## |
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 |
|
C |
189 |
49 |
22703 |
◊ |
B |
x,y,z |
1_555 |
210 |
63 |
22609 |
1929.2 |
-17.6 |
0.161 |
24 |
13 |
0 |
1.000 |
2 |
|
F |
187 |
49 |
22656 |
◊ |
E |
x,y,z |
1_555 |
210 |
58 |
22885 |
1910.7 |
-19.9 |
0.169 |
19 |
12 |
0 |
1.000 |
3 |
|
B |
183 |
46 |
22609 |
◊ |
A |
x,y,z |
1_555 |
206 |
62 |
22635 |
1897.7 |
-18.3 |
0.172 |
22 |
13 |
0 |
1.000 |
4 |
|
E |
183 |
48 |
22885 |
◊ |
D |
x,y,z |
1_555 |
205 |
59 |
22963 |
1887.7 |
-17.1 |
0.235 |
20 |
12 |
0 |
1.000 |
5 |
|
C |
212 |
59 |
22703 |
◊ |
A |
x,y,z |
1_555 |
182 |
46 |
22635 |
1884.3 |
-19.9 |
0.121 |
18 |
13 |
0 |
1.000 |
6 |
|
F |
202 |
58 |
22656 |
◊ |
D |
x,y,z |
1_555 |
178 |
46 |
22963 |
1854.5 |
-20.7 |
0.122 |
22 |
12 |
0 |
1.000 |
Average: |
1894.0 |
-18.9 |
0.163 |
21 |
13 |
0 |
1.000 |
2 |
7 |
|
D |
59 |
19 |
22963 |
◊ |
C |
x,y,z-1 |
1_554 |
60 |
19 |
22703 |
524.2 |
0.1 |
0.801 |
4 |
2 |
0 |
0.000 |
8 |
|
F |
61 |
20 |
22656 |
◊ |
B |
x,y,z |
1_555 |
57 |
20 |
22609 |
498.1 |
-0.1 |
0.805 |
3 |
2 |
0 |
0.000 |
Average: |
511.2 |
-0.0 |
0.803 |
4 |
2 |
0 |
0.000 |
3 |
9 |
|
E |
30 |
11 |
22885 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
10 |
22963 |
240.5 |
0.1 |
0.764 |
3 |
0 |
0 |
0.000 |
4 |
10 |
|
F |
21 |
8 |
22656 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
6 |
22635 |
172.9 |
-1.7 |
0.450 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
[PEG]E:507 |
7 |
1 |
258 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
22885 |
132.5 |
2.3 |
0.314 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
A |
11 |
3 |
22635 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
6 |
22609 |
124.8 |
-0.7 |
0.544 |
2 |
0 |
0 |
0.000 |
13 |
|
D |
10 |
3 |
22963 |
◊ |
E |
-x,y-1/2,-z-1 |
2_544 |
9 |
3 |
22885 |
72.1 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
Average: |
98.5 |
-0.4 |
0.612 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
[EDO]E:508 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
22885 |
121.7 |
3.5 |
0.648 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
[NAG]C:504 |
11 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
14 |
5 |
22703 |
115.8 |
2.5 |
0.350 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
15 |
4 |
22703 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
11 |
4 |
22885 |
112.4 |
-0.9 |
0.479 |
0 |
1 |
0 |
0.000 |
10 |
17 |
|
[NAG]A:503 |
7 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
16 |
8 |
22635 |
111.8 |
3.6 |
0.622 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[EDO]E:506 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
22885 |
109.8 |
3.7 |
0.562 |
3 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]D:507 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
22963 |
109.5 |
2.0 |
0.379 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]E:505 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
14 |
9 |
22885 |
106.1 |
3.5 |
0.477 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
E |
13 |
5 |
22885 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
11 |
4 |
22703 |
104.7 |
0.2 |
0.684 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]D:504 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
22963 |
99.7 |
3.3 |
0.461 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]C:509 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
22703 |
99.1 |
3.1 |
0.432 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]C:508 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
22703 |
99.0 |
3.0 |
0.484 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]C:506 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
22703 |
98.3 |
2.5 |
0.417 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
E |
12 |
2 |
22885 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
9 |
4 |
22963 |
93.7 |
0.1 |
0.700 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[NAG]C:502 |
7 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
22703 |
92.3 |
3.2 |
0.596 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]C:510 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
22703 |
90.3 |
3.0 |
0.314 |
4 |
0 |
0 |
0.000 |
22 |
29 |
|
[NAG]A:502 |
7 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
22635 |
88.4 |
3.0 |
0.564 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[EDO]E:509 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
22885 |
85.7 |
1.2 |
0.233 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[NAG]E:504 |
7 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
8 |
3 |
22885 |
84.2 |
2.9 |
0.587 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]C:505 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
22703 |
83.1 |
2.7 |
0.948 |
2 |
0 |
0 |
0.000 |
26 |
33 |
|
[NAG]A:501 |
8 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
22635 |
82.3 |
2.4 |
0.449 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]C:512 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
22703 |
81.4 |
1.8 |
0.270 |
2 |
0 |
0 |
0.000 |
28 |
35 |
|
[EDO]C:513 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
22703 |
81.1 |
2.0 |
0.259 |
2 |
0 |
0 |
0.000 |
29 |
36 |
|
[EDO]D:506 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
22963 |
79.9 |
2.0 |
0.260 |
1 |
0 |
0 |
0.000 |
30 |
37 |
|
E |
9 |
3 |
22885 |
◊ |
A |
x-1,y,z-1 |
1_454 |
10 |
2 |
22635 |
79.3 |
-0.3 |
0.600 |
1 |
0 |
0 |
0.000 |
31 |
38 |
|
[EDO]F:504 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
22656 |
79.2 |
1.7 |
0.830 |
3 |
0 |
0 |
0.000 |
32 |
39 |
|
[NAG]B:502 |
8 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
6 |
2 |
22609 |
78.6 |
2.1 |
0.403 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]D:502 |
8 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
22963 |
74.5 |
2.0 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
76.6 |
2.1 |
0.407 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[EDO]D:505 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
22963 |
78.5 |
1.7 |
0.824 |
3 |
0 |
0 |
0.000 |
34 |
42 |
|
[NAG]F:501 |
5 |
1 |
354 |
cf |
F |
x,y,z |
1_555 |
7 |
3 |
22656 |
78.3 |
2.6 |
0.632 |
0 |
0 |
0 |
0.000 |
43 |
|
[NAG]D:501 |
7 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
9 |
3 |
22963 |
77.0 |
2.8 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
77.7 |
2.7 |
0.563 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[NAG]E:503 |
7 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
6 |
2 |
22885 |
78.1 |
2.2 |
0.448 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[EDO]C:507 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
22703 |
75.7 |
1.7 |
0.816 |
4 |
0 |
0 |
0.003 |
37 |
46 |
|
[NAG]B:503 |
9 |
1 |
361 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
364 |
75.2 |
2.1 |
0.113 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[EDO]A:506 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
22635 |
74.8 |
2.3 |
0.268 |
2 |
0 |
0 |
0.000 |
39 |
48 |
|
[NAG]F:502 |
7 |
1 |
356 |
cf |
F |
x,y,z |
1_555 |
5 |
3 |
22656 |
74.5 |
2.0 |
0.418 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
22635 |
74.0 |
1.6 |
0.810 |
2 |
0 |
0 |
0.000 |
41 |
50 |
|
[NAG]A:504 |
8 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
22635 |
73.1 |
2.5 |
0.444 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[NAG]B:505 |
9 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
22609 |
72.4 |
2.4 |
0.361 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[NAG]B:504 |
7 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
22609 |
71.8 |
2.3 |
0.453 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
F |
8 |
3 |
22656 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
22635 |
69.9 |
-0.7 |
0.451 |
1 |
0 |
0 |
0.000 |
45 |
54 |
|
[EDO]C:511 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
22703 |
69.5 |
2.3 |
0.938 |
2 |
0 |
0 |
0.000 |
46 |
55 |
|
[NAG]D:503 |
10 |
1 |
357 |
cf |
[NAG]D:502 |
x,y,z |
1_555 |
6 |
1 |
365 |
69.3 |
1.5 |
0.088 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
E |
11 |
6 |
22885 |
◊ |
C |
x-1,y,z-1 |
1_454 |
11 |
4 |
22703 |
66.9 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
[NAG]E:502 |
9 |
1 |
354 |
cf |
[NAG]E:501 |
x,y,z |
1_555 |
8 |
1 |
360 |
66.6 |
1.0 |
0.055 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
[EDO]C:511 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
22609 |
63.8 |
1.9 |
0.273 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[NAG]B:501 |
7 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
22609 |
63.3 |
1.6 |
0.308 |
1 |
0 |
0 |
0.000 |
51 |
60 |
|
[NAG]E:501 |
8 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
6 |
2 |
22885 |
62.3 |
2.0 |
0.374 |
0 |
0 |
0 |
0.000 |
52 |
61 |
|
[EDO]A:507 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
22635 |
62.2 |
0.9 |
0.213 |
0 |
0 |
0 |
0.000 |
53 |
62 |
|
[NAG]C:501 |
7 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
22703 |
59.9 |
1.5 |
0.317 |
1 |
0 |
0 |
0.000 |
54 |
63 |
|
[EDO]F:503 |
3 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
22656 |
57.9 |
2.1 |
0.319 |
2 |
0 |
0 |
0.000 |
55 |
64 |
|
[NAG]C:503 |
7 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
22703 |
57.3 |
1.7 |
0.370 |
0 |
0 |
0 |
0.000 |
56 |
65 |
|
[EDO]C:505 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
22609 |
54.0 |
1.9 |
0.307 |
1 |
0 |
0 |
0.000 |
57 |
66 |
|
[EDO]A:507 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
22703 |
53.0 |
0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
58 |
67 |
|
[EDO]A:507 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
22609 |
51.7 |
1.0 |
0.204 |
0 |
0 |
0 |
0.000 |
59 |
68 |
|
[EDO]F:503 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
22963 |
50.5 |
1.4 |
0.784 |
0 |
0 |
0 |
0.000 |
60 |
69 |
|
C |
4 |
1 |
22703 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
22635 |
47.5 |
0.6 |
0.822 |
1 |
2 |
0 |
0.000 |
61 |
70 |
|
D |
7 |
3 |
22963 |
f |
[EDO]C:512 |
x,y,z-1 |
1_554 |
3 |
1 |
186 |
45.4 |
0.9 |
0.712 |
1 |
0 |
0 |
0.000 |
62 |
71 |
|
B |
3 |
2 |
22609 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
22635 |
37.1 |
-0.3 |
0.583 |
0 |
0 |
0 |
0.000 |
63 |
72 |
|
C |
8 |
3 |
22703 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
2 |
2 |
22656 |
35.2 |
0.4 |
0.775 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
A |
5 |
4 |
22635 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
22656 |
34.1 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
65 |
74 |
|
[EDO]C:509 |
2 |
1 |
184 |
f |
[EDO]C:507 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.2 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
75 |
|
[EDO]C:508 |
3 |
1 |
185 |
◊ |
[EDO]C:507 |
x,y,z |
1_555 |
4 |
1 |
183 |
29.1 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
76 |
|
[EDO]D:505 |
3 |
1 |
184 |
f |
[EDO]D:504 |
x,y,z |
1_555 |
2 |
1 |
183 |
25.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
A |
4 |
2 |
22635 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
22963 |
24.9 |
0.4 |
0.829 |
1 |
0 |
0 |
0.000 |
69 |
78 |
|
B |
5 |
3 |
22609 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
22609 |
21.0 |
0.6 |
0.832 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[EDO]D:506 |
2 |
1 |
183 |
f |
[EDO]C:512 |
x,y,z-1 |
1_554 |
2 |
1 |
186 |
20.0 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[EDO]C:511 |
3 |
1 |
186 |
f |
[EDO]C:505 |
x,y,z |
1_555 |
2 |
1 |
187 |
16.9 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
[EDO]C:510 |
2 |
1 |
184 |
f |
[EDO]C:506 |
x,y,z |
1_555 |
3 |
1 |
185 |
14.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
82 |
|
B |
1 |
1 |
22609 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
22635 |
13.8 |
-0.4 |
0.207 |
0 |
0 |
0 |
0.000 |
74 |
83 |
|
F |
3 |
2 |
22656 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
22609 |
13.2 |
0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
75 |
84 |
|
[EDO]C:510 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
22609 |
12.8 |
0.4 |
0.926 |
0 |
0 |
0 |
0.000 |
76 |
85 |
|
[EDO]C:511 |
3 |
1 |
186 |
f |
[EDO]C:510 |
x,y,z |
1_555 |
1 |
1 |
184 |
12.1 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
77 |
86 |
|
C |
1 |
1 |
22703 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
22963 |
11.9 |
0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
78 |
87 |
|
[EDO]E:508 |
1 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
22656 |
7.2 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
79 |
88 |
|
[NAG]C:503 |
3 |
1 |
362 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
22635 |
6.8 |
0.4 |
0.438 |
0 |
0 |
0 |
0.000 |
80 |
89 |
|
[EDO]C:508 |
1 |
1 |
185 |
f |
A |
x-1,y,z |
1_455 |
2 |
1 |
22635 |
3.4 |
0.1 |
0.818 |
0 |
0 |
0 |
0.000 |
81 |
90 |
|
[EDO]C:513 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
22635 |
1.1 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
|