| ## |
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 |
86 |
26 |
23349 |
x |
B |
-y+3,x-y+3,z |
2_885 |
86 |
29 |
23349 |
786.5 |
-0.8 |
0.622 |
8 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
61 |
19 |
23349 |
◊ |
A |
-x+y-1/3,-x+10/3,z+1/3 |
6_485 |
64 |
21 |
22539 |
597.9 |
0.8 |
0.721 |
5 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
63 |
21 |
23349 |
◊ |
A |
-y+11/3,x-y+10/3,z+1/3 |
5_885 |
50 |
13 |
22539 |
538.3 |
-2.3 |
0.375 |
6 |
3 |
0 |
0.000 |
| 4 |
4 |
|
B |
37 |
11 |
23349 |
◊ |
A |
-y+11/3,x-y+10/3,z-2/3 |
5_884 |
38 |
12 |
22539 |
293.6 |
-3.0 |
0.301 |
0 |
1 |
0 |
0.000 |
| 5 |
5 |
|
B |
26 |
7 |
23349 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
22539 |
254.0 |
-2.3 |
0.311 |
2 |
2 |
0 |
0.000 |
| 6 |
6 |
|
[IDR]A:913 |
13 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
22539 |
182.7 |
-0.6 |
0.231 |
10 |
0 |
0 |
0.035 |
7 |
|
[IDR]B:921 |
12 |
1 |
312 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
23349 |
180.3 |
-0.9 |
0.186 |
10 |
0 |
0 |
0.035 |
| Average: |
181.5 |
-0.8 |
0.209 |
10 |
0 |
0 |
0.035 |
| 7 |
8 |
|
[NAG]A:904 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
22539 |
157.1 |
4.3 |
0.398 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[TLA]B:919 |
10 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
23349 |
139.6 |
2.0 |
0.682 |
5 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[GOL]A:911 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
22539 |
136.8 |
-0.4 |
0.526 |
3 |
0 |
0 |
0.012 |
| 10 |
11 |
|
[GOL]A:910 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
22539 |
135.7 |
-0.6 |
0.505 |
4 |
0 |
0 |
0.017 |
| 11 |
12 |
|
[GOL]B:917 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
23349 |
135.6 |
-0.3 |
0.567 |
4 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[GOL]B:914 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
23349 |
133.7 |
-0.1 |
0.582 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[GOL]B:913 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
23349 |
130.3 |
-0.2 |
0.588 |
4 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[NAG]A:902 |
11 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
22539 |
130.2 |
4.4 |
0.493 |
2 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:902 |
11 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
23349 |
129.2 |
4.2 |
0.466 |
2 |
0 |
0 |
0.000 |
| Average: |
129.7 |
4.3 |
0.480 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[NAG]B:901 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
23349 |
130.0 |
4.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[NAG]B:904 |
13 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
23349 |
129.9 |
3.2 |
0.391 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[NAG]B:904 |
11 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
22539 |
118.7 |
2.5 |
0.368 |
3 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[TLA]B:920 |
9 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
23349 |
117.5 |
2.6 |
0.708 |
4 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[MAN]B:910 |
10 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
23349 |
112.3 |
1.5 |
0.216 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[GOL]A:909 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
22539 |
107.9 |
0.2 |
0.565 |
5 |
0 |
0 |
0.014 |
| 21 |
23 |
|
[NAG]B:905 |
10 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
22539 |
105.6 |
2.1 |
0.294 |
2 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[NAG]B:905 |
10 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
23349 |
104.2 |
1.7 |
0.270 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:905 |
9 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
22539 |
100.4 |
1.9 |
0.326 |
1 |
0 |
0 |
0.000 |
| Average: |
102.3 |
1.8 |
0.298 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[NAG]A:901 |
11 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
22539 |
103.5 |
3.1 |
0.375 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[GOL]B:916 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23349 |
102.8 |
1.6 |
0.807 |
4 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[GOL]B:915 |
5 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
23349 |
95.7 |
-0.5 |
0.509 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[TLA]A:912 |
7 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
22539 |
94.4 |
-0.5 |
0.415 |
5 |
0 |
0 |
0.019 |
| 27 |
30 |
|
[SO4]A:915 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22539 |
90.8 |
-12.2 |
0.916 |
3 |
0 |
0 |
0.094 |
| 28 |
31 |
|
[GOL]B:918 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
23349 |
84.2 |
0.3 |
0.607 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[NAG]A:905 |
9 |
1 |
361 |
cf |
[NAG]A:904 |
x,y,z |
1_555 |
7 |
1 |
361 |
76.6 |
1.8 |
0.086 |
1 |
0 |
0 |
0.000 |
33 |
|
[NAG]B:905 |
10 |
1 |
363 |
cf |
[NAG]B:904 |
x,y,z |
1_555 |
7 |
1 |
361 |
64.3 |
1.8 |
0.087 |
1 |
0 |
0 |
0.000 |
| Average: |
70.5 |
1.8 |
0.087 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[NAG]B:903 |
9 |
1 |
365 |
cf |
[NAG]B:902 |
x,y,z |
1_555 |
6 |
1 |
365 |
73.0 |
1.7 |
0.098 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]A:903 |
10 |
1 |
366 |
cf |
[NAG]A:902 |
x,y,z |
1_555 |
6 |
1 |
363 |
72.7 |
1.7 |
0.092 |
0 |
0 |
0 |
0.000 |
| Average: |
72.8 |
1.7 |
0.095 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
B |
8 |
2 |
23349 |
◊ |
[TLA]A:912 |
-y+11/3,x-y+10/3,z+1/3 |
5_885 |
5 |
1 |
267 |
72.7 |
1.7 |
0.711 |
2 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[MAN]B:909 |
7 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23349 |
71.4 |
0.9 |
0.264 |
1 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[GOL]B:915 |
6 |
1 |
222 |
◊ |
A |
-x+y-1/3,-x+10/3,z+1/3 |
6_485 |
11 |
5 |
22539 |
70.9 |
0.1 |
0.609 |
2 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[BMA]A:906 |
8 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
22539 |
66.9 |
0.7 |
0.230 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[CL]A:914 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22539 |
65.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.077 |
41 |
|
[CL]B:922 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
23349 |
64.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
64.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.077 |
| 36 |
42 |
|
[MAN]B:910 |
8 |
1 |
292 |
cf |
[MAN]B:909 |
x,y,z |
1_555 |
7 |
1 |
292 |
64.6 |
2.7 |
0.168 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
B |
11 |
4 |
23349 |
◊ |
[TLA]B:919 |
-y+3,x-y+3,z |
2_885 |
8 |
1 |
268 |
63.4 |
-0.5 |
0.378 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[MAN]A:908 |
6 |
1 |
291 |
cf |
[BMA]A:906 |
x,y,z |
1_555 |
6 |
1 |
290 |
61.4 |
2.7 |
0.252 |
0 |
0 |
0 |
0.000 |
45 |
|
[MAN]B:911 |
7 |
1 |
288 |
cf |
[BMA]B:906 |
x,y,z |
1_555 |
5 |
1 |
291 |
55.3 |
2.4 |
0.253 |
0 |
0 |
0 |
0.000 |
| Average: |
58.4 |
2.5 |
0.252 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[MAN]B:908 |
6 |
1 |
292 |
cf |
[MAN]B:907 |
x,y,z |
1_555 |
5 |
1 |
289 |
61.2 |
2.7 |
0.275 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[MAN]A:907 |
8 |
1 |
291 |
cf |
[BMA]A:906 |
x,y,z |
1_555 |
5 |
1 |
290 |
61.0 |
2.5 |
0.196 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[IDR]B:921 |
8 |
1 |
312 |
f |
[MAN]B:910 |
x,y,z |
1_555 |
6 |
1 |
292 |
60.5 |
1.9 |
0.244 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[MAN]B:912 |
5 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23349 |
58.5 |
0.5 |
0.289 |
1 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[BMA]A:906 |
6 |
1 |
290 |
cf |
[NAG]A:905 |
x,y,z |
1_555 |
5 |
1 |
361 |
57.9 |
1.2 |
0.122 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[BMA]B:906 |
8 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
23349 |
56.7 |
1.0 |
0.268 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[MAN]B:912 |
7 |
1 |
288 |
cf |
[MAN]B:911 |
x,y,z |
1_555 |
6 |
1 |
288 |
56.6 |
2.4 |
0.183 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[MAN]B:909 |
6 |
1 |
292 |
cf |
[MAN]B:907 |
x,y,z |
1_555 |
4 |
1 |
289 |
56.1 |
2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[MAN]B:911 |
4 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
22539 |
55.3 |
0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[MAN]B:907 |
7 |
1 |
289 |
cf |
[BMA]B:906 |
x,y,z |
1_555 |
4 |
1 |
291 |
55.2 |
2.3 |
0.252 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
[BMA]B:906 |
7 |
1 |
291 |
cf |
[NAG]B:905 |
x,y,z |
1_555 |
5 |
1 |
363 |
53.0 |
1.1 |
0.113 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[MAN]B:908 |
7 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
22539 |
52.1 |
1.2 |
0.317 |
2 |
0 |
0 |
0.000 |
| 51 |
58 |
|
B |
6 |
3 |
23349 |
f |
[TLA]B:920 |
-y+3,x-y+3,z |
2_885 |
5 |
1 |
265 |
48.0 |
-1.3 |
0.307 |
1 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[MAN]B:907 |
4 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
23349 |
44.3 |
0.1 |
0.242 |
0 |
0 |
0 |
0.000 |
| 53 |
60 |
|
[BMA]B:906 |
5 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22539 |
41.0 |
1.2 |
0.336 |
1 |
0 |
0 |
0.000 |
| 54 |
61 |
|
[MAN]A:907 |
4 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
22539 |
36.4 |
0.4 |
0.309 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
[GOL]B:916 |
4 |
1 |
219 |
f |
[NAG]B:901 |
x,y,z |
1_555 |
4 |
1 |
359 |
35.4 |
1.2 |
0.429 |
0 |
0 |
0 |
0.000 |
| 56 |
63 |
|
[GOL]B:913 |
2 |
1 |
221 |
f |
[NAG]B:904 |
x,y,z |
1_555 |
4 |
1 |
361 |
33.1 |
0.7 |
0.391 |
1 |
0 |
0 |
0.000 |
| 57 |
64 |
|
[MAN]B:910 |
5 |
1 |
292 |
f |
[MAN]B:907 |
x,y,z |
1_555 |
2 |
1 |
289 |
30.4 |
1.3 |
0.260 |
0 |
0 |
0 |
0.000 |
| 58 |
65 |
|
[GOL]A:910 |
5 |
1 |
220 |
f |
[NAG]A:904 |
x,y,z |
1_555 |
4 |
1 |
361 |
28.6 |
0.8 |
0.372 |
0 |
0 |
0 |
0.000 |
| 59 |
66 |
|
[MAN]A:908 |
4 |
1 |
291 |
f |
[NAG]A:905 |
x,y,z |
1_555 |
4 |
1 |
361 |
27.2 |
0.6 |
0.153 |
0 |
0 |
0 |
0.000 |
| 60 |
67 |
|
[GOL]B:916 |
2 |
1 |
219 |
◊ |
A |
-y+11/3,x-y+10/3,z+1/3 |
5_885 |
2 |
2 |
22539 |
23.5 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 61 |
68 |
|
[TLA]B:920 |
3 |
1 |
265 |
◊ |
[TLA]B:919 |
x,y,z |
1_555 |
3 |
1 |
268 |
22.8 |
0.6 |
0.468 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[MAN]B:907 |
3 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22539 |
21.4 |
1.0 |
0.523 |
0 |
0 |
0 |
0.000 |
| 63 |
70 |
|
[MAN]A:908 |
3 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22539 |
19.0 |
0.3 |
0.393 |
0 |
0 |
0 |
0.000 |
| 64 |
71 |
|
[MAN]B:912 |
4 |
1 |
288 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
3 |
1 |
291 |
17.0 |
0.6 |
0.203 |
0 |
0 |
0 |
0.000 |
| 65 |
72 |
|
[GOL]A:909 |
2 |
1 |
216 |
f |
[NAG]A:902 |
x,y,z |
1_555 |
1 |
1 |
363 |
14.0 |
0.3 |
0.408 |
0 |
0 |
0 |
0.000 |
| 66 |
73 |
|
[MAN]B:908 |
4 |
1 |
292 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
1 |
1 |
291 |
12.6 |
0.3 |
0.158 |
0 |
0 |
0 |
0.000 |
| 67 |
74 |
|
[MAN]B:911 |
4 |
1 |
288 |
f |
[NAG]B:905 |
x,y,z |
1_555 |
2 |
1 |
363 |
11.2 |
0.4 |
0.196 |
0 |
0 |
0 |
0.000 |
| 68 |
75 |
|
[MAN]B:907 |
1 |
1 |
289 |
f |
[NAG]B:905 |
x,y,z |
1_555 |
1 |
1 |
363 |
8.9 |
0.4 |
0.279 |
0 |
0 |
0 |
0.000 |
| 69 |
76 |
|
[NAG]A:904 |
1 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23349 |
7.3 |
0.5 |
0.790 |
0 |
0 |
0 |
0.000 |
| 70 |
77 |
|
[MAN]B:911 |
1 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23349 |
6.4 |
0.1 |
0.260 |
0 |
0 |
0 |
0.000 |
| 71 |
78 |
|
[MAN]B:910 |
1 |
1 |
292 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
1 |
1 |
291 |
5.2 |
-0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 72 |
79 |
|
[MAN]A:907 |
2 |
1 |
291 |
f |
[NAG]A:905 |
x,y,z |
1_555 |
1 |
1 |
361 |
4.1 |
0.2 |
0.194 |
0 |
0 |
0 |
0.000 |
| 73 |
80 |
|
[MAN]B:909 |
1 |
1 |
292 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
1 |
1 |
291 |
2.7 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
| 74 |
81 |
|
[NAG]B:903 |
1 |
1 |
365 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
23349 |
2.5 |
-0.0 |
0.231 |
0 |
0 |
0 |
0.000 |
| 75 |
82 |
|
[MAN]B:908 |
1 |
1 |
292 |
f |
[NAG]B:905 |
x,y,z |
1_555 |
1 |
1 |
363 |
0.4 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|