| ## |
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 |
286 |
68 |
19355 |
◊ |
A |
x,y,z |
1_555 |
288 |
72 |
19418 |
2815.3 |
-35.6 |
0.012 |
30 |
14 |
0 |
0.482 |
2 |
|
D |
287 |
67 |
19654 |
◊ |
C |
x,y,z |
1_555 |
284 |
67 |
18933 |
2803.6 |
-35.4 |
0.016 |
30 |
14 |
0 |
0.482 |
| Average: |
2809.4 |
-35.5 |
0.014 |
30 |
14 |
0 |
0.482 |
| 2 |
3 |
|
C |
199 |
51 |
18933 |
◊ |
A |
x,y,z |
1_555 |
195 |
51 |
19418 |
1840.0 |
-5.5 |
0.677 |
25 |
8 |
0 |
0.288 |
4 |
|
D |
191 |
49 |
19654 |
◊ |
B |
x,y,z |
1_555 |
184 |
51 |
19355 |
1736.5 |
-9.8 |
0.397 |
24 |
7 |
0 |
0.288 |
| Average: |
1788.3 |
-7.7 |
0.537 |
25 |
8 |
0 |
0.288 |
| 3 |
5 |
|
C |
80 |
18 |
18933 |
◊ |
B |
x,y,z |
1_555 |
80 |
23 |
19355 |
780.6 |
-5.2 |
0.430 |
9 |
4 |
0 |
0.066 |
6 |
|
D |
76 |
19 |
19654 |
◊ |
A |
x,y,z |
1_555 |
78 |
22 |
19418 |
773.4 |
-3.1 |
0.503 |
9 |
5 |
0 |
0.066 |
| Average: |
777.0 |
-4.2 |
0.466 |
9 |
5 |
0 |
0.066 |
| 4 |
7 |
|
B |
81 |
27 |
19355 |
◊ |
B |
-x,-y-1,z |
2_545 |
81 |
27 |
19355 |
630.3 |
5.3 |
0.927 |
2 |
4 |
0 |
0.000 |
| 5 |
8 |
|
[HEM]B:500 |
43 |
1 |
806 |
f |
B |
x,y,z |
1_555 |
86 |
33 |
19355 |
566.2 |
-21.9 |
0.328 |
6 |
0 |
0 |
0.704 |
9 |
|
[HEM]D:500 |
43 |
1 |
812 |
f |
D |
x,y,z |
1_555 |
82 |
33 |
19654 |
564.5 |
-21.8 |
0.311 |
7 |
0 |
0 |
0.704 |
10 |
|
[HEM]C:500 |
43 |
1 |
806 |
f |
C |
x,y,z |
1_555 |
84 |
33 |
18933 |
562.0 |
-22.0 |
0.355 |
7 |
0 |
0 |
0.704 |
11 |
|
[HEM]A:500 |
43 |
1 |
806 |
f |
A |
x,y,z |
1_555 |
86 |
33 |
19418 |
561.0 |
-22.9 |
0.250 |
7 |
0 |
0 |
0.704 |
| Average: |
563.4 |
-22.2 |
0.311 |
7 |
0 |
0 |
0.704 |
| 6 |
12 |
|
B |
54 |
16 |
19355 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
54 |
17 |
19418 |
477.0 |
2.0 |
0.813 |
5 |
9 |
0 |
0.000 |
| 7 |
13 |
|
D |
36 |
11 |
19654 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
46 |
17 |
19418 |
383.6 |
4.2 |
0.851 |
10 |
10 |
0 |
0.000 |
| 8 |
14 |
|
D |
26 |
7 |
19654 |
◊ |
C |
x,y,z-1 |
1_554 |
29 |
9 |
18933 |
229.8 |
-1.2 |
0.532 |
1 |
4 |
0 |
0.000 |
| 9 |
15 |
|
A |
17 |
7 |
19418 |
x |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
9 |
5 |
19418 |
94.6 |
-1.7 |
0.294 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[CMO]D:501 |
2 |
1 |
136 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
19654 |
59.3 |
-0.1 |
0.759 |
0 |
0 |
0 |
0.001 |
| 11 |
17 |
|
[CMO]A:501 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
19418 |
59.2 |
-0.0 |
0.770 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[CMO]B:501 |
2 |
1 |
136 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19355 |
59.2 |
-0.1 |
0.765 |
0 |
0 |
0 |
0.001 |
| 13 |
19 |
|
[CMO]C:501 |
2 |
1 |
136 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
18933 |
59.0 |
-0.0 |
0.779 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[CMO]B:501 |
2 |
1 |
136 |
cf |
[HEM]B:500 |
x,y,z |
1_555 |
19 |
1 |
806 |
42.2 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.024 |
| 15 |
21 |
|
[CMO]D:501 |
2 |
1 |
136 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
17 |
1 |
812 |
41.8 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.023 |
| 16 |
22 |
|
[CMO]C:501 |
2 |
1 |
136 |
cf |
[HEM]C:500 |
x,y,z |
1_555 |
18 |
1 |
806 |
41.7 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.025 |
| 17 |
23 |
|
[CMO]A:501 |
2 |
1 |
135 |
cf |
[HEM]A:500 |
x,y,z |
1_555 |
17 |
1 |
806 |
41.3 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.025 |
| 18 |
24 |
|
[HEM]C:500 |
7 |
1 |
806 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19654 |
27.7 |
-0.4 |
0.856 |
0 |
0 |
0 |
0.006 |
25 |
|
[HEM]A:500 |
6 |
1 |
806 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19355 |
26.9 |
-0.3 |
0.861 |
0 |
0 |
0 |
0.006 |
26 |
|
[HEM]B:500 |
7 |
1 |
806 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19418 |
26.1 |
-0.3 |
0.873 |
0 |
0 |
0 |
0.006 |
27 |
|
[HEM]D:500 |
7 |
1 |
812 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18933 |
25.7 |
-0.3 |
0.872 |
0 |
0 |
0 |
0.006 |
| Average: |
26.6 |
-0.3 |
0.865 |
0 |
0 |
0 |
0.006 |
| 19 |
28 |
|
B |
5 |
2 |
19355 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
4 |
3 |
19418 |
24.1 |
0.7 |
0.783 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
C |
2 |
2 |
18933 |
◊ |
B |
-x,-y-1,z |
2_545 |
6 |
1 |
19355 |
18.6 |
0.7 |
0.814 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
D |
2 |
2 |
19654 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
19355 |
13.2 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[CMO]C:501 |
2 |
1 |
136 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19654 |
11.9 |
-0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[CMO]D:501 |
1 |
1 |
136 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18933 |
11.5 |
-0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[CMO]B:501 |
1 |
1 |
136 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19418 |
11.3 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[CMO]A:501 |
2 |
1 |
135 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19355 |
10.4 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
|