-0.6 |
0.255 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
D |
4 |
2 |
12104 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
12204 |
21.9 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
B |
1 |
1 |
12204 |
f |
[EDO]B:303 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
185 |
4.5 |
0.1 |
0.887 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
C |
1 |
1 |
11977 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11910 |
3.2 |
0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
|