## |
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 |
309 |
78 |
11031 |
◊ |
A |
x,y,z |
1_555 |
305 |
78 |
11052 |
2977.4 |
-47.2 |
0.045 |
27 |
14 |
0 |
0.689 |
2 |
|
D |
305 |
80 |
11386 |
◊ |
C |
x,y,z |
1_555 |
298 |
76 |
10820 |
2958.5 |
-50.2 |
0.069 |
22 |
10 |
0 |
0.689 |
Average: |
2967.9 |
-48.7 |
0.057 |
25 |
12 |
0 |
0.689 |
2 |
3 |
|
D |
74 |
19 |
11386 |
◊ |
B |
x-1,y,z |
1_455 |
69 |
17 |
11031 |
531.6 |
-4.8 |
0.689 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
35 |
10 |
10820 |
◊ |
A |
x-1,y+1,z |
1_465 |
45 |
15 |
11052 |
383.2 |
-4.8 |
0.411 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
33 |
7 |
11386 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
11052 |
292.2 |
-3.4 |
0.510 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
22 |
8 |
11031 |
◊ |
D |
x,y-1,z+1 |
1_546 |
25 |
7 |
11386 |
230.6 |
-3.0 |
0.438 |
2 |
1 |
0 |
0.000 |
6 |
7 |
|
[PWG]C:305 |
14 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
20 |
5 |
10820 |
144.3 |
2.8 |
0.068 |
1 |
0 |
0 |
0.000 |
8 |
|
[PWG]B:304 |
15 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
11052 |
140.1 |
2.8 |
0.040 |
0 |
0 |
0 |
0.000 |
Average: |
142.2 |
2.8 |
0.054 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[PWG]A:304 |
14 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
11052 |
142.8 |
2.7 |
0.021 |
3 |
0 |
0 |
0.000 |
10 |
|
[PWG]C:304 |
14 |
1 |
365 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
10820 |
141.0 |
2.4 |
0.038 |
3 |
0 |
0 |
0.000 |
11 |
|
[PWG]B:304 |
14 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
11031 |
135.0 |
2.3 |
0.032 |
2 |
0 |
0 |
0.000 |
Average: |
139.6 |
2.5 |
0.031 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[PWG]C:304 |
15 |
1 |
365 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
11386 |
142.4 |
2.8 |
0.034 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[PWG]C:305 |
14 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
11386 |
141.8 |
2.3 |
0.044 |
3 |
0 |
0 |
0.000 |
10 |
14 |
|
[PWG]A:304 |
14 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
11031 |
136.8 |
2.8 |
0.030 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
14 |
9 |
10820 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
2 |
11031 |
122.9 |
-1.1 |
0.280 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
9 |
2 |
11386 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
9 |
11052 |
121.2 |
-0.8 |
0.296 |
1 |
0 |
0 |
0.000 |
Average: |
122.1 |
-0.9 |
0.288 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
13 |
5 |
11386 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11052 |
115.9 |
-2.1 |
0.374 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
B |
13 |
3 |
11031 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
3 |
11052 |
106.0 |
-1.8 |
0.428 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]D:303 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
16 |
11 |
11386 |
105.6 |
3.3 |
0.536 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:305 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
11 |
11052 |
100.6 |
3.1 |
0.525 |
2 |
0 |
0 |
0.000 |
Average: |
103.1 |
3.2 |
0.531 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
11031 |
101.3 |
3.2 |
0.501 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]C:301 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10820 |
100.5 |
3.6 |
0.575 |
3 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11031 |
87.3 |
2.0 |
0.305 |
3 |
0 |
0 |
0.000 |
18 |
24 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
11031 |
57.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.075 |
19 |
25 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11031 |
55.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.248 |
26 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11052 |
52.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.248 |
27 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10820 |
51.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.248 |
28 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
11386 |
49.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.248 |
29 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
11386 |
46.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.248 |
Average: |
51.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.248 |
20 |
30 |
|
B |
7 |
1 |
11031 |
x |
B |
x-1,y,z |
1_455 |
10 |
3 |
11031 |
52.7 |
-0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
10820 |
50.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.171 |
32 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11052 |
48.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.171 |
33 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11031 |
47.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
48.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.171 |
22 |
34 |
|
[EDO]A:305 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11031 |
42.1 |
0.9 |
0.898 |
2 |
0 |
0 |
0.000 |
35 |
|
[EDO]D:303 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10820 |
37.6 |
0.8 |
0.932 |
2 |
0 |
0 |
0.000 |
Average: |
39.9 |
0.8 |
0.915 |
2 |
0 |
0 |
0.001 |
23 |
36 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11052 |
39.1 |
0.7 |
0.896 |
2 |
0 |
0 |
0.001 |
24 |
37 |
|
A |
5 |
2 |
11052 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11031 |
37.7 |
-0.8 |
0.121 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
D |
6 |
2 |
11386 |
x |
D |
x,y-1,z |
1_545 |
7 |
2 |
11386 |
34.0 |
-0.5 |
0.558 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
11052 |
33.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.042 |
27 |
40 |
|
D |
4 |
4 |
11386 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
4 |
10820 |
30.7 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.055 |
29 |
42 |
|
D |
2 |
1 |
11386 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
11031 |
24.5 |
-0.7 |
0.322 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.042 |
31 |
44 |
|
C |
2 |
2 |
10820 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
11031 |
17.5 |
-0.5 |
0.404 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.035 |
33 |
46 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.022 |
34 |
47 |
|
C |
2 |
1 |
10820 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11052 |
8.0 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
A |
2 |
1 |
11052 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11031 |
1.4 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
|