| ## |
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 |
|
A |
146 |
37 |
21809 |
◊ |
A |
-x,-y+1,z |
10_454 |
145 |
37 |
21809 |
1356.3 |
-9.3 |
0.389 |
16 |
10 |
0 |
0.041 |
| 2 |
2 |
|
[HEM]A:509 |
43 |
1 |
809 |
cf |
A |
x,y,z |
1_555 |
67 |
25 |
21809 |
551.9 |
-24.4 |
0.033 |
6 |
0 |
0 |
0.126 |
| 3 |
3 |
|
[HEM]A:508 |
42 |
1 |
802 |
cf |
A |
x,y,z |
1_555 |
91 |
33 |
21809 |
524.3 |
-15.7 |
0.623 |
4 |
0 |
0 |
0.082 |
| 4 |
4 |
|
[HEM]A:511 |
43 |
1 |
795 |
cf |
A |
x,y,z |
1_555 |
79 |
25 |
21809 |
475.5 |
-17.9 |
0.192 |
0 |
0 |
0 |
0.083 |
| 5 |
5 |
|
[HEM]A:510 |
43 |
1 |
843 |
cf |
A |
x,y,z |
1_555 |
75 |
28 |
21809 |
475.1 |
-19.9 |
0.096 |
2 |
0 |
0 |
0.097 |
| 6 |
6 |
|
A |
50 |
18 |
21809 |
x |
A |
-y+1/2,x,z-1/4 |
11_544 |
52 |
15 |
21809 |
448.4 |
1.0 |
0.780 |
3 |
3 |
0 |
0.000 |
| 7 |
7 |
|
[HEM]A:512 |
41 |
1 |
810 |
cf |
A |
x,y,z |
1_555 |
54 |
22 |
21809 |
427.6 |
-16.5 |
0.051 |
1 |
0 |
0 |
0.079 |
| 8 |
8 |
|
A |
18 |
7 |
21809 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
18 |
7 |
21809 |
120.4 |
2.3 |
0.881 |
4 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[HEM]A:512 |
13 |
1 |
810 |
◊ |
A |
-x,-y+1,z |
10_454 |
14 |
6 |
21809 |
108.2 |
-3.5 |
0.665 |
0 |
0 |
0 |
0.016 |
| 10 |
10 |
|
[ACT]A:659 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
21809 |
98.7 |
0.1 |
0.740 |
2 |
0 |
0 |
0.004 |
| 11 |
11 |
|
[HEM]A:511 |
18 |
1 |
795 |
f |
[HEM]A:510 |
x,y,z |
1_555 |
19 |
1 |
843 |
95.8 |
-4.3 |
0.998 |
0 |
0 |
0 |
0.020 |
| 12 |
12 |
|
[HEM]A:512 |
21 |
1 |
810 |
◊ |
[HEM]A:512 |
-x,-y+1,z |
10_454 |
21 |
1 |
810 |
94.0 |
-4.2 |
1.000 |
0 |
0 |
0 |
0.010 |
| 13 |
13 |
|
[SO4]A:656 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
21809 |
92.7 |
-11.8 |
0.805 |
3 |
0 |
0 |
0.061 |
| 14 |
14 |
|
[HEM]A:510 |
19 |
1 |
843 |
f |
[HEM]A:508 |
x,y,z |
1_555 |
16 |
1 |
802 |
90.0 |
-3.6 |
0.999 |
0 |
0 |
0 |
0.017 |
| 15 |
15 |
|
[Y1]A:652 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
21809 |
85.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 16 |
16 |
|
[Y1]A:653 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21809 |
82.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 17 |
17 |
|
[Y1]A:654 |
1 |
1 |
196 |
x |
A |
x,y,z |
1_555 |
12 |
4 |
21809 |
81.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 18 |
18 |
|
A |
8 |
5 |
21809 |
◊ |
[Y1]A:652 |
-y+1/2,x,z-1/4 |
11_544 |
1 |
1 |
196 |
78.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[Y1]A:655 |
1 |
1 |
196 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
12 |
3 |
21809 |
75.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.021 |
| 20 |
20 |
|
[SO4]A:658 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
21809 |
68.3 |
-9.7 |
0.610 |
3 |
0 |
0 |
0.051 |
| 21 |
21 |
|
[HEM]A:512 |
14 |
1 |
810 |
f |
[HEM]A:511 |
x,y,z |
1_555 |
4 |
1 |
795 |
62.6 |
-2.3 |
0.766 |
0 |
0 |
0 |
0.011 |
| 22 |
22 |
|
[HEM]A:510 |
7 |
1 |
843 |
f |
[HEM]A:509 |
x,y,z |
1_555 |
5 |
1 |
809 |
62.1 |
-2.0 |
0.866 |
0 |
0 |
0 |
0.009 |
| 23 |
23 |
|
[SO4]A:657 |
4 |
1 |
187 |
f |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
16 |
6 |
21809 |
61.3 |
-9.1 |
0.765 |
1 |
0 |
0 |
0.044 |
| 24 |
24 |
|
[HEM]A:508 |
24 |
1 |
802 |
f |
[SO4]A:656 |
x,y,z |
1_555 |
5 |
1 |
187 |
61.3 |
-10.0 |
0.971 |
0 |
0 |
0 |
0.047 |
| 25 |
25 |
|
[Y1]A:655 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
21809 |
56.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| 26 |
26 |
|
[SO4]A:657 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21809 |
54.9 |
-6.0 |
0.919 |
2 |
0 |
0 |
0.032 |
| 27 |
27 |
|
A |
9 |
4 |
21809 |
x |
A |
-y+1,x+1/2,z+1/4 |
3_655 |
11 |
7 |
21809 |
54.8 |
1.0 |
0.791 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
A |
5 |
1 |
21809 |
◊ |
A |
y-1/2,x+1/2,-z+1/2 |
7_455 |
5 |
1 |
21809 |
48.4 |
1.5 |
0.895 |
0 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[CA]A:651 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21809 |
45.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.060 |
| 30 |
30 |
|
[SO4]A:657 |
5 |
1 |
187 |
◊ |
[Y1]A:655 |
x,y,z |
1_555 |
1 |
1 |
196 |
45.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| 31 |
31 |
|
[HEM]A:511 |
7 |
1 |
795 |
f |
[Y1]A:653 |
x,y,z |
1_555 |
1 |
1 |
196 |
44.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.039 |
32 |
|
[HEM]A:510 |
4 |
1 |
843 |
f |
[Y1]A:653 |
x,y,z |
1_555 |
1 |
1 |
196 |
44.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
44.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| 32 |
33 |
|
[HEM]A:512 |
4 |
1 |
810 |
x |
[Y1]A:654 |
x,y,z |
1_555 |
1 |
1 |
196 |
43.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 33 |
34 |
|
[SO4]A:658 |
5 |
1 |
185 |
x |
[Y1]A:654 |
x,y,z |
1_555 |
1 |
1 |
196 |
39.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.025 |
| 34 |
35 |
|
[SO4]A:658 |
4 |
1 |
185 |
◊ |
A |
-x,-y+1,z |
10_454 |
8 |
4 |
21809 |
36.6 |
-3.4 |
0.944 |
1 |
0 |
0 |
0.018 |
| 35 |
36 |
|
[ACT]A:659 |
3 |
1 |
183 |
f |
[Y1]A:652 |
x,y,z |
1_555 |
1 |
1 |
196 |
29.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 36 |
37 |
|
A |
2 |
2 |
21809 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
2 |
2 |
21809 |
22.5 |
-0.7 |
0.178 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[HEM]A:512 |
3 |
1 |
810 |
f |
[SO4]A:658 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.1 |
-2.9 |
0.623 |
0 |
0 |
0 |
0.014 |
| 38 |
39 |
|
[HEM]A:512 |
3 |
1 |
810 |
◊ |
[SO4]A:658 |
-x,-y+1,z |
10_454 |
2 |
1 |
185 |
19.3 |
-3.0 |
0.704 |
0 |
0 |
0 |
0.014 |
| 39 |
40 |
|
[HEM]A:511 |
1 |
1 |
795 |
f |
[HEM]A:508 |
x,y,z |
1_555 |
1 |
1 |
802 |
15.5 |
-0.5 |
0.407 |
0 |
0 |
0 |
0.002 |
| 40 |
41 |
|
[SO4]A:658 |
2 |
1 |
185 |
◊ |
[SO4]A:658 |
-x,-y+1,z |
10_454 |
2 |
1 |
185 |
4.1 |
-1.0 |
0.960 |
0 |
0 |
0 |
0.002 |
| 41 |
42 |
|
A |
2 |
1 |
21809 |
◊ |
[ACT]A:659 |
-y+1/2,x,z-1/4 |
11_544 |
1 |
1 |
183 |
1.6 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
|