## |
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 |
83 |
29 |
23522 |
x |
B |
-y,x-y,z |
2_555 |
81 |
26 |
23522 |
773.9 |
-0.6 |
0.669 |
5 |
3 |
0 |
0.000 |
2 |
2 |
|
A |
66 |
20 |
22646 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
69 |
22 |
23522 |
642.3 |
0.4 |
0.704 |
7 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
50 |
13 |
22646 |
◊ |
B |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
65 |
20 |
23522 |
539.0 |
-2.6 |
0.360 |
8 |
3 |
0 |
0.000 |
4 |
4 |
|
A |
41 |
15 |
22646 |
◊ |
B |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
39 |
13 |
23522 |
342.7 |
-3.7 |
0.255 |
0 |
1 |
0 |
0.000 |
5 |
5 |
|
B |
25 |
7 |
23522 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
22646 |
275.9 |
-2.3 |
0.325 |
2 |
2 |
0 |
0.000 |
6 |
6 |
|
[FIF]A:911 |
12 |
1 |
301 |
cf |
A |
x,y,z |
1_555 |
24 |
13 |
22646 |
179.1 |
1.5 |
0.375 |
7 |
0 |
0 |
0.000 |
7 |
|
[FIF]B:919 |
12 |
1 |
299 |
cf |
B |
x,y,z |
1_555 |
26 |
13 |
23522 |
173.3 |
1.5 |
0.412 |
10 |
0 |
0 |
0.000 |
Average: |
176.2 |
1.5 |
0.393 |
9 |
0 |
0 |
0.000 |
7 |
8 |
|
[NAG]A:904 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
22646 |
160.8 |
4.4 |
0.416 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[GOL]B:913 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
23522 |
149.5 |
-0.5 |
0.591 |
5 |
0 |
0 |
0.000 |
9 |
10 |
|
[TLA]B:917 |
10 |
1 |
268 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
23522 |
139.1 |
1.5 |
0.689 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[NAG]A:902 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
22646 |
138.9 |
4.8 |
0.499 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:902 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
23522 |
136.4 |
4.8 |
0.488 |
1 |
0 |
0 |
0.000 |
Average: |
137.6 |
4.8 |
0.493 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[GOL]B:916 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
23522 |
137.0 |
-0.3 |
0.565 |
5 |
0 |
0 |
0.000 |
12 |
14 |
|
[GOL]B:915 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
23522 |
136.1 |
-0.1 |
0.600 |
3 |
0 |
0 |
0.000 |
13 |
15 |
|
[GOL]B:914 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
23522 |
133.6 |
-0.2 |
0.589 |
4 |
0 |
0 |
0.000 |
14 |
16 |
|
[NAG]B:901 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
23522 |
131.8 |
4.0 |
0.393 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[NAG]B:904 |
13 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
23522 |
129.4 |
3.2 |
0.398 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[SRT]B:918 |
8 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23522 |
124.2 |
1.8 |
0.626 |
6 |
0 |
0 |
0.000 |
17 |
19 |
|
[NAG]B:904 |
11 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
22646 |
120.7 |
2.5 |
0.349 |
3 |
0 |
0 |
0.000 |
18 |
20 |
|
[GOL]A:909 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
22646 |
111.8 |
0.1 |
0.567 |
3 |
0 |
0 |
0.000 |
19 |
21 |
|
[MAN]B:910 |
8 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23522 |
108.5 |
1.8 |
0.334 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[NAG]B:905 |
10 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
22646 |
107.7 |
2.3 |
0.318 |
2 |
0 |
0 |
0.000 |
21 |
23 |
|
[NAG]A:905 |
9 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
22646 |
104.5 |
2.2 |
0.357 |
1 |
0 |
0 |
0.000 |
22 |
24 |
|
[NAG]A:901 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
22646 |
104.4 |
3.2 |
0.305 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[NAG]B:905 |
10 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
23522 |
103.5 |
1.7 |
0.300 |
1 |
0 |
0 |
0.000 |
24 |
26 |
|
[GOL]A:910 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22646 |
100.7 |
1.7 |
0.732 |
3 |
0 |
0 |
0.000 |
25 |
27 |
|
[MAN]B:909 |
8 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23522 |
97.5 |
0.4 |
0.171 |
1 |
0 |
0 |
0.000 |
26 |
28 |
|
[MAN]B:907 |
7 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
23522 |
80.2 |
-0.1 |
0.110 |
1 |
0 |
0 |
0.000 |
27 |
29 |
|
[NAG]A:905 |
9 |
1 |
365 |
cf |
[NAG]A:904 |
x,y,z |
1_555 |
7 |
1 |
360 |
76.7 |
2.0 |
0.102 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[NAG]B:903 |
9 |
1 |
362 |
cf |
[NAG]B:902 |
x,y,z |
1_555 |
6 |
1 |
363 |
76.6 |
1.9 |
0.094 |
1 |
0 |
0 |
0.000 |
31 |
|
[NAG]A:903 |
9 |
1 |
361 |
cf |
[NAG]A:902 |
x,y,z |
1_555 |
5 |
1 |
361 |
70.8 |
1.9 |
0.122 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
1.9 |
0.108 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
[BMA]A:906 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
22646 |
71.5 |
0.7 |
0.225 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[MAN]B:912 |
5 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23522 |
71.1 |
0.3 |
0.260 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[MAN]B:910 |
8 |
1 |
294 |
cf |
[MAN]B:909 |
x,y,z |
1_555 |
7 |
1 |
292 |
68.5 |
2.7 |
0.167 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[CL]A:912 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22646 |
64.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[CL]B:920 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
23522 |
64.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
64.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[TLA]B:917 |
8 |
1 |
268 |
f |
B |
-y,x-y,z |
2_555 |
10 |
4 |
23522 |
64.2 |
-0.7 |
0.361 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[NAG]B:905 |
10 |
1 |
363 |
cf |
[NAG]B:904 |
x,y,z |
1_555 |
7 |
1 |
361 |
62.8 |
1.7 |
0.082 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
[MAN]A:908 |
7 |
1 |
295 |
cf |
[BMA]A:906 |
x,y,z |
1_555 |
6 |
1 |
293 |
60.6 |
2.6 |
0.188 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[MAN]B:912 |
7 |
1 |
292 |
cf |
[MAN]B:911 |
x,y,z |
1_555 |
5 |
1 |
293 |
59.5 |
2.5 |
0.214 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[MAN]A:907 |
7 |
1 |
292 |
cf |
[BMA]A:906 |
x,y,z |
1_555 |
5 |
1 |
293 |
59.2 |
2.6 |
0.233 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[BMA]A:906 |
7 |
1 |
293 |
cf |
[NAG]A:905 |
x,y,z |
1_555 |
5 |
1 |
365 |
58.2 |
1.2 |
0.115 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[MAN]B:911 |
6 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
22646 |
57.6 |
0.6 |
0.275 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[BMA]B:906 |
8 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
23522 |
56.6 |
0.9 |
0.258 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[MAN]B:908 |
6 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22646 |
54.9 |
1.5 |
0.398 |
1 |
0 |
0 |
0.000 |
42 |
46 |
|
[MAN]B:908 |
8 |
1 |
292 |
cf |
[MAN]B:907 |
x,y,z |
1_555 |
5 |
1 |
290 |
54.8 |
2.4 |
0.193 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[MAN]B:911 |
7 |
1 |
293 |
cf |
[BMA]B:906 |
x,y,z |
1_555 |
5 |
1 |
291 |
54.3 |
2.4 |
0.212 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[FIF]B:919 |
6 |
1 |
299 |
f |
[MAN]B:910 |
x,y,z |
1_555 |
6 |
1 |
294 |
54.3 |
1.9 |
0.244 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[BMA]B:906 |
7 |
1 |
291 |
cf |
[NAG]B:905 |
x,y,z |
1_555 |
5 |
1 |
363 |
52.1 |
1.0 |
0.110 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[MAN]B:909 |
6 |
1 |
292 |
cf |
[MAN]B:907 |
x,y,z |
1_555 |
4 |
1 |
290 |
51.4 |
2.1 |
0.268 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[MAN]B:907 |
7 |
1 |
290 |
cf |
[BMA]B:906 |
x,y,z |
1_555 |
4 |
1 |
291 |
50.8 |
2.1 |
0.242 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[MAN]A:907 |
5 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
22646 |
42.7 |
-0.0 |
0.122 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[SRT]B:918 |
5 |
1 |
272 |
f |
[NAG]B:901 |
x,y,z |
1_555 |
4 |
1 |
362 |
42.7 |
1.9 |
0.414 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[MAN]B:908 |
6 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
23522 |
42.1 |
0.0 |
0.125 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[BMA]B:906 |
6 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22646 |
40.9 |
1.3 |
0.313 |
1 |
0 |
0 |
0.000 |
52 |
56 |
|
[GOL]B:914 |
2 |
1 |
222 |
f |
[NAG]B:904 |
x,y,z |
1_555 |
4 |
1 |
361 |
32.2 |
0.6 |
0.377 |
1 |
0 |
0 |
0.000 |
53 |
57 |
|
[MAN]B:910 |
4 |
1 |
294 |
f |
[MAN]B:907 |
x,y,z |
1_555 |
2 |
1 |
290 |
30.7 |
1.3 |
0.332 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
A |
2 |
2 |
22646 |
◊ |
[SRT]B:918 |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
4 |
1 |
272 |
27.1 |
0.7 |
0.728 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[MAN]B:912 |
5 |
1 |
292 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
3 |
1 |
291 |
21.7 |
0.7 |
0.184 |
0 |
0 |
0 |
0.000 |
56 |
60 |
|
[MAN]A:908 |
5 |
1 |
295 |
f |
[NAG]A:905 |
x,y,z |
1_555 |
4 |
1 |
365 |
19.9 |
0.4 |
0.135 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[MAN]B:907 |
3 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22646 |
19.7 |
0.9 |
0.513 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
[MAN]A:908 |
3 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
22646 |
15.5 |
0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[MAN]B:911 |
3 |
1 |
293 |
f |
[NAG]B:905 |
x,y,z |
1_555 |
2 |
1 |
363 |
12.3 |
0.4 |
0.216 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
[NAG]A:904 |
1 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23522 |
11.0 |
0.7 |
0.806 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[MAN]B:907 |
2 |
1 |
290 |
f |
[NAG]B:905 |
x,y,z |
1_555 |
1 |
1 |
363 |
10.9 |
0.5 |
0.275 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
[MAN]B:908 |
4 |
1 |
292 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
1 |
1 |
291 |
10.0 |
0.4 |
0.150 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[MAN]B:910 |
1 |
1 |
294 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
2 |
1 |
291 |
8.2 |
-0.0 |
0.173 |
0 |
0 |
0 |
0.000 |
64 |
68 |
|
[MAN]A:907 |
2 |
1 |
292 |
f |
[NAG]A:905 |
x,y,z |
1_555 |
1 |
1 |
365 |
7.0 |
0.3 |
0.194 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
[GOL]A:909 |
1 |
1 |
219 |
f |
[NAG]A:902 |
x,y,z |
1_555 |
2 |
1 |
361 |
5.1 |
0.2 |
0.319 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
B |
1 |
1 |
23522 |
◊ |
[NAG]B:903 |
x,y,z-1 |
1_554 |
1 |
1 |
362 |
4.6 |
-0.0 |
0.208 |
0 |
0 |
0 |
0.000 |
67 |
71 |
|
[MAN]B:909 |
1 |
1 |
292 |
f |
[BMA]B:906 |
x,y,z |
1_555 |
2 |
1 |
291 |
3.4 |
0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
[MAN]B:911 |
1 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23522 |
3.3 |
-0.0 |
0.251 |
0 |
0 |
0 |
0.000 |
|