| ## |
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 |
|
D |
96 |
25 |
8007 |
◊ |
C |
x,y,z |
1_555 |
95 |
24 |
7870 |
911.1 |
-9.5 |
0.460 |
7 |
0 |
0 |
0.206 |
2 |
|
B |
100 |
27 |
7891 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
7966 |
888.5 |
-10.1 |
0.454 |
5 |
0 |
0 |
0.206 |
| Average: |
899.8 |
-9.8 |
0.457 |
6 |
0 |
0 |
0.206 |
| 2 |
3 |
|
[HEM]A:143 |
43 |
1 |
843 |
f |
A |
x,y,z |
1_555 |
70 |
26 |
7966 |
570.0 |
-19.2 |
0.414 |
1 |
0 |
0 |
0.320 |
4 |
|
[HEM]C:143 |
43 |
1 |
837 |
f |
C |
x,y,z |
1_555 |
66 |
25 |
7870 |
560.0 |
-19.1 |
0.361 |
1 |
0 |
0 |
0.320 |
| Average: |
565.0 |
-19.2 |
0.388 |
1 |
0 |
0 |
0.320 |
| 3 |
5 |
|
[HEM]D:148 |
43 |
1 |
836 |
f |
D |
x,y,z |
1_555 |
66 |
25 |
8007 |
544.7 |
-19.3 |
0.338 |
0 |
0 |
0 |
0.315 |
6 |
|
[HEM]B:148 |
43 |
1 |
793 |
f |
B |
x,y,z |
1_555 |
60 |
25 |
7891 |
537.4 |
-18.9 |
0.324 |
0 |
0 |
0 |
0.315 |
| Average: |
541.1 |
-19.1 |
0.331 |
0 |
0 |
0 |
0.315 |
| 4 |
7 |
|
D |
52 |
12 |
8007 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
7966 |
429.9 |
-2.4 |
0.668 |
4 |
0 |
0 |
0.056 |
8 |
|
B |
51 |
12 |
7891 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
7870 |
406.6 |
-1.9 |
0.717 |
5 |
0 |
0 |
0.056 |
| Average: |
418.2 |
-2.2 |
0.693 |
5 |
0 |
0 |
0.056 |
| 5 |
9 |
|
C |
38 |
12 |
7870 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
7966 |
345.3 |
-1.4 |
0.722 |
2 |
3 |
0 |
0.019 |
| 6 |
10 |
|
A |
32 |
9 |
7966 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
38 |
15 |
7870 |
333.7 |
-1.5 |
0.631 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
31 |
10 |
8007 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
25 |
6 |
7891 |
283.6 |
-3.0 |
0.380 |
1 |
4 |
0 |
0.000 |
| 8 |
12 |
|
D |
25 |
7 |
8007 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
7891 |
245.0 |
0.4 |
0.801 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
22 |
8 |
7966 |
x |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
25 |
11 |
7966 |
228.0 |
-1.4 |
0.512 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
25 |
7 |
7966 |
◊ |
B |
x,y,z-1 |
1_554 |
31 |
7 |
7891 |
215.2 |
-1.5 |
0.596 |
0 |
1 |
0 |
0.000 |
15 |
|
D |
31 |
8 |
8007 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
8 |
7870 |
213.2 |
-2.0 |
0.587 |
0 |
1 |
0 |
0.000 |
| Average: |
214.2 |
-1.7 |
0.592 |
0 |
1 |
0 |
0.000 |
| 11 |
16 |
|
D |
25 |
7 |
8007 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
7 |
7891 |
187.4 |
1.4 |
0.851 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
C |
14 |
5 |
7870 |
x |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
6 |
7870 |
125.2 |
-0.8 |
0.593 |
1 |
2 |
0 |
0.000 |
| 13 |
18 |
|
A |
11 |
5 |
7966 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
10 |
4 |
7891 |
109.1 |
-2.0 |
0.335 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[PO4]C:903 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
7870 |
90.1 |
-4.3 |
0.889 |
3 |
0 |
0 |
0.093 |
| 15 |
20 |
|
[PO4]D:901 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7891 |
82.0 |
-5.2 |
0.669 |
3 |
0 |
0 |
0.098 |
| 16 |
21 |
|
[PO4]A:902 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7966 |
76.5 |
-2.6 |
0.946 |
5 |
0 |
0 |
0.072 |
| 17 |
22 |
|
[PO4]D:901 |
5 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8007 |
76.0 |
-4.0 |
0.862 |
2 |
0 |
0 |
0.032 |
| 18 |
23 |
|
D |
11 |
4 |
8007 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
3 |
7870 |
74.3 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
C |
5 |
2 |
7870 |
◊ |
[HEM]C:143 |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
1 |
837 |
68.9 |
-2.1 |
0.607 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[CMO]B:147 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7891 |
64.0 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.011 |
| 21 |
26 |
|
[CMO]D:147 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
8007 |
63.7 |
-0.1 |
0.795 |
0 |
0 |
0 |
0.001 |
| 22 |
27 |
|
[CMO]C:142 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
7870 |
63.5 |
-0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
D |
8 |
3 |
8007 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
7891 |
62.7 |
-1.6 |
0.309 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[CMO]A:142 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
7966 |
62.4 |
-0.1 |
0.789 |
0 |
0 |
0 |
0.001 |
| 25 |
30 |
|
[PO4]C:903 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
7891 |
61.7 |
-3.5 |
0.640 |
1 |
0 |
0 |
0.027 |
| 26 |
31 |
|
[HEM]D:148 |
4 |
1 |
836 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
7891 |
53.6 |
-2.0 |
0.524 |
1 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[HEM]D:148 |
19 |
1 |
836 |
cf |
[CMO]D:147 |
x,y,z |
1_555 |
2 |
1 |
137 |
44.5 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.032 |
| 28 |
33 |
|
[HEM]B:148 |
17 |
1 |
793 |
cf |
[CMO]B:147 |
x,y,z |
1_555 |
2 |
1 |
137 |
44.5 |
-2.1 |
0.500 |
0 |
0 |
0 |
0.031 |
| 29 |
34 |
|
[HEM]C:143 |
17 |
1 |
837 |
cf |
[CMO]C:142 |
x,y,z |
1_555 |
2 |
1 |
137 |
44.2 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.032 |
| 30 |
35 |
|
[HEM]A:143 |
17 |
1 |
843 |
f |
[CMO]A:142 |
x,y,z |
1_555 |
2 |
1 |
137 |
43.7 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.030 |
| 31 |
36 |
|
D |
2 |
1 |
8007 |
◊ |
[HEM]B:148 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
793 |
41.7 |
-1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
C |
3 |
2 |
7870 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
7891 |
41.3 |
-0.3 |
0.362 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[PO4]A:902 |
3 |
1 |
190 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
3 |
7870 |
39.9 |
-2.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[PO4]A:902 |
4 |
1 |
190 |
◊ |
D |
x,y,z |
1_555 |
9 |
6 |
8007 |
39.3 |
-1.7 |
0.854 |
0 |
0 |
0 |
0.011 |
| 35 |
40 |
|
A |
2 |
1 |
7966 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
7870 |
11.0 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
D |
1 |
1 |
8007 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8007 |
8.2 |
0.2 |
0.861 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
A |
1 |
1 |
7966 |
◊ |
[HEM]C:143 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
837 |
7.4 |
-0.0 |
0.842 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
C |
2 |
1 |
7870 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
7966 |
4.7 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
A |
1 |
1 |
7966 |
◊ |
[PO4]C:903 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
188 |
0.5 |
-0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
|