## |
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 |
171 |
46 |
14917 |
◊ |
A |
x,y,z |
1_555 |
171 |
45 |
15024 |
1588.7 |
-8.3 |
0.432 |
16 |
7 |
0 |
0.234 |
2 |
|
D |
138 |
40 |
14749 |
◊ |
C |
x,y,z |
1_555 |
133 |
37 |
14165 |
1256.1 |
-11.8 |
0.198 |
14 |
5 |
0 |
0.234 |
Average: |
1422.4 |
-10.1 |
0.315 |
15 |
6 |
0 |
0.234 |
2 |
3 |
|
D |
57 |
18 |
14749 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
58 |
16 |
13835 |
540.0 |
0.8 |
0.773 |
12 |
6 |
0 |
0.046 |
3 |
4 |
|
C |
42 |
13 |
14165 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
43 |
13 |
15024 |
429.4 |
-3.5 |
0.333 |
6 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
47 |
15 |
14749 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
50 |
17 |
14917 |
426.8 |
-5.8 |
0.202 |
0 |
0 |
0 |
0.042 |
5 |
6 |
|
C |
44 |
14 |
14165 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
42 |
13 |
14917 |
410.3 |
-4.1 |
0.155 |
3 |
0 |
0 |
0.024 |
6 |
7 |
|
E |
39 |
10 |
13835 |
◊ |
A |
x,y,z |
1_555 |
35 |
9 |
15024 |
406.7 |
-0.3 |
0.662 |
4 |
7 |
0 |
0.000 |
7 |
8 |
|
B |
32 |
10 |
14917 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
34 |
11 |
14749 |
386.0 |
-0.1 |
0.636 |
6 |
8 |
0 |
0.000 |
8 |
9 |
|
C |
35 |
13 |
14165 |
◊ |
A |
x,y,z |
1_555 |
37 |
9 |
15024 |
370.1 |
1.2 |
0.626 |
4 |
9 |
0 |
0.000 |
9 |
10 |
|
A |
33 |
8 |
15024 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
33 |
9 |
14165 |
277.5 |
-1.6 |
0.455 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
E |
26 |
10 |
13835 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
12 |
14917 |
240.7 |
0.3 |
0.703 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
D |
25 |
9 |
14749 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
25 |
10 |
14917 |
228.3 |
-1.4 |
0.489 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[PGE]C:1765 |
10 |
1 |
325 |
f |
C |
x,y,z |
1_555 |
33 |
13 |
14165 |
197.0 |
4.2 |
0.304 |
4 |
0 |
0 |
0.000 |
13 |
14 |
|
[PGE]D:1771 |
9 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
32 |
12 |
14749 |
182.2 |
4.6 |
0.347 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[PGE]D:1770 |
10 |
1 |
339 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
14749 |
154.1 |
3.6 |
0.202 |
2 |
0 |
0 |
0.000 |
15 |
16 |
|
[PGE]D:1769 |
10 |
1 |
321 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
14749 |
137.1 |
3.0 |
0.187 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[SO4]C:1764 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
14165 |
122.6 |
-17.8 |
0.759 |
10 |
0 |
0 |
0.163 |
17 |
18 |
|
[SO4]D:1766 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
14749 |
119.4 |
-19.0 |
0.673 |
9 |
0 |
0 |
0.196 |
18 |
19 |
|
[SO4]B:1765 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14917 |
117.8 |
-17.9 |
0.663 |
5 |
0 |
0 |
0.287 |
19 |
20 |
|
[SO4]A:1763 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
15024 |
116.0 |
-16.4 |
0.773 |
9 |
0 |
0 |
0.291 |
20 |
21 |
|
[SO4]D:1768 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
14749 |
83.0 |
-10.3 |
0.908 |
2 |
0 |
0 |
0.095 |
21 |
22 |
|
[CL]D:1773 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
14749 |
77.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.090 |
22 |
23 |
|
[SO4]D:1764 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
14749 |
76.4 |
-10.4 |
0.846 |
3 |
0 |
0 |
0.100 |
23 |
24 |
|
[ACT]A:1764 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
15024 |
75.2 |
-0.8 |
0.558 |
1 |
0 |
0 |
0.017 |
24 |
25 |
|
[CL]B:1766 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14917 |
74.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.159 |
26 |
|
[CL]D:1772 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
14749 |
67.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
70.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.159 |
25 |
27 |
|
[CL]D:1774 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14749 |
73.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.095 |
26 |
28 |
|
[SO4]D:1767 |
5 |
1 |
185 |
f |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
3 |
13835 |
69.5 |
-8.7 |
0.898 |
2 |
0 |
0 |
0.100 |
27 |
29 |
|
D |
8 |
3 |
14749 |
f |
[SO4]E:1762 |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
1 |
185 |
67.1 |
-9.7 |
0.561 |
3 |
0 |
0 |
0.094 |
28 |
30 |
|
[SO4]D:1764 |
4 |
1 |
184 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
5 |
14917 |
66.3 |
-9.0 |
0.729 |
2 |
0 |
0 |
0.072 |
29 |
31 |
|
[SO4]D:1767 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14749 |
60.3 |
-8.5 |
0.626 |
1 |
0 |
0 |
0.076 |
30 |
32 |
|
[CL]C:1766 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
14165 |
57.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.043 |
31 |
33 |
|
[PGE]D:1769 |
5 |
1 |
321 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
14917 |
48.3 |
-0.3 |
0.115 |
1 |
0 |
0 |
0.011 |
32 |
34 |
|
[SO4]D:1765 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
14749 |
37.9 |
-4.4 |
0.952 |
1 |
0 |
0 |
0.042 |
33 |
35 |
|
[SO4]E:1762 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
13835 |
37.3 |
-3.7 |
0.951 |
1 |
0 |
0 |
0.035 |
34 |
36 |
|
[PGE]D:1770 |
2 |
1 |
339 |
f |
[CL]D:1772 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.019 |
35 |
37 |
|
[ACT]A:1764 |
1 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14165 |
25.2 |
-0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[SO4]D:1766 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
14165 |
18.3 |
-2.0 |
0.876 |
0 |
0 |
0 |
0.015 |
37 |
39 |
|
[CL]D:1774 |
1 |
1 |
125 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
14917 |
9.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
40 |
|
E |
1 |
1 |
13835 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
15024 |
4.7 |
0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[SO4]D:1765 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14165 |
2.5 |
-0.3 |
0.877 |
0 |
0 |
0 |
0.002 |
|