| ## |
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 |
112 |
32 |
7535 |
◊ |
B |
x,y,z |
1_555 |
117 |
33 |
7502 |
1127.3 |
-5.3 |
0.359 |
7 |
6 |
0 |
0.134 |
| 2 |
2 |
|
D |
79 |
26 |
7278 |
◊ |
A |
x,y,z |
1_555 |
91 |
26 |
7344 |
787.6 |
-6.9 |
0.522 |
4 |
2 |
0 |
0.130 |
| 3 |
3 |
|
[HEM]C:200 |
43 |
1 |
835 |
f |
C |
x,y,z |
1_555 |
82 |
26 |
7535 |
616.8 |
-19.0 |
0.556 |
2 |
0 |
0 |
0.307 |
| 4 |
4 |
|
[HEM]A:200 |
43 |
1 |
842 |
f |
A |
x,y,z |
1_555 |
77 |
26 |
7344 |
602.4 |
-20.3 |
0.328 |
1 |
0 |
0 |
0.321 |
| 5 |
5 |
|
[HEM]B:200 |
43 |
1 |
835 |
f |
B |
x,y,z |
1_555 |
78 |
27 |
7502 |
594.8 |
-19.2 |
0.406 |
4 |
0 |
0 |
0.304 |
| 6 |
6 |
|
[HEM]D:200 |
43 |
1 |
824 |
f |
D |
x,y,z |
1_555 |
65 |
23 |
7278 |
572.4 |
-17.8 |
0.537 |
1 |
0 |
0 |
0.265 |
| 7 |
7 |
|
D |
48 |
16 |
7278 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
7502 |
520.1 |
-8.5 |
0.125 |
2 |
0 |
0 |
0.058 |
| 8 |
8 |
|
A |
59 |
15 |
7344 |
◊ |
A |
y,x,-z+1 |
4_556 |
58 |
15 |
7344 |
500.6 |
-1.8 |
0.661 |
4 |
0 |
0 |
0.000 |
| 9 |
9 |
|
D |
48 |
14 |
7278 |
◊ |
C |
-y,x-y,z |
2_555 |
47 |
15 |
7535 |
474.4 |
-4.3 |
0.423 |
9 |
9 |
0 |
0.016 |
| 10 |
10 |
|
C |
50 |
16 |
7535 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
7344 |
450.3 |
-7.6 |
0.096 |
1 |
0 |
1 |
0.186 |
| 11 |
11 |
|
B |
48 |
14 |
7502 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
48 |
14 |
7502 |
389.3 |
-4.9 |
0.240 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
C |
25 |
8 |
7535 |
◊ |
A |
y,x,-z+1 |
4_556 |
26 |
9 |
7344 |
250.4 |
2.0 |
0.870 |
6 |
2 |
0 |
0.000 |
| 13 |
13 |
|
B |
22 |
6 |
7502 |
x |
B |
-y,x-y,z |
2_555 |
20 |
6 |
7502 |
187.8 |
2.1 |
0.832 |
4 |
6 |
0 |
0.000 |
| 14 |
14 |
|
D |
17 |
6 |
7278 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
7535 |
139.8 |
-2.0 |
0.396 |
1 |
0 |
0 |
0.015 |
| 15 |
15 |
|
C |
11 |
7 |
7535 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
12 |
4 |
7502 |
101.3 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[MMC]D:3500 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
7278 |
100.1 |
-5.3 |
0.766 |
0 |
0 |
0 |
0.078 |
| 17 |
17 |
|
[MMC]C:2500 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7535 |
96.0 |
-5.5 |
0.671 |
0 |
0 |
0 |
0.084 |
| 18 |
18 |
|
[MMC]A:500 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
7344 |
93.0 |
-5.4 |
0.683 |
0 |
0 |
0 |
0.083 |
| 19 |
19 |
|
[MMC]B:1500 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7502 |
84.9 |
-4.7 |
0.586 |
0 |
0 |
0 |
0.068 |
| 20 |
20 |
|
[HEM]C:200 |
8 |
1 |
835 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7502 |
77.9 |
-2.4 |
0.665 |
3 |
0 |
0 |
0.054 |
| 21 |
21 |
|
[HEM]D:200 |
7 |
1 |
824 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7344 |
76.4 |
-3.2 |
0.524 |
2 |
0 |
0 |
0.060 |
| 22 |
22 |
|
D |
8 |
2 |
7278 |
◊ |
B |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
8 |
3 |
7502 |
67.2 |
-0.6 |
0.370 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[HEM]B:200 |
7 |
1 |
835 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
7535 |
57.0 |
-2.4 |
0.655 |
3 |
0 |
0 |
0.054 |
| 24 |
24 |
|
[OXY]A:201 |
2 |
1 |
121 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7344 |
55.9 |
0.4 |
0.635 |
2 |
0 |
0 |
0.008 |
| 25 |
25 |
|
[OXY]C:2201 |
2 |
1 |
120 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7535 |
54.8 |
0.8 |
0.829 |
2 |
0 |
0 |
0.002 |
| 26 |
26 |
|
[OXY]B:1201 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7502 |
53.7 |
0.9 |
0.819 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[OXY]D:3201 |
2 |
1 |
120 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
7278 |
53.4 |
0.9 |
0.920 |
2 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[HEM]A:200 |
4 |
1 |
842 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7278 |
52.5 |
-2.2 |
0.510 |
2 |
0 |
0 |
0.044 |
| 29 |
29 |
|
A |
7 |
4 |
7344 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
6 |
2 |
7278 |
45.6 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[OXY]D:3201 |
2 |
1 |
120 |
cf |
[HEM]D:200 |
x,y,z |
1_555 |
16 |
1 |
824 |
41.6 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.004 |
| 31 |
31 |
|
[OXY]A:201 |
2 |
1 |
121 |
cf |
[HEM]A:200 |
x,y,z |
1_555 |
18 |
1 |
842 |
39.9 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.005 |
| 32 |
32 |
|
[OXY]C:2201 |
2 |
1 |
120 |
cf |
[HEM]C:200 |
x,y,z |
1_555 |
17 |
1 |
835 |
39.4 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.004 |
| 33 |
33 |
|
[OXY]B:1201 |
2 |
1 |
120 |
cf |
[HEM]B:200 |
x,y,z |
1_555 |
17 |
1 |
835 |
38.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.004 |
| 34 |
34 |
|
[MMC]B:1500 |
1 |
1 |
186 |
f |
[HEM]B:200 |
x,y,z |
1_555 |
7 |
1 |
835 |
33.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 35 |
35 |
|
B |
3 |
1 |
7502 |
◊ |
D |
-x+1/3,-x+y-1/3,-z+2/3 |
18_545 |
2 |
2 |
7278 |
25.1 |
-0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[HEM]D:200 |
3 |
1 |
824 |
◊ |
[HEM]A:200 |
x,y,z |
1_555 |
4 |
1 |
842 |
24.6 |
-1.9 |
0.667 |
0 |
0 |
0 |
0.027 |
37 |
|
[HEM]C:200 |
2 |
1 |
835 |
◊ |
[HEM]B:200 |
x,y,z |
1_555 |
1 |
1 |
835 |
2.4 |
-0.1 |
0.940 |
0 |
0 |
0 |
0.027 |
| Average: |
13.5 |
-1.0 |
0.803 |
0 |
0 |
0 |
0.027 |
| 37 |
38 |
|
D |
3 |
1 |
7278 |
◊ |
A |
-x,-x+y,-z+1 |
6_556 |
4 |
1 |
7344 |
12.6 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
D |
1 |
1 |
7278 |
x |
D |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
7278 |
6.9 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
B |
1 |
1 |
7502 |
◊ |
C |
-y,x-y,z |
2_555 |
2 |
1 |
7535 |
2.9 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[MMC]A:500 |
1 |
1 |
185 |
f |
[HEM]A:200 |
x,y,z |
1_555 |
1 |
1 |
842 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|