## |
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 |
80 |
21 |
9163 |
◊ |
A |
x,-y,-z |
4_555 |
75 |
20 |
9323 |
738.8 |
-1.0 |
0.648 |
1 |
0 |
0 |
0.000 |
2 |
2 |
|
D |
68 |
16 |
8722 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
9163 |
499.1 |
-3.0 |
0.519 |
4 |
7 |
0 |
0.000 |
3 |
|
C |
62 |
15 |
8765 |
◊ |
A |
x,y,z |
1_555 |
61 |
14 |
9323 |
483.2 |
-2.9 |
0.534 |
5 |
7 |
0 |
0.000 |
Average: |
491.2 |
-2.9 |
0.527 |
5 |
7 |
0 |
0.000 |
3 |
4 |
|
B |
53 |
18 |
9163 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
9323 |
472.4 |
-0.9 |
0.617 |
1 |
0 |
0 |
0.015 |
4 |
5 |
|
B |
39 |
11 |
9163 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
39 |
8 |
8765 |
344.5 |
0.7 |
0.760 |
7 |
8 |
0 |
0.000 |
6 |
|
D |
38 |
9 |
8722 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
37 |
10 |
9323 |
328.6 |
0.2 |
0.727 |
8 |
7 |
0 |
0.000 |
Average: |
336.5 |
0.4 |
0.744 |
8 |
8 |
0 |
0.000 |
5 |
7 |
|
D |
38 |
14 |
8722 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
32 |
12 |
9163 |
291.3 |
-5.5 |
0.128 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
29 |
12 |
9323 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
33 |
11 |
8765 |
278.1 |
-5.3 |
0.122 |
1 |
0 |
0 |
0.000 |
Average: |
284.7 |
-5.4 |
0.125 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
31 |
10 |
8765 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
32 |
10 |
9163 |
259.2 |
1.0 |
0.774 |
3 |
4 |
0 |
0.000 |
10 |
|
A |
32 |
10 |
9323 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
32 |
10 |
8722 |
256.9 |
1.5 |
0.825 |
4 |
4 |
0 |
0.000 |
Average: |
258.0 |
1.2 |
0.799 |
4 |
4 |
0 |
0.000 |
7 |
11 |
|
C |
27 |
10 |
8765 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
25 |
7 |
9163 |
218.3 |
1.5 |
0.790 |
6 |
6 |
0 |
0.000 |
12 |
|
A |
25 |
7 |
9323 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
25 |
10 |
8722 |
216.5 |
1.5 |
0.785 |
6 |
6 |
0 |
0.000 |
Average: |
217.4 |
1.5 |
0.788 |
6 |
6 |
0 |
0.000 |
8 |
13 |
|
[KVP]C:203 |
10 |
1 |
327 |
f |
C |
x,y,z |
1_555 |
34 |
16 |
8765 |
195.6 |
6.4 |
0.627 |
10 |
0 |
0 |
0.000 |
9 |
14 |
|
[KVP]D:203 |
10 |
1 |
327 |
f |
D |
x,y,z |
1_555 |
34 |
16 |
8722 |
194.1 |
6.3 |
0.659 |
10 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
14 |
6 |
8722 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
8765 |
104.3 |
-0.3 |
0.615 |
1 |
1 |
0 |
0.000 |
11 |
16 |
|
A |
12 |
3 |
9323 |
◊ |
A |
x,-y,-z |
4_555 |
12 |
3 |
9323 |
93.8 |
2.0 |
0.880 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
12 |
5 |
8765 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
11 |
5 |
8765 |
73.9 |
0.4 |
0.740 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
11 |
6 |
8722 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
11 |
6 |
8722 |
51.6 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
Average: |
62.8 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
B |
6 |
2 |
9163 |
◊ |
B |
x,-y,-z |
4_555 |
6 |
2 |
9163 |
66.8 |
1.5 |
0.888 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[FE2]B:204 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
9163 |
66.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.289 |
21 |
|
[FE2]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
9323 |
65.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.289 |
22 |
|
[FE2]D:202 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
8722 |
49.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.289 |
23 |
|
[FE2]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
8765 |
49.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.289 |
Average: |
57.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.289 |
15 |
24 |
|
D |
9 |
3 |
8722 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
10 |
3 |
8765 |
63.2 |
-0.7 |
0.506 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
D |
5 |
2 |
8722 |
◊ |
D |
x,-y+1,-z |
4_565 |
5 |
2 |
8722 |
63.1 |
1.3 |
0.901 |
2 |
2 |
0 |
0.000 |
17 |
26 |
|
D |
6 |
3 |
8722 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
9 |
2 |
9163 |
61.2 |
1.0 |
0.617 |
0 |
1 |
0 |
0.000 |
18 |
27 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
9163 |
57.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.271 |
28 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
9323 |
57.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.271 |
29 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
8722 |
48.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.271 |
30 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
8765 |
48.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.271 |
Average: |
53.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.271 |
19 |
31 |
|
[FE]B:202 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
9323 |
48.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.057 |
20 |
32 |
|
[FE]B:203 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9163 |
48.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.066 |
21 |
33 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9163 |
45.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.124 |
34 |
|
[FE]B:203 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9323 |
41.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
43.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.124 |
22 |
35 |
|
[KVP]D:203 |
5 |
1 |
327 |
f |
[FE2]D:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.012 |
23 |
36 |
|
[KVP]C:203 |
5 |
1 |
327 |
f |
[FE2]C:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
37 |
|
[FE2]B:204 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.062 |
25 |
38 |
|
[FE2]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.061 |
26 |
39 |
|
[FE]B:203 |
1 |
1 |
137 |
◊ |
[FE]B:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.053 |
27 |
40 |
|
[KVP]D:203 |
6 |
1 |
327 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
41 |
|
[KVP]C:203 |
6 |
1 |
327 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
29 |
42 |
|
[FE2]C:202 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
43 |
|
[FE2]D:202 |
1 |
1 |
137 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
44 |
|
A |
4 |
2 |
9323 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
5 |
2 |
8765 |
13.5 |
0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
|