| ## |
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 |
|
[HEM]C:296 |
43 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
94 |
34 |
13132 |
624.5 |
-22.1 |
0.347 |
6 |
0 |
0 |
0.090 |
2 |
|
[HEM]A:296 |
43 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
93 |
34 |
13098 |
623.5 |
-21.8 |
0.369 |
6 |
0 |
0 |
0.090 |
| Average: |
624.0 |
-21.9 |
0.358 |
6 |
0 |
0 |
0.090 |
| 2 |
3 |
|
[HEM]B:104 |
43 |
1 |
836 |
cf |
B |
x,y,z |
1_555 |
79 |
32 |
6169 |
592.3 |
-24.9 |
0.232 |
7 |
0 |
0 |
0.100 |
4 |
|
[HEM]D:104 |
43 |
1 |
832 |
f |
D |
x,y,z |
1_555 |
75 |
29 |
6134 |
591.5 |
-25.0 |
0.219 |
7 |
0 |
0 |
0.100 |
| Average: |
591.9 |
-24.9 |
0.225 |
7 |
0 |
0 |
0.100 |
| 3 |
5 |
|
B |
54 |
18 |
6169 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
13098 |
555.2 |
-1.2 |
0.608 |
4 |
2 |
0 |
0.000 |
6 |
|
D |
50 |
17 |
6134 |
◊ |
C |
x,y,z |
1_555 |
55 |
15 |
13132 |
523.0 |
-2.0 |
0.559 |
4 |
1 |
0 |
0.000 |
| Average: |
539.1 |
-1.6 |
0.583 |
4 |
2 |
0 |
0.000 |
| 4 |
7 |
|
A |
60 |
14 |
13098 |
◊ |
C |
x-1,y,z-1 |
1_454 |
56 |
18 |
13132 |
497.9 |
0.4 |
0.673 |
7 |
3 |
0 |
0.000 |
8 |
|
A |
49 |
14 |
13098 |
◊ |
C |
x-1,y,z |
1_455 |
46 |
14 |
13132 |
431.5 |
-1.2 |
0.403 |
3 |
4 |
0 |
0.000 |
| Average: |
464.7 |
-0.4 |
0.538 |
5 |
4 |
0 |
0.000 |
| 5 |
9 |
|
C |
47 |
14 |
13132 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
13098 |
395.7 |
-5.1 |
0.188 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
22 |
9 |
6169 |
◊ |
C |
x,y,z |
1_555 |
26 |
9 |
13132 |
180.9 |
2.4 |
0.872 |
2 |
3 |
0 |
0.000 |
| 7 |
11 |
|
B |
21 |
10 |
6169 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
22 |
9 |
6134 |
161.4 |
-1.8 |
0.480 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
15 |
4 |
6169 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
13132 |
148.4 |
-0.2 |
0.629 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
D |
16 |
5 |
6134 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
13098 |
125.9 |
-0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
5 |
1 |
13098 |
x |
A |
x,y,z-1 |
1_554 |
12 |
5 |
13098 |
92.7 |
0.6 |
0.738 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
3 |
2 |
13132 |
x |
C |
x,y,z-1 |
1_554 |
5 |
2 |
13132 |
14.1 |
-0.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| Average: |
53.4 |
0.1 |
0.581 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
C |
10 |
4 |
13132 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
6134 |
80.4 |
-0.3 |
0.350 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
B |
9 |
3 |
6169 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
3 |
13132 |
78.9 |
-0.1 |
0.619 |
0 |
1 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]C:300 |
2 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
13132 |
66.3 |
-2.1 |
0.812 |
2 |
0 |
0 |
0.011 |
| 14 |
19 |
|
[SO4]A:299 |
2 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13098 |
65.2 |
-1.6 |
0.815 |
3 |
0 |
0 |
0.011 |
| 15 |
20 |
|
[HEM]C:296 |
19 |
1 |
821 |
f |
[SO4]C:300 |
x,y,z |
1_555 |
2 |
1 |
148 |
49.2 |
0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[HEM]A:296 |
18 |
1 |
823 |
f |
[SO4]A:299 |
x,y,z |
1_555 |
2 |
1 |
147 |
48.9 |
-0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[HEM]B:104 |
3 |
1 |
836 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13098 |
45.3 |
-1.3 |
0.394 |
0 |
0 |
0 |
0.000 |
23 |
|
[HEM]D:104 |
3 |
1 |
832 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
13132 |
45.1 |
-1.4 |
0.376 |
0 |
0 |
0 |
0.000 |
| Average: |
45.2 |
-1.3 |
0.385 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
C |
5 |
2 |
13132 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
6169 |
21.6 |
0.4 |
0.761 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
1 |
1 |
13098 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
6134 |
7.0 |
-0.2 |
0.294 |
0 |
0 |
0 |
0.000 |
| Average: |
14.3 |
0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
C |
4 |
2 |
13132 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
6134 |
17.2 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
1 |
1 |
13098 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
6169 |
13.6 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
| Average: |
15.4 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
|