| ## |
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 |
|
D |
90 |
23 |
8096 |
◊ |
C |
x,y,z |
1_555 |
90 |
23 |
7771 |
889.3 |
-10.9 |
0.284 |
7 |
0 |
0 |
0.241 |
2 |
|
B |
90 |
23 |
8008 |
◊ |
A |
x,y,z |
1_555 |
92 |
23 |
7536 |
867.9 |
-9.4 |
0.453 |
10 |
0 |
0 |
0.241 |
| Average: |
878.6 |
-10.2 |
0.369 |
9 |
0 |
0 |
0.241 |
| 2 |
3 |
|
[HEM]A:200 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
70 |
27 |
7536 |
577.5 |
-19.6 |
0.479 |
1 |
0 |
0 |
0.348 |
4 |
|
[HEM]C:200 |
43 |
1 |
838 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
7771 |
566.7 |
-20.0 |
0.312 |
0 |
0 |
0 |
0.348 |
| Average: |
572.1 |
-19.8 |
0.396 |
1 |
0 |
0 |
0.348 |
| 3 |
5 |
|
[HEM]D:200 |
43 |
1 |
840 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
8096 |
555.4 |
-19.1 |
0.263 |
0 |
0 |
0 |
0.331 |
6 |
|
[HEM]B:200 |
43 |
1 |
834 |
f |
B |
x,y,z |
1_555 |
67 |
24 |
8008 |
549.8 |
-19.1 |
0.295 |
0 |
0 |
0 |
0.331 |
| Average: |
552.6 |
-19.1 |
0.279 |
0 |
0 |
0 |
0.331 |
| 4 |
7 |
|
B |
68 |
18 |
8008 |
◊ |
C |
x,y,z |
1_555 |
58 |
17 |
7771 |
533.8 |
-3.7 |
0.660 |
3 |
2 |
0 |
0.081 |
8 |
|
D |
66 |
16 |
8096 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
7536 |
513.2 |
-4.7 |
0.545 |
2 |
1 |
0 |
0.081 |
| Average: |
523.5 |
-4.2 |
0.602 |
3 |
2 |
0 |
0.081 |
| 5 |
9 |
|
D |
40 |
10 |
8096 |
◊ |
B |
x,y,z |
1_555 |
40 |
10 |
8008 |
347.6 |
-0.9 |
0.719 |
4 |
0 |
0 |
0.020 |
| 6 |
10 |
|
B |
34 |
9 |
8008 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
31 |
11 |
7771 |
304.2 |
-3.3 |
0.471 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
35 |
10 |
7771 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
7536 |
278.0 |
-1.8 |
0.681 |
4 |
0 |
0 |
0.026 |
| 8 |
12 |
|
B |
26 |
9 |
8008 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
29 |
9 |
8096 |
233.7 |
-0.3 |
0.703 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
D |
19 |
5 |
8096 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
19 |
4 |
8008 |
188.8 |
-1.6 |
0.431 |
2 |
1 |
0 |
0.000 |
| 10 |
14 |
|
D |
13 |
5 |
8096 |
◊ |
A |
-x+1,y,-z |
2_655 |
20 |
6 |
7536 |
179.7 |
-1.0 |
0.586 |
1 |
3 |
0 |
0.013 |
| 11 |
15 |
|
A |
20 |
4 |
7536 |
◊ |
A |
-x+1,y,-z |
2_655 |
20 |
4 |
7536 |
160.0 |
0.4 |
0.814 |
2 |
6 |
0 |
0.005 |
| 12 |
16 |
|
[TMM]D:300 |
11 |
1 |
338 |
cf |
D |
x,y,z |
1_555 |
24 |
8 |
8096 |
149.5 |
-1.1 |
0.633 |
2 |
0 |
0 |
0.033 |
| 13 |
17 |
|
D |
17 |
7 |
8096 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
14 |
4 |
7771 |
142.7 |
-0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
A |
22 |
8 |
7536 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
14 |
4 |
7536 |
139.1 |
-1.2 |
0.617 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
13 |
5 |
8008 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
15 |
4 |
7771 |
126.8 |
1.0 |
0.764 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
C |
13 |
6 |
7771 |
◊ |
C |
-x+1,y,-z-1 |
2_654 |
13 |
6 |
7771 |
116.5 |
-1.0 |
0.578 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[HEM]A:200 |
9 |
1 |
831 |
◊ |
D |
-x+1,y,-z |
2_655 |
13 |
6 |
8096 |
102.0 |
-5.1 |
0.394 |
1 |
0 |
0 |
0.038 |
| 18 |
22 |
|
[TMM]D:300 |
6 |
1 |
338 |
c |
B |
x,y,z |
1_555 |
10 |
3 |
8008 |
86.2 |
-0.4 |
0.588 |
0 |
0 |
0 |
0.003 |
| 19 |
23 |
|
[TMM]D:300 |
11 |
1 |
338 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
8 |
1 |
7771 |
70.7 |
0.5 |
0.660 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[CMO]C:201 |
2 |
1 |
136 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7771 |
64.1 |
-0.6 |
0.718 |
0 |
0 |
0 |
0.010 |
| 21 |
25 |
|
[CMO]D:201 |
2 |
1 |
135 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
8096 |
63.3 |
-0.7 |
0.696 |
0 |
0 |
0 |
0.011 |
| 22 |
26 |
|
[CMO]B:201 |
2 |
1 |
136 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
8008 |
62.6 |
-0.6 |
0.697 |
0 |
0 |
0 |
0.011 |
| 23 |
27 |
|
[CMO]A:201 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7536 |
62.5 |
0.1 |
0.817 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
C |
5 |
3 |
7771 |
◊ |
A |
-x+1,y,-z |
2_655 |
7 |
3 |
7536 |
59.1 |
-1.1 |
0.299 |
0 |
0 |
0 |
0.008 |
| 25 |
29 |
|
[CMO]C:201 |
2 |
1 |
136 |
cf |
[HEM]C:200 |
x,y,z |
1_555 |
16 |
1 |
838 |
45.3 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.033 |
| 26 |
30 |
|
[CMO]B:201 |
2 |
1 |
136 |
cf |
[HEM]B:200 |
x,y,z |
1_555 |
13 |
1 |
834 |
45.2 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.035 |
| 27 |
31 |
|
[CMO]A:201 |
2 |
1 |
137 |
cf |
[HEM]A:200 |
x,y,z |
1_555 |
16 |
1 |
831 |
44.1 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.035 |
| 28 |
32 |
|
[CMO]D:201 |
2 |
1 |
135 |
cf |
[HEM]D:200 |
x,y,z |
1_555 |
17 |
1 |
840 |
44.0 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.032 |
| 29 |
33 |
|
D |
8 |
5 |
8096 |
◊ |
D |
-x+1,y,-z-1 |
2_654 |
8 |
5 |
8096 |
42.3 |
0.5 |
0.752 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
A |
4 |
3 |
7536 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
8096 |
29.7 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
D |
1 |
1 |
8096 |
◊ |
D |
-x+1,y,-z |
2_655 |
1 |
1 |
8096 |
11.7 |
0.3 |
0.871 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
D |
1 |
1 |
8096 |
◊ |
C |
-x+1,y,-z-1 |
2_654 |
1 |
1 |
7771 |
6.7 |
0.5 |
0.911 |
0 |
0 |
0 |
0.000 |
|