| ## |
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 |
136 |
30 |
12146 |
◊ |
A |
x,y,z |
1_555 |
137 |
30 |
12140 |
1212.2 |
-7.5 |
0.287 |
25 |
5 |
0 |
0.213 |
2 |
|
D |
135 |
30 |
12105 |
◊ |
C |
x,y,z |
1_555 |
136 |
30 |
12006 |
1180.3 |
-6.8 |
0.334 |
26 |
3 |
0 |
0.213 |
3 |
|
F |
130 |
29 |
11946 |
◊ |
E |
x,y,z |
1_555 |
129 |
29 |
11932 |
1178.4 |
-7.0 |
0.310 |
25 |
6 |
0 |
0.213 |
| Average: |
1190.3 |
-7.1 |
0.310 |
25 |
5 |
0 |
0.213 |
| 2 |
4 |
|
E |
82 |
24 |
11932 |
◊ |
C |
x,y,z |
1_555 |
80 |
25 |
12006 |
746.6 |
-7.5 |
0.182 |
7 |
7 |
0 |
0.129 |
5 |
|
F |
79 |
23 |
11946 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
12140 |
700.8 |
-8.1 |
0.138 |
6 |
7 |
0 |
0.129 |
6 |
|
D |
73 |
22 |
12105 |
◊ |
B |
x,y,z |
1_555 |
77 |
23 |
12146 |
685.8 |
-8.1 |
0.135 |
6 |
7 |
0 |
0.129 |
| Average: |
711.1 |
-7.9 |
0.151 |
6 |
7 |
0 |
0.129 |
| 3 |
7 |
|
F |
38 |
9 |
11946 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
29 |
9 |
12140 |
308.2 |
0.1 |
0.590 |
3 |
3 |
0 |
0.000 |
8 |
|
C |
34 |
8 |
12006 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
32 |
9 |
12105 |
295.7 |
0.1 |
0.607 |
4 |
4 |
0 |
0.000 |
| Average: |
301.9 |
0.1 |
0.598 |
4 |
4 |
0 |
0.000 |
| 4 |
9 |
|
C |
28 |
9 |
12006 |
◊ |
C |
-x,-y,z |
2_555 |
28 |
9 |
12006 |
278.7 |
-0.4 |
0.548 |
4 |
2 |
0 |
0.000 |
10 |
|
F |
24 |
8 |
11946 |
◊ |
B |
-x,-y,z |
2_555 |
25 |
8 |
12146 |
257.1 |
-0.6 |
0.513 |
3 |
2 |
0 |
0.000 |
| Average: |
267.9 |
-0.5 |
0.530 |
4 |
2 |
0 |
0.000 |
| 5 |
11 |
|
A |
22 |
6 |
12140 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
30 |
10 |
12146 |
227.8 |
2.4 |
0.810 |
3 |
5 |
0 |
0.000 |
12 |
|
E |
14 |
5 |
11932 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
3_456 |
18 |
7 |
12006 |
125.1 |
1.3 |
0.749 |
2 |
2 |
0 |
0.000 |
| Average: |
176.4 |
1.8 |
0.780 |
3 |
4 |
0 |
0.000 |
| 6 |
13 |
|
E |
18 |
8 |
11932 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
5 |
12105 |
172.4 |
-1.1 |
0.434 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
E |
15 |
6 |
11932 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
10 |
5 |
12105 |
83.9 |
1.1 |
0.741 |
1 |
1 |
0 |
0.000 |
| 8 |
15 |
|
[FE]E:301 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
10 |
9 |
11932 |
59.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.213 |
16 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
12140 |
58.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.213 |
17 |
|
[FE]F:301 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
13 |
11 |
11946 |
57.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.213 |
18 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
9 |
12146 |
57.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.213 |
19 |
|
[FE]D:301 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
9 |
12105 |
56.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.213 |
20 |
|
[FE]C:301 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
8 |
7 |
12006 |
56.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
57.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.213 |
| 9 |
21 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
11932 |
58.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.142 |
22 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12140 |
55.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.142 |
23 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12006 |
55.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.142 |
24 |
|
[CL]F:303 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
11946 |
54.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.142 |
25 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12146 |
54.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.142 |
26 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12105 |
53.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
55.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.142 |
| 10 |
27 |
|
F |
5 |
2 |
11946 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
1 |
12146 |
48.8 |
0.5 |
0.621 |
0 |
1 |
0 |
0.000 |
| 11 |
28 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12140 |
47.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.174 |
29 |
|
[FE]E:302 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
11932 |
47.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.174 |
30 |
|
[FE]D:302 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
12105 |
47.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.174 |
31 |
|
[FE]C:302 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
12006 |
47.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.174 |
32 |
|
[FE]F:302 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
11946 |
46.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.174 |
33 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12146 |
46.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.174 |
| Average: |
47.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.174 |
| 12 |
34 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[FE]B:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| 13 |
35 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 14 |
36 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
[FE]C:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| 15 |
37 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
[FE]D:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.053 |
| 16 |
38 |
|
[CL]F:303 |
1 |
1 |
125 |
f |
[FE]F:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.053 |
| 17 |
39 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
[FE]E:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.052 |
| 18 |
40 |
|
[FE]D:302 |
1 |
1 |
137 |
f |
[FE]D:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| 19 |
41 |
|
[FE]F:302 |
1 |
1 |
137 |
f |
[FE]F:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.049 |
| 20 |
42 |
|
[FE]C:302 |
1 |
1 |
137 |
f |
[FE]C:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 21 |
43 |
|
[CL]D:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12146 |
22.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.048 |
44 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11932 |
22.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.048 |
45 |
|
[CL]E:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12006 |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.048 |
46 |
|
[CL]F:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12140 |
20.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.048 |
47 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11946 |
20.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.048 |
48 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12105 |
20.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
21.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| 22 |
49 |
|
[FE]B:302 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12105 |
21.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
50 |
|
[FE]F:302 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12140 |
21.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
51 |
|
[FE]E:302 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12006 |
21.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
52 |
|
[FE]A:301 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
11946 |
21.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
53 |
|
[FE]D:302 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12146 |
21.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.052 |
54 |
|
[FE]C:302 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
11932 |
20.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
21.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| 23 |
55 |
|
A |
4 |
2 |
12140 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
4 |
1 |
12140 |
21.2 |
0.7 |
0.764 |
0 |
0 |
0 |
0.000 |
| 24 |
56 |
|
[FE]E:302 |
1 |
1 |
137 |
f |
[FE]E:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 25 |
57 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 26 |
58 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 27 |
59 |
|
[CL]F:303 |
1 |
1 |
125 |
f |
[FE]F:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 28 |
60 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
15.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.033 |
| 29 |
61 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
[FE]D:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| 30 |
62 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[FE]A:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 31 |
63 |
|
[CL]E:303 |
1 |
1 |
125 |
f |
[FE]E:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 32 |
64 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
[FE]C:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
|