## |
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 |
|
A |
59 |
18 |
13095 |
x |
A |
-x,y-1/2,-z |
2_545 |
52 |
14 |
13095 |
474.6 |
2.2 |
0.809 |
7 |
2 |
0 |
0.000 |
2 |
|
B |
58 |
16 |
13151 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
53 |
13 |
13151 |
464.0 |
1.9 |
0.837 |
6 |
2 |
0 |
0.000 |
Average: |
469.3 |
2.1 |
0.823 |
7 |
2 |
0 |
0.000 |
2 |
3 |
|
B |
54 |
17 |
13151 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
13095 |
421.9 |
-2.3 |
0.479 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
38 |
15 |
13095 |
◊ |
B |
x,y-1,z |
1_545 |
34 |
11 |
13151 |
313.5 |
0.2 |
0.691 |
4 |
0 |
0 |
0.000 |
Average: |
367.7 |
-1.0 |
0.585 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
32 |
12 |
13095 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
35 |
16 |
13151 |
318.6 |
-1.2 |
0.523 |
3 |
0 |
0 |
0.000 |
6 |
|
A |
36 |
16 |
13095 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
12 |
13151 |
317.1 |
-0.8 |
0.579 |
4 |
0 |
0 |
0.000 |
Average: |
317.8 |
-1.0 |
0.551 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
A |
31 |
12 |
13095 |
x |
A |
x-1,y,z |
1_455 |
30 |
11 |
13095 |
256.9 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
31 |
10 |
13151 |
x |
B |
x-1,y,z |
1_455 |
31 |
11 |
13151 |
248.4 |
-1.7 |
0.339 |
0 |
0 |
0 |
0.000 |
Average: |
252.7 |
-1.4 |
0.369 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
[PBW]B:403 |
12 |
1 |
303 |
cf |
B |
x,y,z |
1_555 |
28 |
10 |
13151 |
174.0 |
0.2 |
0.577 |
3 |
0 |
0 |
0.000 |
10 |
|
[PBW]A:401 |
12 |
1 |
301 |
cf |
A |
x,y,z |
1_555 |
27 |
10 |
13095 |
171.8 |
0.2 |
0.552 |
3 |
0 |
0 |
0.000 |
Average: |
172.9 |
0.2 |
0.564 |
3 |
0 |
0 |
0.000 |
6 |
11 |
|
[MAN]C:1 |
11 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
13095 |
157.4 |
2.8 |
0.439 |
2 |
0 |
0 |
0.000 |
12 |
|
[MAN]D:1 |
11 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
13151 |
156.1 |
2.9 |
0.453 |
2 |
0 |
0 |
0.000 |
Average: |
156.7 |
2.8 |
0.446 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[MAN]D:2 |
11 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13151 |
142.3 |
2.5 |
0.321 |
2 |
0 |
0 |
0.000 |
14 |
|
[MAN]C:2 |
11 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13095 |
141.5 |
2.4 |
0.326 |
2 |
0 |
0 |
0.000 |
Average: |
141.9 |
2.4 |
0.324 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
A |
13 |
4 |
13095 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
6 |
13151 |
117.0 |
1.8 |
0.870 |
2 |
2 |
0 |
0.000 |
16 |
|
A |
12 |
5 |
13095 |
◊ |
B |
x-1,y-1,z |
1_445 |
7 |
4 |
13151 |
79.7 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
98.4 |
1.0 |
0.728 |
1 |
1 |
0 |
0.000 |
9 |
17 |
|
[EDO]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
13095 |
110.2 |
3.2 |
0.411 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
13151 |
109.2 |
3.3 |
0.429 |
2 |
0 |
0 |
0.000 |
Average: |
109.7 |
3.3 |
0.420 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
A |
15 |
5 |
13095 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
11 |
3 |
13095 |
107.0 |
-0.8 |
0.321 |
0 |
2 |
0 |
0.000 |
20 |
|
B |
15 |
6 |
13151 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
13151 |
104.1 |
0.3 |
0.619 |
1 |
1 |
0 |
0.000 |
Average: |
105.5 |
-0.3 |
0.470 |
1 |
2 |
0 |
0.000 |
11 |
21 |
|
[EDO]A:407 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13095 |
98.5 |
3.4 |
0.435 |
2 |
0 |
0 |
0.000 |
12 |
22 |
|
[EDO]B:401 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
13151 |
95.8 |
2.8 |
0.438 |
1 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:405 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
13095 |
95.1 |
2.9 |
0.432 |
1 |
0 |
0 |
0.000 |
Average: |
95.4 |
2.9 |
0.435 |
1 |
0 |
0 |
0.000 |
13 |
24 |
|
[EDO]B:402 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
13151 |
94.9 |
2.7 |
0.424 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[EDO]A:404 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13095 |
73.6 |
1.4 |
0.691 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:406 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13151 |
72.7 |
1.4 |
0.718 |
2 |
0 |
0 |
0.000 |
Average: |
73.1 |
1.4 |
0.705 |
2 |
0 |
0 |
0.000 |
15 |
27 |
|
[EDO]B:406 |
4 |
1 |
183 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
13151 |
72.1 |
1.6 |
0.174 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
11 |
5 |
13095 |
◊ |
[EDO]A:404 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
70.4 |
1.5 |
0.167 |
0 |
0 |
0 |
0.000 |
Average: |
71.2 |
1.5 |
0.170 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[MAN]C:2 |
6 |
1 |
290 |
cf |
[MAN]C:1 |
x,y,z |
1_555 |
5 |
1 |
290 |
57.7 |
2.5 |
0.295 |
0 |
0 |
0 |
0.000 |
30 |
|
[MAN]D:2 |
6 |
1 |
291 |
cf |
[MAN]D:1 |
x,y,z |
1_555 |
5 |
1 |
290 |
57.6 |
2.4 |
0.267 |
0 |
0 |
0 |
0.000 |
Average: |
57.7 |
2.5 |
0.281 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[MAN]C:1 |
5 |
1 |
290 |
cf |
[PBW]A:401 |
x,y,z |
1_555 |
4 |
1 |
301 |
50.1 |
1.5 |
0.440 |
0 |
0 |
0 |
0.000 |
32 |
|
[MAN]D:1 |
5 |
1 |
290 |
cf |
[PBW]B:403 |
x,y,z |
1_555 |
4 |
1 |
303 |
49.7 |
1.5 |
0.445 |
0 |
0 |
0 |
0.000 |
Average: |
49.9 |
1.5 |
0.443 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
B |
9 |
4 |
13151 |
f |
[EDO]B:401 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
46.2 |
1.0 |
0.842 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:405 |
4 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
8 |
4 |
13095 |
45.9 |
1.1 |
0.839 |
2 |
0 |
0 |
0.000 |
Average: |
46.1 |
1.0 |
0.841 |
2 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
3 |
2 |
13095 |
f |
[EDO]B:402 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
183 |
36.9 |
-0.4 |
0.211 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
B |
3 |
2 |
13151 |
◊ |
[PBW]B:403 |
x-1,y,z |
1_455 |
3 |
1 |
303 |
32.3 |
-0.9 |
0.233 |
0 |
0 |
0 |
0.000 |
37 |
|
[PBW]A:401 |
3 |
1 |
301 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
13095 |
31.7 |
-1.0 |
0.224 |
0 |
0 |
0 |
0.000 |
Average: |
32.0 |
-1.0 |
0.229 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
A |
3 |
2 |
13095 |
◊ |
[MAN]C:2 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
290 |
19.7 |
0.1 |
0.321 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
3 |
2 |
13151 |
◊ |
[MAN]D:2 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
291 |
19.0 |
0.1 |
0.325 |
0 |
0 |
0 |
0.000 |
Average: |
19.3 |
0.1 |
0.323 |
0 |
0 |
0 |
0.000 |
|