## |
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 |
176 |
48 |
15235 |
◊ |
A |
x,y,z |
1_555 |
168 |
47 |
15144 |
1677.1 |
-15.9 |
0.063 |
21 |
0 |
0 |
0.194 |
2 |
2 |
|
A |
55 |
17 |
15144 |
◊ |
B |
-x-1,-x+y-1,-z+1/3 |
6_445 |
57 |
20 |
15235 |
443.4 |
1.3 |
0.744 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
37 |
10 |
15144 |
x |
A |
-y-1,x-y,z+1/3 |
2_455 |
26 |
8 |
15144 |
264.5 |
-2.3 |
0.314 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
18 |
6 |
15144 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
24 |
9 |
15235 |
176.1 |
0.2 |
0.606 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
[MES]B:407 |
12 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
15235 |
166.7 |
5.2 |
0.204 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[BMA]A:402 |
11 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
15144 |
158.3 |
3.7 |
0.536 |
6 |
0 |
0 |
0.000 |
7 |
|
[BMA]B:410 |
11 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
15235 |
155.8 |
3.4 |
0.505 |
7 |
0 |
0 |
0.000 |
Average: |
157.1 |
3.6 |
0.520 |
7 |
0 |
0 |
0.000 |
7 |
8 |
|
[MAN]B:411 |
11 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
15235 |
150.4 |
2.4 |
0.453 |
3 |
0 |
0 |
0.000 |
9 |
|
[MAN]A:403 |
11 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
15144 |
146.0 |
2.3 |
0.431 |
2 |
0 |
0 |
0.000 |
Average: |
148.2 |
2.3 |
0.442 |
3 |
0 |
0 |
0.000 |
8 |
10 |
|
[BMA]A:401 |
12 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
15144 |
141.0 |
3.4 |
0.578 |
8 |
0 |
0 |
0.007 |
11 |
|
[BMA]B:409 |
12 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
15235 |
140.6 |
3.2 |
0.554 |
9 |
0 |
0 |
0.007 |
Average: |
140.8 |
3.3 |
0.566 |
9 |
0 |
0 |
0.007 |
9 |
12 |
|
[MES]B:408 |
10 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
15235 |
137.0 |
1.7 |
0.076 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[MES]A:409 |
12 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
15144 |
136.4 |
1.8 |
0.045 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
17 |
5 |
15235 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
13 |
4 |
15144 |
129.5 |
0.0 |
0.596 |
1 |
1 |
0 |
0.000 |
12 |
15 |
|
[SO4]A:407 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15144 |
97.5 |
-13.5 |
0.869 |
3 |
0 |
0 |
0.114 |
13 |
16 |
|
[GOL]B:405 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15235 |
96.8 |
0.4 |
0.666 |
4 |
0 |
0 |
0.011 |
14 |
17 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15235 |
94.1 |
-12.7 |
0.873 |
4 |
0 |
0 |
0.111 |
15 |
18 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15144 |
80.1 |
-12.1 |
0.773 |
3 |
0 |
0 |
0.104 |
16 |
19 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
15144 |
75.1 |
-13.3 |
0.467 |
4 |
0 |
0 |
0.116 |
17 |
20 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
15235 |
73.7 |
-12.9 |
0.484 |
4 |
0 |
0 |
0.113 |
18 |
21 |
|
[GOL]B:406 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15144 |
69.9 |
-0.8 |
0.442 |
1 |
0 |
0 |
0.009 |
19 |
22 |
|
[SO4]B:403 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15235 |
66.9 |
-8.8 |
0.898 |
3 |
0 |
0 |
0.078 |
20 |
23 |
|
[SO4]B:404 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15235 |
64.2 |
-8.1 |
0.861 |
2 |
0 |
0 |
0.069 |
21 |
24 |
|
[SO4]A:406 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15144 |
64.1 |
-9.2 |
0.611 |
1 |
0 |
0 |
0.074 |
22 |
25 |
|
B |
10 |
4 |
15235 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
10 |
4 |
15235 |
62.1 |
-0.7 |
0.442 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]A:408 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15144 |
61.7 |
-7.7 |
0.906 |
2 |
0 |
0 |
0.066 |
24 |
27 |
|
[GOL]B:406 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15235 |
57.2 |
0.6 |
0.721 |
2 |
0 |
0 |
0.002 |
25 |
28 |
|
[BMA]B:410 |
7 |
1 |
292 |
cf |
[BMA]B:409 |
x,y,z |
1_555 |
7 |
1 |
298 |
50.6 |
2.0 |
0.203 |
0 |
0 |
0 |
0.000 |
29 |
|
[BMA]A:402 |
8 |
1 |
295 |
cf |
[BMA]A:401 |
x,y,z |
1_555 |
8 |
1 |
298 |
49.6 |
1.8 |
0.145 |
0 |
0 |
0 |
0.000 |
Average: |
50.1 |
1.9 |
0.174 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[SO4]A:406 |
4 |
1 |
186 |
◊ |
B |
-x-1,-x+y-1,-z+1/3 |
6_445 |
8 |
2 |
15235 |
47.7 |
-6.6 |
0.483 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[MAN]B:411 |
5 |
1 |
296 |
cf |
[BMA]B:410 |
x,y,z |
1_555 |
5 |
1 |
292 |
44.3 |
1.8 |
0.250 |
0 |
0 |
0 |
0.000 |
32 |
|
[MAN]A:403 |
4 |
1 |
295 |
cf |
[BMA]A:402 |
x,y,z |
1_555 |
5 |
1 |
295 |
43.9 |
1.6 |
0.259 |
0 |
0 |
0 |
0.000 |
Average: |
44.1 |
1.7 |
0.254 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[MAN]A:403 |
6 |
1 |
295 |
f |
[BMA]A:401 |
x,y,z |
1_555 |
7 |
1 |
298 |
38.0 |
1.5 |
0.195 |
0 |
0 |
0 |
0.000 |
34 |
|
[MAN]B:411 |
5 |
1 |
296 |
f |
[BMA]B:409 |
x,y,z |
1_555 |
8 |
1 |
298 |
37.8 |
1.7 |
0.241 |
0 |
0 |
0 |
0.000 |
Average: |
37.9 |
1.6 |
0.218 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
4 |
3 |
15235 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
4 |
3 |
15235 |
37.4 |
-0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[SO4]B:401 |
3 |
1 |
186 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
2 |
1 |
15235 |
33.4 |
-3.9 |
0.889 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
[MAN]A:403 |
x,y,z |
1_555 |
5 |
1 |
295 |
32.5 |
-3.3 |
0.416 |
0 |
0 |
0 |
0.025 |
32 |
38 |
|
[SO4]B:402 |
4 |
1 |
185 |
f |
[MAN]B:411 |
x,y,z |
1_555 |
6 |
1 |
296 |
32.3 |
-3.4 |
0.376 |
0 |
0 |
0 |
0.026 |
33 |
39 |
|
[SO4]A:404 |
4 |
1 |
186 |
f |
[BMA]A:401 |
x,y,z |
1_555 |
5 |
1 |
298 |
31.2 |
-3.1 |
0.532 |
0 |
0 |
0 |
0.024 |
34 |
40 |
|
[SO4]B:402 |
4 |
1 |
185 |
f |
[BMA]B:409 |
x,y,z |
1_555 |
5 |
1 |
298 |
31.0 |
-3.1 |
0.527 |
0 |
0 |
0 |
0.024 |
35 |
41 |
|
B |
3 |
1 |
15235 |
◊ |
A |
-y-1,x-y,z-2/3 |
2_454 |
2 |
1 |
15144 |
14.2 |
0.7 |
0.833 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[SO4]B:402 |
3 |
1 |
185 |
f |
[BMA]B:410 |
x,y,z |
1_555 |
2 |
1 |
292 |
11.0 |
-0.9 |
0.512 |
0 |
0 |
0 |
0.007 |
37 |
43 |
|
[MAN]B:411 |
2 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15144 |
8.4 |
0.2 |
0.458 |
0 |
0 |
0 |
0.000 |
44 |
|
[MAN]A:403 |
3 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15235 |
6.9 |
0.2 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
7.6 |
0.2 |
0.421 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[GOL]B:405 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15144 |
8.2 |
-0.0 |
0.432 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[SO4]A:404 |
3 |
1 |
186 |
f |
[BMA]A:402 |
x,y,z |
1_555 |
2 |
1 |
295 |
8.0 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.005 |
40 |
47 |
|
[SO4]B:401 |
1 |
1 |
186 |
◊ |
[SO4]B:401 |
x-y,-y,-z-1/3 |
5_554 |
1 |
1 |
186 |
7.0 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.000 |
|