## |
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 |
|
I |
86 |
16 |
2338 |
◊ |
A |
x,y,z |
1_555 |
122 |
41 |
16263 |
1021.1 |
-7.4 |
0.619 |
14 |
1 |
0 |
0.435 |
2 |
2 |
|
J |
74 |
13 |
1861 |
◊ |
B |
x,y,z |
1_555 |
120 |
40 |
15830 |
921.2 |
-5.1 |
0.725 |
10 |
2 |
0 |
0.360 |
3 |
3 |
|
B |
52 |
17 |
15830 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
16263 |
450.2 |
-6.6 |
0.126 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
53 |
16 |
16263 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
58 |
14 |
15830 |
440.5 |
-0.8 |
0.612 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
31 |
7 |
15830 |
◊ |
A |
-x,-y,z |
2_555 |
35 |
9 |
16263 |
291.2 |
-1.5 |
0.478 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
25 |
9 |
16263 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
5 |
15830 |
197.4 |
2.3 |
0.828 |
3 |
5 |
0 |
0.000 |
7 |
7 |
|
I |
20 |
7 |
2338 |
◊ |
B |
-x,-y,z |
2_555 |
19 |
6 |
15830 |
178.5 |
-0.8 |
0.691 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
I |
19 |
3 |
2338 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
15830 |
167.5 |
-0.1 |
0.733 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
14 |
4 |
16263 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
19 |
3 |
15830 |
146.6 |
-2.0 |
0.291 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[OGA]B:402 |
10 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
36 |
12 |
15830 |
145.9 |
-0.2 |
0.380 |
6 |
0 |
0 |
0.106 |
11 |
|
[OGA]A:401 |
10 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
16263 |
145.6 |
-0.1 |
0.385 |
7 |
0 |
0 |
0.106 |
Average: |
145.8 |
-0.2 |
0.383 |
7 |
0 |
0 |
0.106 |
11 |
12 |
|
A |
8 |
2 |
16263 |
◊ |
A |
-x-1,-y,z |
2_455 |
8 |
2 |
16263 |
73.7 |
1.0 |
0.810 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
J |
7 |
2 |
1861 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
2338 |
66.1 |
-1.7 |
0.464 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
A |
8 |
2 |
16263 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
1 |
15830 |
55.9 |
-1.6 |
0.175 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
7 |
4 |
15830 |
◊ |
B |
-x,-y,z |
2_555 |
7 |
4 |
15830 |
50.6 |
1.1 |
0.825 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
A |
4 |
2 |
16263 |
x |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
7 |
2 |
16263 |
44.7 |
-0.3 |
0.533 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[OXY]A:501 |
2 |
1 |
116 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16263 |
43.2 |
1.2 |
0.890 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[FE]B:352 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15830 |
42.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.266 |
19 |
|
[FE]A:352 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
16263 |
39.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.266 |
Average: |
40.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.266 |
18 |
20 |
|
[OXY]B:503 |
2 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
15830 |
35.6 |
0.8 |
0.798 |
2 |
0 |
0 |
0.005 |
19 |
21 |
|
[OGA]B:402 |
4 |
1 |
283 |
f |
[FE]B:352 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.140 |
22 |
|
[OGA]A:401 |
4 |
1 |
285 |
f |
[FE]A:352 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
32.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.140 |
20 |
23 |
|
[OXY]A:502 |
2 |
1 |
116 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16263 |
31.7 |
0.7 |
0.805 |
2 |
0 |
0 |
0.007 |
21 |
24 |
|
[OGA]B:402 |
8 |
1 |
283 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
1861 |
28.9 |
0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[OGA]A:401 |
8 |
1 |
285 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
2338 |
28.7 |
0.0 |
0.277 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[OXY]B:503 |
2 |
1 |
117 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1861 |
25.6 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.005 |
24 |
27 |
|
[OXY]B:503 |
2 |
1 |
117 |
f |
[OGA]B:402 |
x,y,z |
1_555 |
5 |
1 |
283 |
24.3 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[OXY]A:502 |
2 |
1 |
116 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2338 |
22.5 |
-0.1 |
0.644 |
0 |
0 |
0 |
0.004 |
26 |
29 |
|
[OXY]B:503 |
2 |
1 |
117 |
f |
[FE]B:352 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.073 |
30 |
|
[OXY]A:501 |
2 |
1 |
116 |
f |
[FE]A:352 |
x,y,z |
1_555 |
1 |
1 |
137 |
10.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
16.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.073 |
27 |
31 |
|
[OXY]A:502 |
2 |
1 |
116 |
f |
[OGA]A:401 |
x,y,z |
1_555 |
5 |
1 |
285 |
21.8 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[OXY]A:501 |
2 |
1 |
116 |
◊ |
I |
x,y,z |
1_555 |
5 |
1 |
2338 |
21.0 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.002 |
29 |
33 |
|
[OXY]A:502 |
2 |
1 |
116 |
f |
[FE]A:352 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.060 |
30 |
34 |
|
[OXY]A:502 |
2 |
1 |
116 |
f |
[OXY]A:501 |
x,y,z |
1_555 |
2 |
1 |
116 |
16.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[FE]B:352 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1861 |
13.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.054 |
32 |
36 |
|
[FE]A:352 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2338 |
12.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.041 |
33 |
37 |
|
J |
1 |
1 |
1861 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16263 |
3.4 |
-0.1 |
0.465 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[OXY]A:501 |
1 |
1 |
116 |
f |
[OGA]A:401 |
x,y,z |
1_555 |
3 |
1 |
285 |
2.7 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.002 |
|