## |
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 |
162 |
44 |
9887 |
◊ |
A |
x,y,z |
1_555 |
161 |
45 |
10058 |
1521.1 |
-23.9 |
0.058 |
14 |
6 |
0 |
0.511 |
2 |
|
D |
156 |
44 |
9072 |
◊ |
C |
x,y,z |
1_555 |
158 |
42 |
8936 |
1450.4 |
-23.9 |
0.023 |
13 |
5 |
0 |
0.511 |
Average: |
1485.7 |
-23.9 |
0.040 |
14 |
6 |
0 |
0.511 |
2 |
3 |
|
D |
73 |
20 |
9072 |
◊ |
B |
x,y,z |
1_555 |
80 |
23 |
9887 |
658.1 |
-0.7 |
0.759 |
10 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
60 |
16 |
10058 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
58 |
15 |
9887 |
496.8 |
-2.2 |
0.670 |
6 |
5 |
0 |
0.000 |
5 |
|
C |
50 |
14 |
8936 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
59 |
15 |
9072 |
471.4 |
-1.1 |
0.663 |
6 |
4 |
0 |
0.000 |
Average: |
484.1 |
-1.7 |
0.666 |
6 |
5 |
0 |
0.000 |
4 |
6 |
|
[AMP]D:301 |
21 |
1 |
500 |
f |
D |
x,y,z |
1_555 |
41 |
16 |
9072 |
290.3 |
-3.3 |
0.485 |
10 |
0 |
0 |
0.262 |
7 |
|
[AMP]C:301 |
21 |
1 |
496 |
f |
C |
x,y,z |
1_555 |
36 |
14 |
8936 |
288.1 |
-3.0 |
0.487 |
11 |
0 |
0 |
0.262 |
Average: |
289.2 |
-3.1 |
0.486 |
11 |
0 |
0 |
0.262 |
5 |
8 |
|
A |
28 |
6 |
10058 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
27 |
9 |
8936 |
239.7 |
-1.4 |
0.542 |
4 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
20 |
6 |
8936 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
9887 |
155.5 |
-0.8 |
0.536 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
15 |
5 |
10058 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
5 |
9887 |
138.8 |
1.4 |
0.828 |
4 |
2 |
0 |
0.000 |
8 |
11 |
|
[GOL]B:303 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
9887 |
136.0 |
0.0 |
0.613 |
7 |
0 |
0 |
0.027 |
9 |
12 |
|
[AMP]C:301 |
13 |
1 |
496 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
9072 |
119.3 |
-0.0 |
0.610 |
1 |
0 |
0 |
0.015 |
13 |
|
[AMP]D:301 |
12 |
1 |
500 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
8936 |
117.0 |
0.4 |
0.654 |
2 |
0 |
0 |
0.015 |
Average: |
118.2 |
0.2 |
0.632 |
2 |
0 |
0 |
0.015 |
10 |
14 |
|
[SO4]B:306 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
9887 |
110.6 |
-17.0 |
0.734 |
2 |
0 |
0 |
0.157 |
11 |
15 |
|
[PO4]B:305 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
9887 |
106.5 |
-6.8 |
0.691 |
7 |
0 |
0 |
0.087 |
12 |
16 |
|
[PO4]A:303 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
10058 |
105.1 |
-6.8 |
0.709 |
7 |
0 |
0 |
0.087 |
13 |
17 |
|
[GOL]A:302 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
9887 |
101.2 |
-0.5 |
0.527 |
2 |
0 |
0 |
0.012 |
14 |
18 |
|
[GOL]A:302 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
10058 |
93.9 |
0.1 |
0.657 |
3 |
0 |
0 |
0.011 |
15 |
19 |
|
[GOL]C:302 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
8936 |
92.6 |
0.4 |
0.693 |
3 |
0 |
0 |
0.015 |
16 |
20 |
|
[GOL]D:302 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
9072 |
92.4 |
-0.1 |
0.597 |
3 |
0 |
0 |
0.000 |
17 |
21 |
|
[GOL]D:302 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
9887 |
90.8 |
-1.6 |
0.406 |
1 |
0 |
0 |
0.018 |
18 |
22 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10058 |
88.6 |
-12.8 |
0.630 |
1 |
0 |
0 |
0.116 |
19 |
23 |
|
[GOL]C:302 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
9072 |
88.2 |
-0.8 |
0.495 |
4 |
0 |
0 |
0.043 |
20 |
24 |
|
[EDO]A:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
10058 |
87.4 |
3.0 |
0.319 |
4 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]B:307 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9887 |
80.4 |
-11.1 |
0.678 |
2 |
0 |
0 |
0.106 |
22 |
26 |
|
A |
12 |
3 |
10058 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
10058 |
78.7 |
1.1 |
0.844 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:301 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9887 |
77.2 |
2.1 |
0.291 |
5 |
0 |
0 |
0.001 |
24 |
28 |
|
A |
13 |
7 |
10058 |
◊ |
[EDO]B:302 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
182 |
74.4 |
2.2 |
0.505 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[SO4]D:303 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
9072 |
68.1 |
-9.4 |
0.744 |
0 |
0 |
0 |
0.158 |
26 |
30 |
|
A |
13 |
4 |
10058 |
◊ |
[EDO]B:301 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
182 |
67.5 |
1.6 |
0.487 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]B:302 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
9887 |
67.3 |
1.4 |
0.260 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[GOL]B:304 |
5 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9887 |
62.7 |
0.1 |
0.586 |
2 |
0 |
0 |
0.000 |
29 |
33 |
|
A |
10 |
4 |
10058 |
f |
[GOL]B:304 |
x-1,y,z |
1_455 |
5 |
1 |
221 |
55.1 |
-1.1 |
0.388 |
0 |
0 |
0 |
0.009 |
30 |
34 |
|
[EDO]A:301 |
2 |
1 |
185 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
9887 |
48.6 |
1.2 |
0.574 |
2 |
0 |
0 |
0.000 |
31 |
35 |
|
[PO4]A:303 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9887 |
42.1 |
-1.8 |
0.895 |
0 |
0 |
0 |
0.016 |
32 |
36 |
|
[SO4]B:307 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10058 |
38.0 |
-5.0 |
0.527 |
0 |
0 |
0 |
0.044 |
33 |
37 |
|
[SO4]A:304 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9887 |
25.9 |
-3.2 |
0.761 |
1 |
0 |
0 |
0.032 |
34 |
38 |
|
[PO4]B:305 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
10058 |
22.3 |
-0.8 |
0.894 |
0 |
0 |
0 |
0.007 |
35 |
39 |
|
[AMP]D:301 |
3 |
1 |
500 |
f |
[GOL]C:302 |
x,y,z |
1_555 |
2 |
1 |
220 |
13.1 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
C |
2 |
1 |
8936 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
9072 |
9.6 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[PO4]B:305 |
1 |
1 |
188 |
f |
[GOL]B:303 |
x,y,z |
1_555 |
2 |
1 |
223 |
8.7 |
-0.5 |
0.683 |
0 |
0 |
0 |
0.004 |
38 |
42 |
|
A |
1 |
1 |
10058 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9887 |
7.1 |
0.2 |
0.815 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[AMP]C:301 |
1 |
1 |
496 |
◊ |
[GOL]C:302 |
x,y,z |
1_555 |
2 |
1 |
220 |
5.5 |
0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
C |
1 |
1 |
8936 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
9072 |
5.2 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[SO4]B:307 |
1 |
1 |
187 |
f |
[GOL]A:302 |
x,y,z |
1_555 |
2 |
1 |
219 |
2.3 |
-0.3 |
0.764 |
0 |
0 |
0 |
0.002 |
|