| ## |
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 |
97 |
21 |
6398 |
◊ |
C |
x,y,z |
1_555 |
99 |
23 |
6370 |
781.4 |
-11.0 |
0.143 |
4 |
4 |
0 |
0.161 |
2 |
|
B |
95 |
22 |
6340 |
◊ |
A |
x,y,z |
1_555 |
97 |
23 |
6261 |
757.9 |
-10.1 |
0.163 |
1 |
4 |
0 |
0.161 |
| Average: |
769.6 |
-10.6 |
0.153 |
3 |
4 |
0 |
0.161 |
| 2 |
3 |
|
[HEM]C:150 |
43 |
1 |
822 |
cf |
C |
x,y,z |
1_555 |
71 |
20 |
6370 |
577.8 |
-20.9 |
0.291 |
0 |
0 |
0 |
0.494 |
4 |
|
[HEM]B:150 |
43 |
1 |
819 |
cf |
B |
x,y,z |
1_555 |
71 |
21 |
6340 |
567.6 |
-20.5 |
0.310 |
0 |
0 |
0 |
0.494 |
5 |
|
[HEM]D:150 |
43 |
1 |
816 |
cf |
D |
x,y,z |
1_555 |
68 |
21 |
6398 |
562.6 |
-20.2 |
0.326 |
0 |
0 |
0 |
0.494 |
6 |
|
[HEM]A:150 |
43 |
1 |
810 |
cf |
A |
x,y,z |
1_555 |
66 |
20 |
6261 |
545.1 |
-21.0 |
0.232 |
1 |
0 |
0 |
0.494 |
| Average: |
563.3 |
-20.7 |
0.290 |
0 |
0 |
0 |
0.494 |
| 3 |
7 |
|
D |
40 |
11 |
6398 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
6340 |
367.8 |
-1.4 |
0.528 |
2 |
2 |
0 |
0.018 |
8 |
|
C |
42 |
9 |
6370 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
6261 |
364.1 |
-0.5 |
0.602 |
2 |
1 |
0 |
0.018 |
| Average: |
365.9 |
-1.0 |
0.565 |
2 |
2 |
0 |
0.018 |
| 4 |
9 |
|
B |
43 |
14 |
6340 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
12 |
6370 |
358.6 |
-0.5 |
0.610 |
6 |
2 |
0 |
0.016 |
| 5 |
10 |
|
C |
42 |
12 |
6370 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
6340 |
358.1 |
-3.2 |
0.364 |
0 |
0 |
0 |
0.014 |
| 6 |
11 |
|
C |
29 |
10 |
6370 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
33 |
8 |
6261 |
279.2 |
1.4 |
0.749 |
2 |
4 |
0 |
0.000 |
| 7 |
12 |
|
A |
24 |
10 |
6261 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
6 |
6261 |
226.7 |
-0.8 |
0.535 |
2 |
1 |
0 |
0.000 |
| 8 |
13 |
|
B |
28 |
6 |
6340 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
29 |
8 |
6398 |
217.8 |
0.6 |
0.691 |
1 |
2 |
0 |
0.000 |
| 9 |
14 |
|
A |
22 |
6 |
6261 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
7 |
6398 |
199.0 |
0.9 |
0.726 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
A |
25 |
7 |
6261 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
25 |
6 |
6398 |
183.2 |
0.7 |
0.706 |
2 |
2 |
0 |
0.002 |
| 11 |
16 |
|
D |
21 |
7 |
6398 |
x |
D |
-x,y-1/2,-z+3/2 |
3_546 |
20 |
8 |
6398 |
182.5 |
-0.7 |
0.462 |
1 |
1 |
0 |
0.000 |
| 12 |
17 |
|
B |
18 |
5 |
6340 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
5 |
6398 |
153.4 |
-1.8 |
0.293 |
0 |
0 |
0 |
0.017 |
18 |
|
A |
16 |
5 |
6261 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
19 |
5 |
6370 |
143.1 |
-1.9 |
0.235 |
0 |
0 |
0 |
0.017 |
| Average: |
148.3 |
-1.8 |
0.264 |
0 |
0 |
0 |
0.017 |
| 13 |
19 |
|
B |
17 |
6 |
6340 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
5 |
6398 |
137.7 |
-0.4 |
0.539 |
1 |
0 |
0 |
0.008 |
| 14 |
20 |
|
[SO4]A:503 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
6261 |
89.2 |
-14.8 |
0.657 |
3 |
0 |
0 |
0.157 |
| 15 |
21 |
|
[SO4]D:502 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
6398 |
79.9 |
-11.5 |
0.633 |
3 |
0 |
0 |
0.154 |
| 16 |
22 |
|
A |
11 |
4 |
6261 |
◊ |
[HEM]D:150 |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
1 |
816 |
77.6 |
-2.8 |
0.694 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
B |
10 |
5 |
6340 |
f |
[SO4]C:500 |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
181 |
76.3 |
-11.2 |
0.658 |
2 |
0 |
0 |
0.109 |
| 18 |
24 |
|
[SO4]B:504 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6340 |
75.4 |
-11.3 |
0.744 |
1 |
0 |
0 |
0.106 |
| 19 |
25 |
|
[SO4]C:508 |
5 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6370 |
74.1 |
-11.5 |
0.669 |
2 |
0 |
0 |
0.148 |
| 20 |
26 |
|
[SO4]B:505 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
6340 |
71.2 |
-10.0 |
0.738 |
2 |
0 |
0 |
0.098 |
| 21 |
27 |
|
[SO4]C:507 |
5 |
1 |
181 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
6261 |
65.7 |
-8.6 |
0.772 |
1 |
0 |
0 |
0.088 |
| 22 |
28 |
|
[SO4]B:504 |
5 |
1 |
182 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
4 |
6398 |
64.7 |
-8.9 |
0.766 |
2 |
0 |
0 |
0.088 |
| 23 |
29 |
|
[SO4]C:506 |
5 |
1 |
181 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
6261 |
55.1 |
-5.1 |
0.927 |
1 |
0 |
0 |
0.054 |
| 24 |
30 |
|
[SO4]C:507 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6370 |
54.8 |
-6.8 |
0.780 |
1 |
0 |
0 |
0.070 |
| 25 |
31 |
|
[SO4]B:501 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6340 |
54.5 |
-5.6 |
0.926 |
3 |
0 |
0 |
0.062 |
| 26 |
32 |
|
[HEM]A:150 |
5 |
1 |
810 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
6398 |
47.2 |
-1.7 |
0.618 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[SO4]C:506 |
4 |
1 |
181 |
◊ |
[HEM]A:150 |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
1 |
810 |
42.5 |
-6.0 |
0.991 |
0 |
0 |
0 |
0.058 |
| 28 |
34 |
|
[SO4]C:506 |
3 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
6370 |
38.0 |
-2.7 |
0.972 |
2 |
0 |
0 |
0.043 |
| 29 |
35 |
|
[SO4]C:500 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6370 |
37.9 |
-3.6 |
0.918 |
1 |
0 |
0 |
0.018 |
| 30 |
36 |
|
[SO4]B:505 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6370 |
37.8 |
-3.9 |
0.928 |
0 |
0 |
0 |
0.017 |
| 31 |
37 |
|
[SO4]A:503 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6370 |
34.4 |
-3.5 |
0.904 |
1 |
0 |
0 |
0.017 |
| 32 |
38 |
|
D |
6 |
5 |
6398 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
2 |
6261 |
32.1 |
0.6 |
0.744 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[SO4]B:501 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6370 |
28.4 |
-2.8 |
0.954 |
1 |
0 |
0 |
0.014 |
| 34 |
40 |
|
B |
3 |
1 |
6340 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
6261 |
26.4 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[HEM]B:150 |
3 |
1 |
819 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
4 |
2 |
6398 |
24.2 |
-1.2 |
0.544 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[HEM]A:150 |
3 |
1 |
810 |
◊ |
[HEM]D:150 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
816 |
19.1 |
-2.0 |
0.265 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[SO4]B:505 |
3 |
1 |
183 |
f |
[SO4]B:501 |
x,y,z |
1_555 |
2 |
1 |
182 |
15.5 |
-3.6 |
0.976 |
0 |
0 |
0 |
0.032 |
| 38 |
44 |
|
[HEM]C:150 |
2 |
1 |
822 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
6261 |
15.4 |
-0.8 |
0.511 |
0 |
0 |
0 |
0.008 |
| 39 |
45 |
|
[SO4]D:502 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6340 |
13.5 |
-0.9 |
0.946 |
0 |
0 |
0 |
0.004 |
| 40 |
46 |
|
[SO4]A:503 |
3 |
1 |
182 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6398 |
13.3 |
-1.8 |
0.444 |
0 |
0 |
0 |
0.008 |
| 41 |
47 |
|
C |
2 |
1 |
6370 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
6261 |
11.0 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[HEM]B:150 |
6 |
1 |
819 |
f |
[SO4]B:501 |
x,y,z |
1_555 |
1 |
1 |
182 |
9.4 |
-1.3 |
0.894 |
0 |
0 |
0 |
0.012 |
| 43 |
49 |
|
[SO4]C:508 |
1 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6261 |
6.4 |
-0.9 |
0.529 |
0 |
0 |
0 |
0.004 |
| 44 |
50 |
|
C |
1 |
1 |
6370 |
◊ |
D |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
6398 |
5.7 |
0.2 |
0.823 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
C |
2 |
1 |
6370 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6370 |
5.7 |
0.3 |
0.797 |
0 |
0 |
0 |
0.000 |
|