## |
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 |
241 |
59 |
10875 |
◊ |
A |
x,y,z |
1_555 |
250 |
60 |
11148 |
2284.9 |
-38.7 |
0.020 |
12 |
11 |
0 |
0.587 |
2 |
|
C |
235 |
57 |
11282 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
237 |
57 |
11282 |
2186.3 |
-30.2 |
0.062 |
12 |
10 |
0 |
0.587 |
Average: |
2235.6 |
-34.5 |
0.041 |
12 |
11 |
0 |
0.587 |
2 |
3 |
|
C |
65 |
16 |
11282 |
◊ |
B |
x,y,z |
1_555 |
65 |
17 |
10875 |
585.4 |
-5.0 |
0.395 |
11 |
12 |
0 |
0.080 |
3 |
4 |
|
A |
61 |
14 |
11148 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
61 |
14 |
11148 |
559.8 |
-4.1 |
0.476 |
2 |
12 |
0 |
0.040 |
4 |
5 |
|
B |
40 |
12 |
10875 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
40 |
12 |
10875 |
293.6 |
-0.5 |
0.752 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
23 |
6 |
11282 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
33 |
12 |
11148 |
243.4 |
-1.3 |
0.590 |
2 |
3 |
0 |
0.000 |
6 |
7 |
|
C |
22 |
7 |
11282 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
8_457 |
30 |
9 |
11148 |
233.3 |
1.3 |
0.825 |
3 |
1 |
0 |
0.000 |
7 |
8 |
|
C |
19 |
6 |
11282 |
◊ |
B |
-x,y,-z+3/2 |
3_556 |
22 |
5 |
10875 |
201.3 |
-5.1 |
0.069 |
0 |
0 |
0 |
0.035 |
8 |
9 |
|
B |
22 |
8 |
10875 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
24 |
9 |
11282 |
195.5 |
-2.1 |
0.464 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
19 |
6 |
10875 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
23 |
5 |
11148 |
189.6 |
-4.7 |
0.107 |
0 |
0 |
0 |
0.055 |
10 |
11 |
|
C |
22 |
5 |
11282 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
11148 |
183.1 |
-5.0 |
0.084 |
0 |
0 |
0 |
0.034 |
11 |
12 |
|
[1PE]A:301 |
9 |
1 |
321 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
11148 |
155.2 |
-1.4 |
0.511 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[GOL]A:302 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
11148 |
116.8 |
-1.4 |
0.428 |
2 |
0 |
0 |
0.030 |
13 |
14 |
|
A |
18 |
8 |
11148 |
◊ |
A |
x,-y,-z+2 |
4_557 |
18 |
8 |
11148 |
109.2 |
1.7 |
0.870 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[PO4]A:303 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11148 |
108.2 |
-7.1 |
0.704 |
7 |
0 |
0 |
0.132 |
15 |
16 |
|
C |
9 |
3 |
11282 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
8_457 |
10 |
4 |
10875 |
88.5 |
-0.9 |
0.495 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]C:301 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
11282 |
79.1 |
2.0 |
0.440 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
C |
14 |
6 |
11282 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
14 |
6 |
11282 |
76.1 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:302 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
10875 |
74.8 |
1.5 |
0.236 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
B |
10 |
3 |
10875 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
10 |
6 |
11148 |
74.4 |
0.5 |
0.769 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[PGE]C:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
11282 |
74.1 |
1.2 |
0.407 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10875 |
73.9 |
1.9 |
0.271 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10875 |
72.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.243 |
24 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11282 |
71.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
71.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.243 |
23 |
25 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
10875 |
67.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.265 |
26 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
11282 |
67.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.265 |
Average: |
67.3 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.265 |
24 |
27 |
|
[EDO]C:301 |
4 |
1 |
183 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
10 |
3 |
11282 |
61.0 |
0.9 |
0.688 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[1PE]A:301 |
2 |
1 |
321 |
cf |
[1PE]A:301 |
-x,y,-z+3/2 |
3_556 |
3 |
1 |
321 |
60.0 |
3.9 |
0.900 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
C |
6 |
2 |
11282 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
6 |
1 |
10875 |
49.4 |
0.5 |
0.766 |
0 |
1 |
0 |
0.000 |
27 |
30 |
|
[CL]C:304 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
11 |
4 |
11282 |
48.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]B:303 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
10875 |
46.6 |
1.3 |
0.894 |
2 |
0 |
0 |
0.000 |
29 |
32 |
|
[1PE]A:301 |
2 |
1 |
321 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
6 |
3 |
11148 |
42.7 |
0.8 |
0.566 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
C |
4 |
1 |
11282 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
3 |
10875 |
39.4 |
-0.6 |
0.436 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[PGE]C:302 |
4 |
1 |
185 |
◊ |
C |
x,-y+1,-z+2 |
4_567 |
4 |
1 |
11282 |
38.6 |
1.1 |
0.450 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[EDO]B:303 |
4 |
1 |
183 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
4 |
2 |
10875 |
38.3 |
0.5 |
0.493 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[PO4]A:303 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
10875 |
35.9 |
-2.1 |
0.765 |
0 |
0 |
0 |
0.026 |
34 |
37 |
|
[PGE]C:302 |
3 |
1 |
185 |
f |
[PGE]C:302 |
x,-y+1,-z+2 |
4_567 |
3 |
1 |
185 |
33.3 |
1.1 |
0.203 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[PGE]C:302 |
3 |
1 |
185 |
fx |
[CL]C:304 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.131 |
36 |
39 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
5 |
1 |
10875 |
20.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[EDO]B:303 |
3 |
1 |
183 |
◊ |
[EDO]B:302 |
x,y,z |
1_555 |
2 |
1 |
182 |
13.3 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[EDO]C:301 |
1 |
1 |
183 |
f |
[EDO]C:301 |
-x,y,-z+3/2 |
3_556 |
1 |
1 |
183 |
12.2 |
0.3 |
1.000 |
1 |
0 |
0 |
0.100 |
39 |
42 |
|
[EDO]B:302 |
1 |
1 |
182 |
f |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
11282 |
4.3 |
0.0 |
0.792 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
2 |
1 |
11282 |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11148 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
41 |
45 |
|
B |
1 |
1 |
10875 |
x |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
10875 |
2.3 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
B |
1 |
1 |
10875 |
x |
B |
x-1/2,-y+1/2,-z+2 |
8_457 |
1 |
1 |
10875 |
1.1 |
0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
|