## |
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 |
89 |
22 |
7860 |
◊ |
A |
x,y,z |
1_555 |
93 |
23 |
7644 |
877.6 |
-10.3 |
0.365 |
6 |
0 |
0 |
0.266 |
2 |
|
D |
92 |
24 |
7890 |
◊ |
C |
x,y,z |
1_555 |
83 |
25 |
7597 |
831.5 |
-11.9 |
0.240 |
8 |
0 |
0 |
0.266 |
Average: |
854.6 |
-11.1 |
0.303 |
7 |
0 |
0 |
0.266 |
2 |
3 |
|
[HEM]A:200 |
43 |
1 |
835 |
f |
A |
x,y,z |
1_555 |
69 |
27 |
7644 |
583.2 |
-20.5 |
0.280 |
1 |
0 |
0 |
0.368 |
4 |
|
[HEM]C:200 |
43 |
1 |
829 |
f |
C |
x,y,z |
1_555 |
78 |
28 |
7597 |
582.5 |
-20.3 |
0.342 |
1 |
0 |
0 |
0.368 |
Average: |
582.9 |
-20.4 |
0.311 |
1 |
0 |
0 |
0.368 |
3 |
5 |
|
[HEM]D:200 |
42 |
1 |
807 |
f |
D |
x,y,z |
1_555 |
63 |
24 |
7890 |
521.1 |
-17.4 |
0.321 |
0 |
0 |
0 |
0.311 |
6 |
|
[HEM]B:200 |
40 |
1 |
805 |
f |
B |
x,y,z |
1_555 |
61 |
23 |
7860 |
510.8 |
-17.7 |
0.285 |
0 |
0 |
0 |
0.311 |
Average: |
515.9 |
-17.6 |
0.303 |
0 |
0 |
0 |
0.311 |
4 |
7 |
|
B |
55 |
15 |
7860 |
◊ |
C |
x,y,z |
1_555 |
50 |
12 |
7597 |
462.1 |
-3.4 |
0.596 |
0 |
0 |
0 |
0.076 |
8 |
|
D |
54 |
12 |
7890 |
◊ |
A |
x,y,z |
1_555 |
46 |
10 |
7644 |
423.7 |
-4.7 |
0.475 |
3 |
0 |
0 |
0.076 |
Average: |
442.9 |
-4.0 |
0.535 |
2 |
0 |
0 |
0.076 |
5 |
9 |
|
C |
32 |
11 |
7597 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
7644 |
306.9 |
-3.0 |
0.506 |
2 |
1 |
0 |
0.033 |
6 |
10 |
|
B |
22 |
9 |
7860 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
29 |
11 |
7597 |
240.7 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
27 |
10 |
7890 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
7860 |
177.8 |
-1.6 |
0.581 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
22 |
5 |
7644 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
19 |
7 |
7890 |
162.9 |
-0.8 |
0.630 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
18 |
6 |
7644 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
18 |
7 |
7860 |
160.7 |
1.0 |
0.839 |
2 |
4 |
0 |
0.000 |
10 |
14 |
|
D |
18 |
4 |
7890 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
22 |
6 |
7597 |
160.7 |
-0.1 |
0.655 |
2 |
2 |
0 |
0.000 |
11 |
15 |
|
D |
14 |
4 |
7890 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
14 |
5 |
7644 |
148.4 |
-0.6 |
0.512 |
2 |
2 |
0 |
0.000 |
12 |
16 |
|
[NDD]B:400 |
14 |
1 |
357 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
7597 |
122.6 |
2.2 |
0.152 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
14 |
5 |
7890 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
7860 |
107.5 |
1.5 |
0.815 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[CMO]A:201 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
7644 |
65.3 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.012 |
15 |
19 |
|
[CMO]B:201 |
2 |
1 |
136 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7860 |
64.6 |
-1.0 |
0.670 |
0 |
0 |
0 |
0.018 |
16 |
20 |
|
[CMO]D:201 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
7890 |
64.3 |
-0.3 |
0.760 |
0 |
0 |
0 |
0.005 |
17 |
21 |
|
[CMO]C:201 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7597 |
63.9 |
-0.7 |
0.695 |
0 |
0 |
0 |
0.012 |
18 |
22 |
|
[NDD]B:400 |
4 |
1 |
357 |
c |
B |
x,y,z |
1_555 |
4 |
1 |
7860 |
60.8 |
2.6 |
0.668 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
7 |
3 |
7597 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
11 |
3 |
7860 |
57.3 |
-0.6 |
0.434 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[NDD]B:400 |
3 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
7890 |
57.2 |
-0.0 |
0.177 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[NDD]B:400 |
8 |
1 |
357 |
◊ |
[HEM]C:200 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
829 |
56.7 |
0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
4 |
2 |
7860 |
◊ |
[HEM]C:200 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
829 |
47.3 |
-2.0 |
0.454 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[CMO]B:201 |
2 |
1 |
136 |
cf |
[HEM]B:200 |
x,y,z |
1_555 |
18 |
1 |
805 |
47.1 |
-1.6 |
0.866 |
0 |
0 |
0 |
0.028 |
24 |
28 |
|
[CMO]C:201 |
2 |
1 |
137 |
cf |
[HEM]C:200 |
x,y,z |
1_555 |
18 |
1 |
829 |
45.3 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.033 |
25 |
29 |
|
[CMO]D:201 |
2 |
1 |
137 |
cf |
[HEM]D:200 |
x,y,z |
1_555 |
16 |
1 |
807 |
45.0 |
-1.7 |
0.500 |
0 |
0 |
0 |
0.030 |
26 |
30 |
|
[CMO]A:201 |
2 |
1 |
137 |
cf |
[HEM]A:200 |
x,y,z |
1_555 |
15 |
1 |
835 |
44.3 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.036 |
27 |
31 |
|
C |
3 |
2 |
7597 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
2 |
7644 |
38.0 |
-1.2 |
0.170 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
D |
3 |
1 |
7890 |
x |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
2 |
7890 |
19.0 |
-0.1 |
0.460 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
D |
1 |
1 |
7890 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7644 |
11.3 |
-0.4 |
0.214 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
D |
1 |
1 |
7890 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
7860 |
1.1 |
0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
|