## |
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 |
|
C |
54 |
17 |
9388 |
x |
A |
y,x,-z+1 |
7_556 |
50 |
18 |
9173 |
500.4 |
-4.2 |
0.451 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
40 |
10 |
9335 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
38 |
12 |
9335 |
391.2 |
-5.0 |
0.519 |
5 |
0 |
0 |
0.000 |
Average: |
445.8 |
-4.6 |
0.485 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
[1OD]A:206 |
39 |
1 |
747 |
f |
A |
x,y,z |
1_555 |
64 |
21 |
9173 |
445.0 |
-1.3 |
0.772 |
5 |
0 |
0 |
0.008 |
4 |
|
[1OD]C:207 |
38 |
1 |
740 |
f |
C |
x,y,z |
1_555 |
73 |
22 |
9388 |
444.6 |
-0.7 |
0.783 |
4 |
0 |
0 |
0.008 |
Average: |
444.8 |
-1.0 |
0.777 |
5 |
0 |
0 |
0.008 |
3 |
5 |
|
A |
51 |
12 |
9173 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
49 |
14 |
9388 |
435.1 |
-5.0 |
0.382 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
[1OD]B:202 |
36 |
1 |
744 |
f |
B |
x,y,z |
1_555 |
64 |
18 |
9335 |
427.8 |
-0.6 |
0.832 |
4 |
0 |
0 |
0.016 |
5 |
7 |
|
A |
42 |
18 |
9173 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
41 |
17 |
9335 |
418.3 |
-5.5 |
0.370 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
34 |
10 |
9388 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
9173 |
367.2 |
0.9 |
0.809 |
7 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
39 |
16 |
9388 |
◊ |
C |
y,x,-z+1 |
7_556 |
39 |
16 |
9388 |
320.1 |
-2.5 |
0.577 |
8 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
32 |
9 |
9388 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
20 |
7 |
9335 |
218.3 |
-0.9 |
0.677 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
29 |
10 |
9388 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
28 |
9 |
9388 |
206.7 |
-2.9 |
0.434 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
26 |
8 |
9335 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
15 |
5 |
9173 |
147.4 |
1.0 |
0.897 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9388 |
86.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.030 |
14 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9335 |
65.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.030 |
15 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9173 |
60.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
71.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.030 |
12 |
16 |
|
[GOL]A:205 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9173 |
84.8 |
0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9388 |
82.5 |
-12.3 |
0.753 |
2 |
0 |
0 |
0.025 |
14 |
18 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9173 |
75.1 |
-10.9 |
0.813 |
2 |
0 |
0 |
0.026 |
15 |
19 |
|
[GOL]A:202 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9173 |
72.9 |
-0.5 |
0.537 |
3 |
0 |
0 |
0.004 |
16 |
20 |
|
[1OD]A:206 |
15 |
1 |
747 |
f |
[SO4]A:203 |
x,y,z |
1_555 |
5 |
1 |
185 |
67.4 |
-9.5 |
0.773 |
0 |
0 |
0 |
0.021 |
17 |
21 |
|
[GOL]C:206 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9388 |
65.7 |
-0.9 |
0.447 |
1 |
0 |
0 |
0.003 |
18 |
22 |
|
[1OD]C:207 |
15 |
1 |
740 |
f |
[SO4]C:202 |
x,y,z |
1_555 |
4 |
1 |
184 |
63.6 |
-8.3 |
0.798 |
0 |
0 |
0 |
0.016 |
19 |
23 |
|
B |
7 |
4 |
9335 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9173 |
57.2 |
-1.0 |
0.436 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[NA]C:205 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9388 |
46.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.011 |
21 |
25 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9388 |
45.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.010 |
22 |
26 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9173 |
45.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.011 |
23 |
27 |
|
[1OD]B:202 |
3 |
1 |
744 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.054 |
28 |
|
[1OD]A:206 |
3 |
1 |
747 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
39.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.054 |
24 |
29 |
|
[GOL]C:206 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9173 |
40.0 |
0.7 |
0.739 |
3 |
0 |
0 |
0.000 |
25 |
30 |
|
[NA]C:204 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9388 |
39.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.009 |
26 |
31 |
|
[GOL]A:205 |
3 |
1 |
219 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
9388 |
31.9 |
0.3 |
0.624 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[CL]C:203 |
1 |
1 |
125 |
◊ |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
9173 |
23.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[GOL]C:206 |
2 |
1 |
221 |
◊ |
[GOL]A:202 |
x,y,z |
1_555 |
3 |
1 |
219 |
18.4 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[SO4]A:203 |
3 |
1 |
185 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
9.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.005 |
30 |
35 |
|
[SO4]C:202 |
3 |
1 |
184 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
31 |
36 |
|
[GOL]A:202 |
2 |
1 |
219 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
9335 |
1.9 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
|