## |
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 |
|
A |
127 |
29 |
12591 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
125 |
29 |
12591 |
1281.7 |
-12.4 |
0.119 |
16 |
6 |
0 |
0.143 |
2 |
|
B |
122 |
29 |
12594 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
122 |
29 |
12594 |
1269.9 |
-12.4 |
0.105 |
16 |
6 |
0 |
0.143 |
Average: |
1275.8 |
-12.4 |
0.112 |
16 |
6 |
0 |
0.143 |
2 |
3 |
|
A |
97 |
29 |
12591 |
◊ |
A |
x,-y,-z |
4_555 |
97 |
29 |
12591 |
855.8 |
-8.9 |
0.185 |
6 |
4 |
0 |
0.009 |
3 |
4 |
|
B |
91 |
23 |
12594 |
◊ |
A |
x,y,z |
1_555 |
94 |
23 |
12591 |
769.7 |
-3.9 |
0.449 |
8 |
0 |
0 |
0.005 |
4 |
5 |
|
A |
36 |
11 |
12591 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
36 |
11 |
12591 |
334.4 |
1.4 |
0.756 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
[HXD]B:302 |
15 |
1 |
449 |
f |
B |
x,y,z |
1_555 |
51 |
19 |
12594 |
279.0 |
3.9 |
0.327 |
6 |
0 |
0 |
0.000 |
7 |
|
[HXD]A:302 |
15 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
12591 |
277.5 |
4.0 |
0.315 |
6 |
0 |
0 |
0.000 |
Average: |
278.2 |
3.9 |
0.321 |
6 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
23 |
9 |
12594 |
◊ |
B |
x,-y+1,-z |
4_565 |
23 |
9 |
12594 |
187.7 |
-1.3 |
0.452 |
0 |
4 |
0 |
0.000 |
7 |
9 |
|
B |
11 |
5 |
12594 |
◊ |
A |
x,-y+1,-z |
4_565 |
9 |
4 |
12591 |
87.8 |
-1.3 |
0.243 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[SO4]A:305 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12591 |
84.7 |
-10.9 |
0.834 |
4 |
0 |
0 |
0.178 |
9 |
11 |
|
[SO4]B:305 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12594 |
84.4 |
-11.0 |
0.894 |
4 |
0 |
0 |
0.178 |
10 |
12 |
|
[SO4]B:307 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12594 |
76.0 |
-11.2 |
0.681 |
2 |
0 |
0 |
0.170 |
11 |
13 |
|
[SO4]A:307 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12591 |
74.3 |
-11.2 |
0.684 |
2 |
0 |
0 |
0.169 |
12 |
14 |
|
[SO4]B:304 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
12594 |
73.2 |
-9.8 |
0.861 |
4 |
0 |
0 |
0.163 |
13 |
15 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12591 |
70.9 |
-9.6 |
0.856 |
3 |
0 |
0 |
0.153 |
14 |
16 |
|
[SO4]A:306 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12591 |
68.6 |
-9.9 |
0.576 |
2 |
0 |
0 |
0.151 |
15 |
17 |
|
[SO4]B:306 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12594 |
66.2 |
-9.6 |
0.606 |
2 |
0 |
0 |
0.147 |
16 |
18 |
|
B |
4 |
3 |
12594 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
4 |
3 |
12591 |
50.2 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12591 |
46.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.116 |
20 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12594 |
45.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
45.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.116 |
18 |
21 |
|
[PER]A:303 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
12591 |
45.1 |
0.9 |
0.788 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[PER]B:303 |
2 |
1 |
124 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12594 |
43.9 |
0.9 |
0.787 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
4 |
2 |
12591 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
12594 |
40.8 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[HXD]B:302 |
5 |
1 |
449 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.046 |
25 |
|
[HXD]A:302 |
5 |
1 |
448 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
37.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
26 |
|
[PER]A:303 |
2 |
1 |
124 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
23 |
27 |
|
[PER]B:303 |
2 |
1 |
124 |
f |
[HXD]B:302 |
x,y,z |
1_555 |
3 |
1 |
449 |
25.5 |
0.6 |
0.408 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[PER]B:303 |
2 |
1 |
124 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.029 |
25 |
29 |
|
[PER]A:303 |
2 |
1 |
124 |
f |
[HXD]A:302 |
x,y,z |
1_555 |
3 |
1 |
448 |
24.6 |
0.6 |
0.399 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
B |
4 |
1 |
12594 |
x |
B |
x-1,y,z |
1_455 |
3 |
1 |
12594 |
22.4 |
0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[SO4]B:304 |
3 |
1 |
187 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
3 |
2 |
12594 |
19.7 |
-2.7 |
0.545 |
0 |
0 |
0 |
0.038 |
28 |
32 |
|
[SO4]A:304 |
3 |
1 |
185 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
12591 |
17.7 |
-2.5 |
0.458 |
0 |
0 |
0 |
0.034 |
29 |
33 |
|
[SO4]A:305 |
1 |
1 |
186 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
12591 |
6.8 |
-0.5 |
0.852 |
0 |
0 |
0 |
0.008 |
30 |
34 |
|
[SO4]B:305 |
1 |
1 |
186 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
12594 |
6.4 |
-0.7 |
0.777 |
0 |
0 |
0 |
0.010 |
|