| ## |
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 |
468 |
112 |
24979 |
◊ |
C |
x,y,z |
1_555 |
472 |
112 |
24968 |
4453.6 |
-40.1 |
0.143 |
57 |
8 |
0 |
0.616 |
2 |
|
B |
467 |
112 |
24957 |
◊ |
A |
x,y,z |
1_555 |
470 |
109 |
25062 |
4414.1 |
-43.3 |
0.087 |
57 |
8 |
0 |
0.616 |
| Average: |
4433.9 |
-41.7 |
0.115 |
57 |
8 |
0 |
0.616 |
| 2 |
3 |
|
D |
436 |
100 |
24979 |
◊ |
A |
x,y,z |
1_555 |
437 |
100 |
25062 |
3880.2 |
-41.8 |
0.060 |
50 |
24 |
0 |
0.562 |
4 |
|
C |
435 |
98 |
24968 |
◊ |
B |
x,y,z |
1_555 |
438 |
98 |
24957 |
3873.2 |
-39.2 |
0.086 |
49 |
25 |
0 |
0.562 |
| Average: |
3876.7 |
-40.5 |
0.073 |
50 |
25 |
0 |
0.562 |
| 3 |
5 |
|
D |
205 |
57 |
24979 |
◊ |
B |
x,y,z |
1_555 |
206 |
57 |
24957 |
1857.5 |
-24.5 |
0.051 |
20 |
0 |
0 |
0.393 |
6 |
|
C |
203 |
56 |
24968 |
◊ |
A |
x,y,z |
1_555 |
201 |
57 |
25062 |
1847.6 |
-24.8 |
0.039 |
19 |
0 |
0 |
0.393 |
| Average: |
1852.6 |
-24.7 |
0.045 |
20 |
0 |
0 |
0.393 |
| 4 |
7 |
|
[HEM]B:503 |
43 |
1 |
819 |
cf |
B |
x,y,z |
1_555 |
95 |
31 |
24957 |
565.9 |
-18.4 |
0.578 |
4 |
0 |
0 |
0.460 |
8 |
|
[HEM]D:503 |
43 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
97 |
32 |
24979 |
564.0 |
-18.9 |
0.555 |
4 |
0 |
0 |
0.460 |
9 |
|
[HEM]A:503 |
43 |
1 |
821 |
cf |
A |
x,y,z |
1_555 |
94 |
29 |
25062 |
563.2 |
-14.4 |
0.748 |
5 |
0 |
0 |
0.460 |
10 |
|
[HEM]C:503 |
43 |
1 |
816 |
cf |
C |
x,y,z |
1_555 |
93 |
29 |
24968 |
560.8 |
-18.7 |
0.544 |
3 |
0 |
0 |
0.460 |
| Average: |
563.5 |
-17.6 |
0.606 |
4 |
0 |
0 |
0.460 |
| 5 |
11 |
|
B |
59 |
17 |
24957 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
52 |
17 |
25062 |
494.6 |
0.4 |
0.802 |
5 |
1 |
0 |
0.000 |
| 6 |
12 |
|
C |
52 |
18 |
24968 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
47 |
14 |
25062 |
384.8 |
0.5 |
0.716 |
5 |
1 |
0 |
0.000 |
| 7 |
13 |
|
C |
24 |
10 |
24968 |
◊ |
C |
x,x-y,-z+1/6 |
12_555 |
25 |
10 |
24968 |
235.5 |
1.3 |
0.830 |
4 |
6 |
0 |
0.000 |
| 8 |
14 |
|
D |
27 |
12 |
24979 |
◊ |
C |
x-y,x-1,z+1/6 |
6_545 |
29 |
8 |
24968 |
229.7 |
-1.3 |
0.555 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
D |
23 |
8 |
24979 |
◊ |
A |
x-y,x-1,z+1/6 |
6_545 |
17 |
5 |
25062 |
153.1 |
1.4 |
0.825 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
B |
16 |
4 |
24957 |
◊ |
C |
x-y,x-1,z+1/6 |
6_545 |
18 |
8 |
24968 |
141.6 |
-0.7 |
0.474 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
D |
13 |
3 |
24979 |
x |
D |
x-y,x-1,z+1/6 |
6_545 |
12 |
2 |
24979 |
106.6 |
-0.3 |
0.622 |
1 |
2 |
0 |
0.000 |
| 12 |
18 |
|
[AZI]C:504 |
3 |
1 |
169 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
24968 |
80.1 |
0.8 |
0.663 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[AZI]A:504 |
3 |
1 |
169 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
25062 |
78.8 |
0.3 |
0.550 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[AZI]B:504 |
3 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
24957 |
78.6 |
0.8 |
0.665 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[AZI]D:504 |
3 |
1 |
168 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
24979 |
77.8 |
0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
C |
10 |
3 |
24968 |
◊ |
B |
x-y,-y,-z |
8_555 |
6 |
3 |
24957 |
77.0 |
-0.5 |
0.479 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[HEM]C:503 |
6 |
1 |
816 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
24957 |
72.0 |
-1.7 |
0.549 |
0 |
0 |
0 |
0.028 |
24 |
|
[HEM]A:503 |
6 |
1 |
821 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
24979 |
71.3 |
-1.7 |
0.538 |
0 |
0 |
0 |
0.028 |
25 |
|
[HEM]D:503 |
6 |
1 |
819 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25062 |
70.3 |
-1.6 |
0.545 |
0 |
0 |
0 |
0.028 |
26 |
|
[HEM]B:503 |
6 |
1 |
819 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
24968 |
69.7 |
-1.6 |
0.561 |
0 |
0 |
0 |
0.028 |
| Average: |
70.8 |
-1.6 |
0.548 |
0 |
0 |
0 |
0.028 |
| 18 |
27 |
|
B |
7 |
2 |
24957 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
7 |
2 |
25062 |
57.0 |
-0.4 |
0.471 |
1 |
1 |
0 |
0.000 |
| 19 |
28 |
|
[SO4]D:2 |
5 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
24968 |
53.9 |
-7.0 |
0.628 |
0 |
0 |
0 |
0.082 |
| 20 |
29 |
|
[SO4]D:2 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
25062 |
52.4 |
-7.1 |
0.637 |
0 |
0 |
0 |
0.083 |
| 21 |
30 |
|
[SO4]A:1 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
24957 |
52.3 |
-7.3 |
0.577 |
0 |
0 |
0 |
0.082 |
| 22 |
31 |
|
[HEM]D:503 |
20 |
1 |
819 |
f |
[AZI]D:504 |
x,y,z |
1_555 |
3 |
1 |
168 |
52.1 |
-0.9 |
0.509 |
0 |
0 |
0 |
0.011 |
| 23 |
32 |
|
C |
3 |
1 |
24968 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
6 |
3 |
24957 |
50.8 |
-1.2 |
0.129 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[HEM]B:503 |
21 |
1 |
819 |
f |
[AZI]B:504 |
x,y,z |
1_555 |
3 |
1 |
168 |
50.8 |
-1.0 |
0.509 |
0 |
0 |
0 |
0.011 |
| 25 |
34 |
|
[HEM]A:503 |
19 |
1 |
821 |
f |
[AZI]A:504 |
x,y,z |
1_555 |
3 |
1 |
169 |
49.9 |
-1.0 |
0.509 |
0 |
0 |
0 |
0.011 |
| 26 |
35 |
|
[HEM]C:503 |
18 |
1 |
816 |
f |
[AZI]C:504 |
x,y,z |
1_555 |
3 |
1 |
169 |
49.3 |
-0.9 |
0.385 |
0 |
0 |
0 |
0.011 |
| 27 |
36 |
|
[SO4]A:1 |
5 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
24979 |
49.2 |
-6.4 |
0.638 |
0 |
0 |
0 |
0.072 |
| 28 |
37 |
|
A |
5 |
2 |
25062 |
◊ |
C |
x-y,x-1,z+1/6 |
6_545 |
2 |
2 |
24968 |
39.1 |
0.2 |
0.655 |
1 |
0 |
0 |
0.000 |
| 29 |
38 |
|
B |
3 |
1 |
24957 |
◊ |
A |
x-y,x-1,z+1/6 |
6_545 |
2 |
1 |
25062 |
35.7 |
-0.3 |
0.263 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[SO4]D:2 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
24979 |
34.0 |
-3.2 |
0.977 |
1 |
0 |
0 |
0.030 |
| 31 |
40 |
|
[SO4]A:1 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
25062 |
32.6 |
-3.0 |
0.978 |
2 |
0 |
0 |
0.030 |
| 32 |
41 |
|
[SO4]A:1 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
24968 |
32.3 |
-3.2 |
0.970 |
2 |
0 |
0 |
0.034 |
| 33 |
42 |
|
[SO4]D:2 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
24957 |
31.8 |
-2.8 |
0.976 |
3 |
0 |
0 |
0.032 |
| 34 |
43 |
|
A |
1 |
1 |
25062 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
1 |
1 |
25062 |
21.8 |
-0.7 |
0.093 |
0 |
0 |
0 |
0.000 |
|