## |
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 |
365 |
98 |
28778 |
◊ |
A |
x,y,z |
1_555 |
365 |
98 |
29194 |
3458.2 |
-33.2 |
0.086 |
39 |
4 |
0 |
0.314 |
2 |
2 |
|
[HEM]A:801 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
85 |
31 |
29194 |
584.7 |
-19.8 |
0.569 |
5 |
0 |
0 |
0.268 |
3 |
|
[HEM]B:801 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
87 |
31 |
28778 |
579.3 |
-19.5 |
0.578 |
5 |
0 |
0 |
0.268 |
Average: |
582.0 |
-19.6 |
0.573 |
5 |
0 |
0 |
0.268 |
3 |
4 |
|
B |
45 |
16 |
28778 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
48 |
19 |
28778 |
377.4 |
-3.7 |
0.373 |
5 |
4 |
0 |
0.000 |
4 |
5 |
|
A |
40 |
13 |
29194 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
49 |
15 |
28778 |
376.4 |
-1.7 |
0.578 |
4 |
5 |
0 |
0.000 |
5 |
6 |
|
A |
34 |
13 |
29194 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
31 |
12 |
28778 |
300.2 |
0.2 |
0.726 |
3 |
2 |
0 |
0.000 |
6 |
7 |
|
[AMP]B:809 |
19 |
1 |
483 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
28778 |
193.7 |
-0.5 |
0.525 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[NIZ]B:806 |
10 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
28778 |
184.4 |
5.3 |
0.519 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
19 |
7 |
29194 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
6 |
28778 |
176.0 |
-1.0 |
0.511 |
2 |
3 |
0 |
0.000 |
9 |
10 |
|
[MPD]B:807 |
7 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
28778 |
169.2 |
-10.8 |
0.544 |
0 |
0 |
0 |
0.066 |
10 |
11 |
|
[MRD]A:807 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
29194 |
164.3 |
1.7 |
0.346 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
17 |
6 |
28778 |
f |
[AMP]B:809 |
x-1/2,-y-1/2,-z |
4_445 |
16 |
1 |
483 |
145.1 |
-1.2 |
0.526 |
3 |
0 |
0 |
0.016 |
12 |
13 |
|
[PO4]A:806 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29194 |
91.9 |
-4.1 |
0.942 |
5 |
0 |
0 |
0.039 |
13 |
14 |
|
[PO4]B:808 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
28778 |
91.8 |
-3.4 |
0.961 |
4 |
0 |
0 |
0.032 |
14 |
15 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
29194 |
80.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.127 |
16 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
28778 |
70.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
75.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.127 |
15 |
17 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29194 |
65.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.131 |
18 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
28778 |
63.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
64.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.131 |
16 |
19 |
|
[OXY]B:804 |
2 |
1 |
121 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
28778 |
49.7 |
1.6 |
0.966 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
29194 |
49.0 |
1.7 |
0.970 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[OXY]A:805 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
29194 |
45.8 |
0.8 |
0.875 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
[OXY]B:805 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
28778 |
44.5 |
0.8 |
0.881 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[OXY]B:804 |
2 |
1 |
121 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
11 |
1 |
813 |
37.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
21 |
24 |
|
[OXY]A:805 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
12 |
1 |
821 |
36.8 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.002 |
22 |
25 |
|
[OXY]B:805 |
2 |
1 |
120 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
15 |
1 |
813 |
36.4 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
23 |
26 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
12 |
1 |
821 |
36.3 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
24 |
27 |
|
[NIZ]B:806 |
3 |
1 |
294 |
f |
[CL]B:803 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
28 |
|
[OXY]B:805 |
1 |
1 |
120 |
f |
[OXY]B:804 |
x,y,z |
1_555 |
2 |
1 |
121 |
17.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[OXY]A:805 |
1 |
1 |
120 |
f |
[OXY]A:804 |
x,y,z |
1_555 |
2 |
1 |
120 |
16.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.020 |
28 |
31 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
29 |
32 |
|
[NIZ]B:806 |
3 |
1 |
294 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|