## |
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 |
59 |
19 |
9318 |
◊ |
B |
-x,-y+1,z |
2_565 |
59 |
19 |
9318 |
490.3 |
-5.0 |
0.245 |
6 |
2 |
0 |
0.075 |
2 |
|
A |
59 |
18 |
9334 |
◊ |
A |
-x,-y+1,z |
2_565 |
59 |
18 |
9334 |
482.7 |
-4.6 |
0.235 |
6 |
2 |
0 |
0.075 |
Average: |
486.5 |
-4.8 |
0.240 |
6 |
2 |
0 |
0.075 |
2 |
3 |
|
[HEM]A:301 |
42 |
1 |
828 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
9334 |
425.8 |
-16.4 |
0.204 |
4 |
0 |
0 |
0.347 |
4 |
|
[HEM]B:301 |
42 |
1 |
826 |
f |
B |
x,y,z |
1_555 |
58 |
22 |
9318 |
422.1 |
-16.2 |
0.206 |
5 |
0 |
0 |
0.347 |
Average: |
423.9 |
-16.3 |
0.205 |
5 |
0 |
0 |
0.347 |
3 |
5 |
|
A |
45 |
16 |
9334 |
◊ |
B |
-y+1/2,x+1/2,z+1/2 |
3_555 |
45 |
16 |
9318 |
414.1 |
-6.0 |
0.130 |
5 |
0 |
0 |
0.069 |
4 |
6 |
|
B |
41 |
14 |
9318 |
◊ |
A |
-x,-y+1,z |
2_565 |
43 |
14 |
9334 |
360.5 |
-2.4 |
0.374 |
4 |
0 |
0 |
0.032 |
5 |
7 |
|
A |
29 |
10 |
9334 |
◊ |
B |
y-1,x,-z |
7_455 |
35 |
10 |
9318 |
282.6 |
-0.6 |
0.580 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
15 |
7 |
9318 |
◊ |
A |
-y+1/2,x+1/2,z-1/2 |
3_554 |
16 |
8 |
9334 |
135.8 |
1.0 |
0.757 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[GOL]B:502 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
9318 |
131.1 |
-0.5 |
0.538 |
2 |
0 |
0 |
0.026 |
10 |
|
[GOL]A:506 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
9334 |
129.6 |
-0.3 |
0.570 |
2 |
0 |
0 |
0.026 |
Average: |
130.4 |
-0.4 |
0.554 |
2 |
0 |
0 |
0.026 |
8 |
11 |
|
[GOL]A:503 |
6 |
1 |
220 |
f |
B |
-y+1/2,x+1/2,z+1/2 |
3_555 |
16 |
7 |
9318 |
104.6 |
-1.0 |
0.396 |
1 |
0 |
0 |
0.029 |
12 |
|
A |
16 |
7 |
9334 |
f |
[GOL]B:501 |
-y+1/2,x+1/2,z+1/2 |
3_555 |
6 |
1 |
219 |
104.3 |
-1.1 |
0.393 |
1 |
0 |
0 |
0.029 |
Average: |
104.5 |
-1.1 |
0.394 |
1 |
0 |
0 |
0.029 |
9 |
13 |
|
[GOL]A:505 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9334 |
100.7 |
0.1 |
0.636 |
6 |
0 |
0 |
0.046 |
10 |
14 |
|
[HEM]B:301 |
11 |
1 |
826 |
◊ |
A |
-x,-y+1,z |
2_565 |
17 |
8 |
9334 |
99.4 |
-2.0 |
0.663 |
0 |
0 |
0 |
0.031 |
15 |
|
[HEM]A:301 |
11 |
1 |
828 |
◊ |
B |
-x,-y+1,z |
2_565 |
15 |
7 |
9318 |
98.8 |
-1.9 |
0.694 |
0 |
0 |
0 |
0.031 |
Average: |
99.1 |
-2.0 |
0.679 |
0 |
0 |
0 |
0.031 |
11 |
16 |
|
[SO4]A:510 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9334 |
85.6 |
-12.1 |
0.903 |
4 |
0 |
0 |
0.253 |
12 |
17 |
|
[HEM]B:301 |
11 |
1 |
826 |
◊ |
[HEM]A:301 |
-x,-y+1,z |
2_565 |
12 |
1 |
828 |
84.2 |
-2.7 |
0.988 |
0 |
0 |
0 |
0.021 |
13 |
18 |
|
B |
10 |
4 |
9318 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
9334 |
83.1 |
-0.6 |
0.374 |
0 |
0 |
0 |
0.004 |
14 |
19 |
|
[SO4]B:509 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9318 |
81.9 |
-11.8 |
0.884 |
4 |
0 |
0 |
0.255 |
15 |
20 |
|
[GOL]A:503 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
9334 |
74.9 |
0.4 |
0.663 |
4 |
0 |
0 |
0.023 |
21 |
|
[GOL]B:501 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
9318 |
73.5 |
0.4 |
0.668 |
4 |
0 |
0 |
0.023 |
Average: |
74.2 |
0.4 |
0.666 |
4 |
0 |
0 |
0.023 |
16 |
22 |
|
[GOL]A:504 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9334 |
74.7 |
1.2 |
0.752 |
3 |
0 |
0 |
0.002 |
17 |
23 |
|
B |
8 |
4 |
9318 |
f |
[GOL]A:504 |
-y+1/2,x+1/2,z-1/2 |
3_554 |
5 |
1 |
217 |
70.3 |
0.3 |
0.596 |
2 |
0 |
0 |
0.011 |
18 |
24 |
|
[HEM]B:301 |
5 |
1 |
826 |
◊ |
B |
-x,-y+1,z |
2_565 |
8 |
4 |
9318 |
66.2 |
-2.3 |
0.187 |
0 |
0 |
0 |
0.044 |
25 |
|
[HEM]A:301 |
5 |
1 |
828 |
◊ |
A |
-x,-y+1,z |
2_565 |
7 |
4 |
9334 |
66.2 |
-2.3 |
0.146 |
0 |
0 |
0 |
0.044 |
Average: |
66.2 |
-2.3 |
0.167 |
0 |
0 |
0 |
0.044 |
19 |
26 |
|
[SO4]B:507 |
5 |
1 |
186 |
f |
A |
-x,-y+1,z |
2_565 |
5 |
4 |
9334 |
61.3 |
-7.7 |
0.811 |
2 |
0 |
0 |
0.157 |
20 |
27 |
|
[SO4]B:508 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
9318 |
60.9 |
-7.6 |
0.806 |
2 |
0 |
0 |
0.160 |
21 |
28 |
|
[SO4]B:507 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9318 |
56.9 |
-8.0 |
0.566 |
1 |
0 |
0 |
0.066 |
22 |
29 |
|
[SO4]B:508 |
5 |
1 |
186 |
◊ |
A |
-x,-y+1,z |
2_565 |
8 |
3 |
9334 |
56.3 |
-7.9 |
0.568 |
1 |
0 |
0 |
0.065 |
23 |
30 |
|
[GOL]A:505 |
4 |
1 |
215 |
◊ |
B |
y-1,x,-z |
7_455 |
6 |
2 |
9318 |
52.4 |
-0.7 |
0.472 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[HEM]B:301 |
6 |
1 |
826 |
◊ |
[HEM]B:301 |
-x,-y+1,z |
2_565 |
6 |
1 |
826 |
47.3 |
-1.5 |
0.925 |
0 |
0 |
0 |
0.014 |
32 |
|
[HEM]A:301 |
6 |
1 |
828 |
◊ |
[HEM]A:301 |
-x,-y+1,z |
2_565 |
6 |
1 |
828 |
44.5 |
-1.4 |
0.935 |
0 |
0 |
0 |
0.014 |
Average: |
45.9 |
-1.5 |
0.930 |
0 |
0 |
0 |
0.014 |
25 |
33 |
|
[GOL]A:506 |
4 |
1 |
218 |
f |
[HEM]A:301 |
x,y,z |
1_555 |
5 |
1 |
828 |
45.2 |
-1.7 |
0.524 |
1 |
0 |
0 |
0.041 |
34 |
|
[GOL]B:502 |
4 |
1 |
220 |
f |
[HEM]B:301 |
x,y,z |
1_555 |
5 |
1 |
826 |
44.9 |
-1.7 |
0.520 |
1 |
0 |
0 |
0.041 |
Average: |
45.1 |
-1.7 |
0.522 |
1 |
0 |
0 |
0.041 |
26 |
35 |
|
[SO4]B:508 |
3 |
1 |
186 |
◊ |
[SO4]B:507 |
x,y,z |
1_555 |
3 |
1 |
186 |
29.3 |
-6.9 |
0.992 |
0 |
0 |
0 |
0.053 |
27 |
36 |
|
[HEM]B:301 |
2 |
1 |
826 |
◊ |
[HEM]A:301 |
x,y,z |
1_555 |
1 |
1 |
828 |
21.5 |
-0.7 |
0.405 |
0 |
0 |
0 |
0.005 |
28 |
37 |
|
[HEM]B:301 |
1 |
1 |
826 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
9334 |
12.2 |
-0.4 |
0.336 |
0 |
0 |
0 |
0.005 |
38 |
|
[HEM]A:301 |
1 |
1 |
828 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
9318 |
11.5 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.005 |
Average: |
11.8 |
-0.4 |
0.338 |
0 |
0 |
0 |
0.005 |
|