## |
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 |
98 |
23 |
8762 |
◊ |
A |
x,y,z |
1_555 |
98 |
23 |
8761 |
903.9 |
-9.2 |
0.190 |
14 |
12 |
0 |
0.185 |
2 |
|
D |
94 |
23 |
8759 |
◊ |
C |
x,y,z |
1_555 |
95 |
23 |
8750 |
894.1 |
-9.2 |
0.184 |
14 |
12 |
0 |
0.185 |
3 |
|
F |
96 |
23 |
8759 |
◊ |
E |
x,y,z |
1_555 |
96 |
23 |
8750 |
889.6 |
-9.4 |
0.179 |
14 |
11 |
0 |
0.185 |
4 |
|
H |
96 |
23 |
8768 |
◊ |
G |
x,y,z |
1_555 |
94 |
23 |
8765 |
888.5 |
-9.2 |
0.189 |
14 |
12 |
0 |
0.185 |
Average: |
894.0 |
-9.3 |
0.186 |
14 |
12 |
0 |
0.185 |
2 |
5 |
|
B |
56 |
13 |
8762 |
◊ |
C |
-z,x+1/2,-y+1/2 |
8_555 |
56 |
19 |
8750 |
555.5 |
0.4 |
0.723 |
8 |
2 |
0 |
0.054 |
6 |
|
H |
57 |
14 |
8768 |
◊ |
A |
x,y,z |
1_555 |
58 |
19 |
8761 |
554.3 |
0.6 |
0.734 |
7 |
2 |
0 |
0.054 |
7 |
|
E |
57 |
14 |
8750 |
◊ |
D |
x,y,z |
1_555 |
58 |
17 |
8759 |
547.2 |
0.8 |
0.750 |
8 |
2 |
0 |
0.054 |
8 |
|
G |
57 |
18 |
8765 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
56 |
14 |
8759 |
546.7 |
0.6 |
0.736 |
8 |
2 |
0 |
0.054 |
9 |
|
G |
58 |
13 |
8765 |
◊ |
F |
x,y,z |
1_555 |
58 |
19 |
8759 |
545.6 |
0.5 |
0.732 |
8 |
2 |
0 |
0.054 |
10 |
|
F |
55 |
13 |
8759 |
◊ |
E |
-z,x+1/2,-y+1/2 |
8_555 |
55 |
18 |
8750 |
539.3 |
0.6 |
0.732 |
8 |
2 |
0 |
0.054 |
11 |
|
H |
58 |
17 |
8768 |
◊ |
C |
x,y,z |
1_555 |
56 |
14 |
8750 |
536.2 |
0.5 |
0.724 |
8 |
2 |
0 |
0.054 |
12 |
|
B |
54 |
17 |
8762 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
55 |
13 |
8761 |
522.0 |
0.4 |
0.720 |
8 |
1 |
0 |
0.054 |
Average: |
543.3 |
0.5 |
0.731 |
8 |
2 |
0 |
0.054 |
3 |
13 |
|
H |
56 |
16 |
8768 |
x |
D |
x,y,z |
1_555 |
60 |
15 |
8759 |
545.9 |
-5.6 |
0.189 |
7 |
9 |
0 |
0.270 |
14 |
|
G |
58 |
14 |
8765 |
x |
A |
x,y,z |
1_555 |
57 |
16 |
8761 |
540.1 |
-5.6 |
0.180 |
8 |
9 |
0 |
0.270 |
15 |
|
F |
59 |
14 |
8759 |
x |
D |
x,y,z |
1_555 |
56 |
16 |
8759 |
539.0 |
-5.0 |
0.205 |
7 |
10 |
0 |
0.270 |
16 |
|
H |
60 |
15 |
8768 |
x |
F |
x,y,z |
1_555 |
53 |
16 |
8759 |
538.6 |
-5.7 |
0.188 |
8 |
10 |
0 |
0.270 |
17 |
|
G |
57 |
16 |
8765 |
x |
C |
-z,x+1/2,-y+1/2 |
8_555 |
59 |
14 |
8750 |
537.7 |
-5.7 |
0.179 |
7 |
9 |
0 |
0.270 |
18 |
|
B |
53 |
16 |
8762 |
x |
B |
-z,x+1/2,-y+1/2 |
8_555 |
60 |
15 |
8762 |
537.5 |
-4.4 |
0.223 |
7 |
9 |
0 |
0.270 |
19 |
|
E |
58 |
14 |
8750 |
x |
E |
-z,x+1/2,-y+1/2 |
8_555 |
52 |
16 |
8750 |
536.8 |
-5.5 |
0.179 |
7 |
10 |
0 |
0.270 |
20 |
|
A |
58 |
14 |
8761 |
x |
C |
-z,x+1/2,-y+1/2 |
8_555 |
53 |
16 |
8750 |
526.7 |
-5.5 |
0.180 |
7 |
9 |
0 |
0.270 |
Average: |
537.8 |
-5.4 |
0.190 |
7 |
9 |
0 |
0.270 |
4 |
21 |
|
C |
38 |
12 |
8750 |
◊ |
B |
z+1/2,-x+1/2,-y+1 |
6_556 |
39 |
13 |
8762 |
340.9 |
4.0 |
0.883 |
4 |
2 |
0 |
0.000 |
5 |
22 |
|
[HEM]A:200 |
38 |
1 |
852 |
f |
A |
x,y,z |
1_555 |
41 |
13 |
8761 |
338.2 |
-10.9 |
0.276 |
0 |
0 |
0 |
0.224 |
23 |
|
[HEM]G:200 |
38 |
1 |
843 |
f |
G |
x,y,z |
1_555 |
38 |
13 |
8765 |
337.9 |
-10.8 |
0.257 |
0 |
0 |
0 |
0.224 |
24 |
|
[HEM]C:200 |
38 |
1 |
836 |
f |
C |
x,y,z |
1_555 |
39 |
13 |
8750 |
335.9 |
-10.7 |
0.269 |
0 |
0 |
0 |
0.224 |
25 |
|
[HEM]E:200 |
37 |
1 |
846 |
f |
F |
x,y,z |
1_555 |
39 |
13 |
8759 |
334.6 |
-10.7 |
0.263 |
0 |
0 |
0 |
0.224 |
Average: |
336.7 |
-10.8 |
0.266 |
0 |
0 |
0 |
0.224 |
6 |
26 |
|
E |
42 |
14 |
8750 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
9 |
8765 |
337.1 |
0.5 |
0.652 |
2 |
5 |
0 |
0.000 |
7 |
27 |
|
[HEM]A:200 |
39 |
1 |
852 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
8762 |
333.6 |
-10.7 |
0.261 |
0 |
0 |
0 |
0.114 |
28 |
|
[HEM]E:200 |
38 |
1 |
846 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
8750 |
332.9 |
-10.6 |
0.248 |
0 |
0 |
0 |
0.114 |
29 |
|
[HEM]C:200 |
38 |
1 |
836 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
8759 |
327.8 |
-10.4 |
0.248 |
0 |
0 |
0 |
0.114 |
30 |
|
[HEM]G:200 |
39 |
1 |
843 |
◊ |
H |
x,y,z |
1_555 |
40 |
13 |
8768 |
324.2 |
-10.2 |
0.258 |
0 |
0 |
0 |
0.114 |
Average: |
329.6 |
-10.5 |
0.254 |
0 |
0 |
0 |
0.114 |
8 |
31 |
|
E |
17 |
6 |
8750 |
◊ |
H |
z-1/2,-x+1/2,-y+1 |
6_456 |
32 |
11 |
8768 |
261.7 |
0.6 |
0.720 |
3 |
1 |
0 |
0.000 |
9 |
32 |
|
B |
17 |
5 |
8762 |
◊ |
D |
-z+1/2,-x+1,y-1/2 |
7_564 |
21 |
7 |
8759 |
169.2 |
0.9 |
0.740 |
1 |
0 |
0 |
0.000 |
10 |
33 |
|
A |
13 |
5 |
8761 |
◊ |
D |
-z+1/2,-x+1,y-1/2 |
7_564 |
11 |
5 |
8759 |
101.7 |
1.0 |
0.768 |
0 |
0 |
0 |
0.000 |
11 |
34 |
|
D |
13 |
3 |
8759 |
◊ |
B |
z+1/2,-x+1/2,-y+1 |
6_556 |
11 |
3 |
8762 |
91.0 |
0.2 |
0.669 |
1 |
0 |
0 |
0.000 |
12 |
35 |
|
E |
9 |
3 |
8750 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
8768 |
87.4 |
0.6 |
0.730 |
1 |
0 |
0 |
0.000 |
13 |
36 |
|
F |
9 |
4 |
8759 |
◊ |
H |
z-1/2,-x+1/2,-y+1 |
6_456 |
12 |
4 |
8768 |
71.7 |
0.9 |
0.734 |
0 |
0 |
0 |
0.000 |
14 |
37 |
|
[FE]B:302 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
8762 |
58.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.308 |
38 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8761 |
58.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.308 |
39 |
|
[FE]E:302 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
4 |
3 |
8750 |
57.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.308 |
40 |
|
[FE]H:302 |
1 |
1 |
137 |
cf |
H |
x,y,z |
1_555 |
5 |
3 |
8768 |
57.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.308 |
41 |
|
[FE]D:302 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
8759 |
57.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.308 |
42 |
|
[FE]F:302 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
8759 |
57.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.308 |
43 |
|
[FE]G:302 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
3 |
2 |
8765 |
56.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.308 |
44 |
|
[FE]C:302 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
8750 |
56.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.308 |
Average: |
57.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.308 |
15 |
45 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
8761 |
57.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.306 |
46 |
|
[FE]E:301 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
8750 |
57.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.306 |
47 |
|
[FE]H:301 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
3 |
3 |
8768 |
56.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.306 |
48 |
|
[FE]D:301 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
8759 |
56.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.306 |
49 |
|
[FE]F:301 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
8759 |
56.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.306 |
50 |
|
[FE]C:301 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
8750 |
56.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.306 |
51 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
8762 |
56.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.306 |
52 |
|
[FE]G:301 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
1 |
1 |
8765 |
56.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.306 |
Average: |
56.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.306 |
16 |
53 |
|
F |
7 |
2 |
8759 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
6 |
2 |
8759 |
38.2 |
0.9 |
0.806 |
0 |
0 |
0 |
0.000 |
54 |
|
G |
6 |
2 |
8765 |
◊ |
E |
-z,x+1/2,-y+1/2 |
8_555 |
6 |
2 |
8750 |
35.0 |
0.8 |
0.797 |
0 |
0 |
0 |
0.000 |
55 |
|
B |
6 |
2 |
8762 |
◊ |
H |
-z,x+1/2,-y+1/2 |
8_555 |
6 |
2 |
8768 |
33.2 |
0.8 |
0.794 |
0 |
0 |
0 |
0.000 |
56 |
|
C |
4 |
2 |
8750 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8761 |
25.5 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
Average: |
33.0 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
17 |
57 |
|
[FE]C:302 |
1 |
1 |
137 |
f |
[FE]C:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.056 |
18 |
58 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.142 |
19 |
59 |
|
[FE]G:302 |
1 |
1 |
137 |
f |
[FE]G:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.053 |
20 |
60 |
|
[FE]D:302 |
1 |
1 |
137 |
f |
[FE]D:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.052 |
21 |
61 |
|
[FE]F:302 |
1 |
1 |
137 |
f |
[FE]F:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.052 |
22 |
62 |
|
[FE]H:302 |
1 |
1 |
137 |
f |
[FE]H:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.051 |
23 |
63 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.049 |
24 |
64 |
|
[FE]E:302 |
1 |
1 |
137 |
f |
[FE]E:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.123 |
25 |
65 |
|
B |
4 |
2 |
8762 |
◊ |
C |
-z+1/2,-x+1,y-1/2 |
7_564 |
3 |
1 |
8750 |
17.3 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
26 |
66 |
|
F |
1 |
1 |
8759 |
◊ |
G |
z-1/2,-x+1/2,-y+1 |
6_456 |
2 |
1 |
8765 |
12.4 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
|