## |
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 |
90 |
26 |
8807 |
◊ |
D |
x,y,z |
1_555 |
71 |
20 |
9360 |
794.8 |
-10.7 |
0.118 |
7 |
4 |
0 |
0.170 |
2 |
|
B |
56 |
17 |
9222 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
9160 |
663.6 |
-11.3 |
0.071 |
3 |
4 |
0 |
0.170 |
Average: |
729.2 |
-11.0 |
0.094 |
5 |
4 |
0 |
0.170 |
2 |
3 |
|
C |
84 |
25 |
9058 |
◊ |
A |
x,y,z |
1_555 |
65 |
21 |
9160 |
737.1 |
-13.8 |
0.051 |
3 |
3 |
0 |
0.174 |
3 |
4 |
|
F |
76 |
23 |
9183 |
◊ |
E |
x,y,z |
1_555 |
58 |
19 |
8807 |
660.0 |
-11.2 |
0.060 |
4 |
4 |
0 |
0.177 |
5 |
|
F |
53 |
16 |
9183 |
◊ |
D |
x,y,z |
1_555 |
67 |
21 |
9360 |
648.9 |
-9.0 |
0.117 |
5 |
4 |
0 |
0.177 |
Average: |
654.4 |
-10.1 |
0.088 |
5 |
4 |
0 |
0.177 |
4 |
6 |
|
C |
47 |
14 |
9058 |
◊ |
B |
x,y,z |
1_555 |
61 |
20 |
9222 |
560.0 |
-10.9 |
0.046 |
1 |
1 |
0 |
0.077 |
5 |
7 |
|
D |
29 |
8 |
9360 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
8 |
9222 |
323.5 |
-1.9 |
0.455 |
6 |
4 |
0 |
0.021 |
6 |
8 |
|
A |
40 |
11 |
9160 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
31 |
7 |
9183 |
276.1 |
-2.1 |
0.543 |
5 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
35 |
11 |
9222 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
31 |
7 |
9360 |
274.3 |
-2.1 |
0.497 |
6 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
28 |
10 |
9058 |
◊ |
F |
x,y,z-1 |
1_554 |
27 |
9 |
9183 |
264.8 |
-0.6 |
0.588 |
1 |
3 |
0 |
0.000 |
9 |
11 |
|
F |
31 |
8 |
9183 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
7 |
9222 |
244.4 |
-5.4 |
0.104 |
0 |
0 |
0 |
0.023 |
10 |
12 |
|
D |
28 |
7 |
9360 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
8 |
9058 |
232.2 |
-5.4 |
0.120 |
0 |
0 |
0 |
0.022 |
11 |
13 |
|
D |
24 |
9 |
9360 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
9160 |
215.4 |
-2.4 |
0.437 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
F |
17 |
6 |
9183 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
7 |
9160 |
199.1 |
-1.7 |
0.420 |
1 |
2 |
0 |
0.010 |
13 |
15 |
|
E |
25 |
6 |
8807 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
11 |
9222 |
197.8 |
-0.8 |
0.626 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
F |
26 |
9 |
9183 |
◊ |
B |
x-1,y,z+1 |
1_456 |
22 |
8 |
9222 |
196.5 |
0.0 |
0.689 |
2 |
2 |
0 |
0.000 |
15 |
17 |
|
E |
14 |
5 |
8807 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
9160 |
167.4 |
-0.6 |
0.409 |
0 |
0 |
0 |
0.002 |
16 |
18 |
|
E |
10 |
3 |
8807 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
6 |
9160 |
128.1 |
-0.2 |
0.642 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[MAN]D:302 |
11 |
1 |
296 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
9360 |
126.9 |
2.4 |
0.357 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[MAN]F:302 |
10 |
1 |
299 |
f |
F |
x,y,z |
1_555 |
13 |
9 |
9183 |
122.9 |
2.1 |
0.372 |
3 |
0 |
0 |
0.000 |
19 |
21 |
|
[MAN]A:302 |
9 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
9160 |
118.5 |
2.1 |
0.341 |
2 |
0 |
0 |
0.000 |
22 |
|
[MAN]B:302 |
9 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
9222 |
115.0 |
2.1 |
0.326 |
3 |
0 |
0 |
0.000 |
Average: |
116.7 |
2.1 |
0.334 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
[GOL]B:306 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9222 |
111.7 |
1.1 |
0.782 |
6 |
0 |
0 |
0.019 |
21 |
24 |
|
[GOL]F:306 |
6 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
9183 |
109.1 |
0.5 |
0.709 |
4 |
0 |
0 |
0.009 |
22 |
25 |
|
[GOL]D:306 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
9360 |
109.0 |
0.6 |
0.650 |
3 |
0 |
0 |
0.017 |
26 |
|
[GOL]A:306 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
9160 |
107.7 |
0.8 |
0.695 |
5 |
0 |
0 |
0.017 |
Average: |
108.4 |
0.7 |
0.672 |
4 |
0 |
0 |
0.017 |
23 |
27 |
|
[GOL]C:305 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
9058 |
105.9 |
1.3 |
0.787 |
5 |
0 |
0 |
0.011 |
24 |
28 |
|
[GOL]C:301 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
9058 |
99.8 |
0.7 |
0.758 |
5 |
0 |
0 |
0.017 |
25 |
29 |
|
[GOL]E:304 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
8807 |
93.9 |
0.7 |
0.688 |
3 |
0 |
0 |
0.008 |
26 |
30 |
|
[MAN]B:301 |
8 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9222 |
92.8 |
3.0 |
0.427 |
3 |
0 |
0 |
0.000 |
27 |
31 |
|
[MAN]D:301 |
6 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
9360 |
92.6 |
3.4 |
0.638 |
2 |
0 |
0 |
0.000 |
28 |
32 |
|
[MAN]F:301 |
6 |
1 |
290 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
9183 |
87.6 |
3.2 |
0.585 |
2 |
0 |
0 |
0.000 |
29 |
33 |
|
[MAN]A:301 |
7 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9160 |
80.9 |
2.6 |
0.489 |
2 |
0 |
0 |
0.000 |
30 |
34 |
|
E |
9 |
3 |
8807 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
9058 |
70.6 |
-1.7 |
0.226 |
0 |
0 |
0 |
0.007 |
31 |
35 |
|
[MAN]D:302 |
7 |
1 |
296 |
cf |
[MAN]D:301 |
x,y,z |
1_555 |
7 |
1 |
290 |
63.7 |
2.9 |
0.223 |
0 |
0 |
0 |
0.000 |
36 |
|
[MAN]F:302 |
7 |
1 |
299 |
cf |
[MAN]F:301 |
x,y,z |
1_555 |
6 |
1 |
290 |
62.1 |
2.8 |
0.257 |
0 |
0 |
0 |
0.000 |
Average: |
62.9 |
2.8 |
0.240 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[MAN]B:302 |
8 |
1 |
300 |
cf |
[MAN]B:301 |
x,y,z |
1_555 |
6 |
1 |
292 |
63.6 |
2.5 |
0.177 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[MAN]A:302 |
7 |
1 |
298 |
cf |
[MAN]A:301 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.3 |
2.6 |
0.201 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[GOL]C:301 |
4 |
1 |
219 |
◊ |
F |
x,y,z-1 |
1_554 |
6 |
2 |
9183 |
52.0 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
D |
5 |
2 |
9360 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
9058 |
49.5 |
-0.6 |
0.484 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[CA]E:301 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
8807 |
46.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.277 |
42 |
|
[CA]C:302 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
9058 |
38.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.277 |
43 |
|
[CA]F:303 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
6 |
9183 |
36.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.277 |
44 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
9160 |
36.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.277 |
45 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
9222 |
35.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.277 |
46 |
|
[CA]D:303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
9360 |
35.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.277 |
Average: |
38.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.277 |
37 |
47 |
|
[CA]E:302 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
8807 |
45.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.238 |
48 |
|
[CA]C:303 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9058 |
31.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.238 |
49 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9222 |
31.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.238 |
50 |
|
[CA]F:304 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
9183 |
30.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.238 |
51 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9160 |
30.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.238 |
52 |
|
[CA]D:304 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9360 |
30.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
33.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.238 |
38 |
53 |
|
[MAN]A:302 |
5 |
1 |
298 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
9183 |
44.4 |
1.1 |
0.436 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
E |
6 |
2 |
8807 |
◊ |
[MAN]F:301 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
290 |
42.4 |
0.2 |
0.308 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9160 |
36.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.186 |
56 |
|
[CA]D:305 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
9360 |
36.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.186 |
57 |
|
[CA]E:303 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
8807 |
35.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.186 |
58 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9058 |
35.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.186 |
59 |
|
[CA]F:305 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
9183 |
35.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.186 |
60 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9222 |
34.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.186 |
Average: |
35.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.186 |
41 |
61 |
|
[MAN]B:302 |
4 |
1 |
300 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
9360 |
34.0 |
0.4 |
0.331 |
0 |
0 |
0 |
0.000 |
42 |
62 |
|
E |
3 |
2 |
8807 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
9222 |
29.4 |
-1.2 |
0.094 |
0 |
0 |
0 |
0.005 |
43 |
63 |
|
B |
5 |
2 |
9222 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
1 |
9183 |
27.3 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
44 |
64 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
[MAN]A:302 |
x,y,z |
1_555 |
3 |
1 |
298 |
27.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.111 |
65 |
|
[CA]D:304 |
1 |
1 |
85 |
f |
[MAN]D:302 |
x,y,z |
1_555 |
3 |
1 |
296 |
26.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.111 |
66 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
[MAN]B:302 |
x,y,z |
1_555 |
4 |
1 |
300 |
26.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.111 |
67 |
|
[CA]F:304 |
1 |
1 |
85 |
f |
[MAN]F:302 |
x,y,z |
1_555 |
3 |
1 |
299 |
26.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
26.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.111 |
45 |
68 |
|
[GOL]D:306 |
4 |
1 |
220 |
f |
[CA]D:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.095 |
69 |
|
[GOL]B:306 |
4 |
1 |
216 |
f |
[CA]B:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.095 |
70 |
|
[GOL]A:306 |
4 |
1 |
220 |
f |
[CA]A:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.095 |
71 |
|
[GOL]E:304 |
4 |
1 |
217 |
f |
[CA]E:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
25.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.095 |
46 |
72 |
|
[GOL]C:301 |
4 |
1 |
219 |
f |
[CA]C:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.084 |
73 |
|
[GOL]F:306 |
4 |
1 |
216 |
f |
[CA]F:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.084 |
74 |
|
[GOL]C:305 |
3 |
1 |
218 |
f |
[CA]C:304 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.084 |
75 |
|
[GOL]F:306 |
1 |
1 |
216 |
f |
[CA]F:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
20.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.084 |
47 |
76 |
|
A |
3 |
2 |
9160 |
◊ |
[MAN]F:302 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
299 |
24.5 |
0.9 |
0.511 |
0 |
0 |
0 |
0.000 |
48 |
77 |
|
B |
2 |
2 |
9222 |
◊ |
[MAN]D:302 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
296 |
22.7 |
0.8 |
0.483 |
0 |
0 |
0 |
0.000 |
49 |
78 |
|
D |
3 |
1 |
9360 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
9160 |
16.8 |
-0.5 |
0.206 |
0 |
0 |
0 |
0.002 |
50 |
79 |
|
[MAN]B:301 |
2 |
1 |
292 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
9058 |
14.8 |
0.0 |
0.352 |
0 |
0 |
0 |
0.000 |
51 |
80 |
|
[GOL]B:306 |
1 |
1 |
216 |
f |
[CA]B:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
52 |
81 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
[CA]C:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.029 |
53 |
82 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.030 |
54 |
83 |
|
[CA]D:305 |
1 |
1 |
85 |
f |
[CA]D:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
55 |
84 |
|
[CA]F:305 |
1 |
1 |
85 |
f |
[CA]F:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
56 |
85 |
|
[GOL]D:306 |
1 |
1 |
220 |
f |
[CA]D:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
86 |
|
[GOL]A:306 |
1 |
1 |
220 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
7.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
57 |
87 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
[CA]B:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.026 |
58 |
88 |
|
A |
1 |
1 |
9160 |
◊ |
[GOL]F:306 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
216 |
4.8 |
-0.0 |
0.459 |
0 |
0 |
0 |
0.000 |
59 |
89 |
|
[CA]E:303 |
1 |
1 |
85 |
f |
[CA]E:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
|