| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
180 |
42 |
12075 |
◊ |
A |
x,y,z |
1_555 |
193 |
52 |
18069 |
1777.5 |
-6.6 |
0.523 |
31 |
21 |
0 |
0.310 |
2 |
|
B |
166 |
41 |
12075 |
x |
B |
-y+1,x-y+1,z |
2_665 |
142 |
38 |
12075 |
1524.7 |
-16.2 |
0.102 |
15 |
4 |
0 |
0.607 |
3 |
|
A |
146 |
35 |
18069 |
x |
A |
-y+1,x-y+1,z |
2_665 |
142 |
38 |
18069 |
1392.2 |
-11.6 |
0.233 |
23 |
7 |
0 |
0.383 |
4 |
|
A |
63 |
21 |
18069 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
63 |
21 |
18069 |
584.1 |
-12.1 |
0.018 |
0 |
0 |
0 |
0.007 |
5 |
|
B |
25 |
9 |
12075 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
26 |
9 |
12075 |
238.2 |
1.3 |
0.774 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
25 |
11 |
18069 |
◊ |
A |
y,x,-z+1 |
4_556 |
25 |
11 |
18069 |
234.6 |
-2.0 |
0.397 |
2 |
0 |
0 |
0.000 |
7 |
|
[IND]A:1452 |
9 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
18069 |
173.1 |
3.9 |
0.167 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
19 |
5 |
12075 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
19 |
5 |
12075 |
168.5 |
-2.6 |
0.266 |
0 |
0 |
0 |
0.021 |
9 |
|
A |
15 |
7 |
18069 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
23 |
6 |
12075 |
156.8 |
-1.0 |
0.436 |
1 |
0 |
0 |
0.012 |
10 |
|
[FES]A:1455 |
4 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
18069 |
122.0 |
-16.2 |
0.639 |
2 |
0 |
0 |
0.286 |
11 |
|
[EDO]B:1695 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
12075 |
118.9 |
3.8 |
0.644 |
4 |
0 |
0 |
0.000 |
12 |
|
B |
18 |
8 |
12075 |
◊ |
[EDO]G:3 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
184 |
114.3 |
4.1 |
0.495 |
4 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:1450 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
7 |
18069 |
93.7 |
2.4 |
0.279 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:1451 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
18069 |
92.6 |
2.7 |
0.428 |
0 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:1454 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18069 |
91.2 |
-13.5 |
0.849 |
5 |
0 |
0 |
0.263 |
16 |
|
[EDO]A:1448 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
18069 |
88.8 |
2.8 |
0.668 |
5 |
0 |
0 |
0.000 |
17 |
|
[SO4]B:1698 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12075 |
85.9 |
-11.3 |
0.867 |
3 |
0 |
0 |
0.326 |
18 |
|
[EDO]B:1696 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12075 |
76.8 |
1.9 |
0.206 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1449 |
4 |
1 |
184 |
f |
A |
-y+1,x-y+1,z |
2_665 |
12 |
6 |
18069 |
75.8 |
1.9 |
0.236 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:1449 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
18069 |
73.4 |
1.9 |
0.253 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
6 |
2 |
12075 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
11 |
3 |
18069 |
69.6 |
-1.4 |
0.264 |
0 |
0 |
0 |
0.002 |
22 |
|
[SO4]B:1699 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
12075 |
61.5 |
-6.6 |
0.875 |
2 |
0 |
0 |
0.190 |
23 |
|
[SO4]B:1699 |
5 |
1 |
186 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
11 |
6 |
12075 |
60.4 |
-7.0 |
0.863 |
4 |
0 |
0 |
0.223 |
24 |
|
B |
6 |
3 |
12075 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
6 |
2 |
18069 |
57.0 |
0.9 |
0.813 |
1 |
2 |
0 |
0.000 |
25 |
|
[EDO]A:1451 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12075 |
55.3 |
1.4 |
0.871 |
0 |
0 |
0 |
0.000 |
26 |
|
[SO4]B:1699 |
5 |
1 |
186 |
f |
[SO4]B:1699 |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
5 |
1 |
186 |
53.7 |
-11.7 |
0.993 |
0 |
0 |
0 |
0.148 |
27 |
|
[EDO]B:1696 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18069 |
53.5 |
1.2 |
0.239 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
6 |
3 |
12075 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
6 |
2 |
18069 |
52.0 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
29 |
|
[SO4]B:1697 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
12075 |
50.7 |
-6.1 |
0.900 |
2 |
0 |
0 |
0.179 |
30 |
|
[EDO]A:1448 |
4 |
1 |
184 |
f |
A |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
18069 |
50.4 |
0.5 |
0.591 |
1 |
0 |
0 |
0.000 |
31 |
|
[FE]A:1456 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
18069 |
47.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.160 |
32 |
|
[OXY]A:1453 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
18069 |
43.5 |
-0.5 |
0.199 |
2 |
0 |
0 |
0.024 |
33 |
|
[EDO]A:1450 |
2 |
1 |
184 |
f |
A |
-y+1,x-y+1,z |
2_665 |
4 |
2 |
18069 |
38.0 |
0.9 |
0.802 |
1 |
0 |
0 |
0.000 |
34 |
|
[FE]A:1456 |
1 |
1 |
137 |
cf |
[OXY]A:1453 |
x,y,z |
1_555 |
2 |
1 |
124 |
30.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.046 |
35 |
|
[OXY]A:1453 |
2 |
1 |
124 |
f |
[IND]A:1452 |
x,y,z |
1_555 |
4 |
1 |
267 |
27.5 |
1.3 |
0.121 |
0 |
0 |
0 |
0.000 |
36 |
|
[FE]A:1456 |
1 |
1 |
137 |
f |
[IND]A:1452 |
x,y,z |
1_555 |
3 |
1 |
267 |
18.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.018 |
37 |
|
[EDO]G:3 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12075 |
17.4 |
0.6 |
0.967 |
0 |
0 |
0 |
0.000 |
38 |
|
[FES]A:1455 |
3 |
1 |
236 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
18069 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
39 |
|
[SO4]B:1697 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18069 |
3.7 |
-0.3 |
0.928 |
0 |
0 |
0 |
0.004 |
40 |
|
[EDO]B:1695 |
1 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18069 |
3.4 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
1 |
1 |
18069 |
◊ |
[FE]A:1456 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|