## |
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 |
|
C |
73 |
18 |
20138 |
◊ |
B |
x,y,z |
1_555 |
86 |
27 |
19881 |
729.4 |
0.9 |
0.842 |
2 |
5 |
0 |
0.000 |
2 |
|
B |
66 |
18 |
19881 |
◊ |
A |
x,y,z |
1_555 |
69 |
21 |
19641 |
605.4 |
0.7 |
0.841 |
5 |
6 |
0 |
0.000 |
3 |
|
C |
54 |
17 |
20138 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
19641 |
459.7 |
-0.1 |
0.752 |
3 |
8 |
0 |
0.000 |
Average: |
598.2 |
0.5 |
0.812 |
3 |
6 |
0 |
0.000 |
2 |
4 |
|
A |
73 |
21 |
19641 |
◊ |
A |
-x,y,-z+1 |
2_556 |
73 |
21 |
19641 |
696.9 |
-11.4 |
0.093 |
0 |
0 |
0 |
0.122 |
5 |
|
C |
68 |
20 |
20138 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
69 |
20 |
19881 |
690.0 |
-11.5 |
0.061 |
0 |
0 |
0 |
0.122 |
Average: |
693.5 |
-11.5 |
0.077 |
0 |
0 |
0 |
0.122 |
3 |
6 |
|
[HEM]B:602 |
43 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
86 |
37 |
19881 |
595.0 |
-19.4 |
0.614 |
9 |
0 |
0 |
0.500 |
7 |
|
[HEM]C:602 |
43 |
1 |
819 |
f |
C |
x,y,z |
1_555 |
90 |
37 |
20138 |
594.6 |
-20.5 |
0.503 |
8 |
0 |
0 |
0.500 |
8 |
|
[HEM]A:603 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
84 |
36 |
19641 |
587.0 |
-19.3 |
0.601 |
8 |
0 |
0 |
0.500 |
Average: |
592.2 |
-19.7 |
0.573 |
8 |
0 |
0 |
0.500 |
4 |
9 |
|
C |
43 |
11 |
20138 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
40 |
12 |
19881 |
377.7 |
0.5 |
0.563 |
8 |
1 |
0 |
0.000 |
5 |
10 |
|
C |
35 |
10 |
20138 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
35 |
11 |
19881 |
376.8 |
-6.9 |
0.076 |
2 |
0 |
0 |
0.122 |
11 |
|
A |
40 |
14 |
19641 |
◊ |
B |
x,y-1,z |
1_545 |
38 |
10 |
19881 |
354.1 |
-3.6 |
0.384 |
2 |
4 |
0 |
0.122 |
12 |
|
C |
34 |
10 |
20138 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
29 |
10 |
19641 |
302.4 |
-3.8 |
0.271 |
1 |
0 |
0 |
0.122 |
Average: |
344.5 |
-4.8 |
0.244 |
2 |
1 |
0 |
0.122 |
6 |
13 |
|
[STR]B:603 |
21 |
1 |
491 |
f |
B |
x,y,z |
1_555 |
50 |
19 |
19881 |
327.8 |
2.6 |
0.242 |
1 |
0 |
0 |
0.000 |
14 |
|
[STR]C:603 |
21 |
1 |
488 |
f |
C |
x,y,z |
1_555 |
49 |
20 |
20138 |
325.2 |
2.9 |
0.280 |
1 |
0 |
0 |
0.000 |
15 |
|
[STR]A:604 |
21 |
1 |
489 |
f |
A |
x,y,z |
1_555 |
50 |
19 |
19641 |
321.7 |
2.9 |
0.286 |
1 |
0 |
0 |
0.000 |
Average: |
324.9 |
2.8 |
0.269 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
A |
31 |
10 |
19641 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
35 |
9 |
20138 |
293.5 |
0.4 |
0.759 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
B |
19 |
7 |
19881 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
19 |
7 |
19641 |
192.1 |
-0.1 |
0.578 |
2 |
0 |
0 |
0.000 |
18 |
|
C |
15 |
4 |
20138 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
21 |
9 |
19641 |
186.0 |
-0.3 |
0.622 |
4 |
0 |
0 |
0.000 |
19 |
|
C |
18 |
7 |
20138 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
5 |
19881 |
171.2 |
-0.3 |
0.533 |
3 |
0 |
0 |
0.000 |
Average: |
183.1 |
-0.2 |
0.578 |
3 |
0 |
0 |
0.000 |
9 |
20 |
|
A |
24 |
9 |
19641 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
21 |
7 |
19881 |
158.7 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
C |
15 |
6 |
20138 |
◊ |
C |
-x-1,y,-z |
2_455 |
15 |
6 |
20138 |
146.5 |
-1.1 |
0.497 |
1 |
0 |
0 |
0.000 |
11 |
22 |
|
C |
7 |
4 |
20138 |
f |
[SO4]B:601 |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
1 |
187 |
84.3 |
-11.5 |
0.938 |
5 |
0 |
0 |
0.139 |
12 |
23 |
|
[SO4]C:601 |
5 |
1 |
186 |
f |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
7 |
4 |
19881 |
82.4 |
-11.3 |
0.937 |
5 |
0 |
0 |
0.137 |
13 |
24 |
|
[SO4]A:601 |
5 |
1 |
186 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
4 |
19641 |
69.1 |
-7.7 |
0.952 |
5 |
0 |
0 |
0.182 |
14 |
25 |
|
[SO4]A:602 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19641 |
68.7 |
-7.3 |
0.953 |
5 |
0 |
0 |
0.175 |
15 |
26 |
|
[STR]A:604 |
4 |
1 |
489 |
f |
[HEM]A:603 |
x,y,z |
1_555 |
19 |
1 |
824 |
67.1 |
-0.7 |
0.606 |
0 |
0 |
0 |
0.016 |
27 |
|
[STR]B:603 |
3 |
1 |
491 |
f |
[HEM]B:602 |
x,y,z |
1_555 |
19 |
1 |
825 |
65.2 |
-0.7 |
0.699 |
0 |
0 |
0 |
0.016 |
28 |
|
[STR]C:603 |
3 |
1 |
488 |
f |
[HEM]C:602 |
x,y,z |
1_555 |
19 |
1 |
819 |
64.2 |
-0.7 |
0.692 |
0 |
0 |
0 |
0.016 |
Average: |
65.5 |
-0.7 |
0.665 |
0 |
0 |
0 |
0.016 |
16 |
29 |
|
[SO4]A:602 |
5 |
1 |
186 |
f |
[SO4]A:601 |
-x,y,-z+1 |
2_556 |
5 |
1 |
186 |
62.7 |
-13.8 |
0.993 |
0 |
0 |
0 |
0.302 |
17 |
30 |
|
[SO4]B:601 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19881 |
58.7 |
-6.9 |
0.906 |
2 |
0 |
0 |
0.079 |
18 |
31 |
|
[SO4]C:601 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
20138 |
57.9 |
-6.8 |
0.901 |
2 |
0 |
0 |
0.078 |
19 |
32 |
|
[SO4]A:602 |
4 |
1 |
186 |
◊ |
A |
-x,y,-z+1 |
2_556 |
6 |
3 |
19641 |
42.3 |
-4.7 |
0.924 |
2 |
0 |
0 |
0.123 |
20 |
33 |
|
[SO4]A:601 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19641 |
38.9 |
-4.3 |
0.918 |
2 |
0 |
0 |
0.113 |
21 |
34 |
|
A |
2 |
1 |
19641 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
3 |
1 |
20138 |
30.0 |
1.4 |
0.944 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
3 |
1 |
19881 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
1 |
19881 |
18.6 |
1.0 |
0.905 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
1.2 |
0.924 |
0 |
0 |
0 |
0.000 |
|