## |
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 |
363 |
98 |
28870 |
◊ |
A |
x,y,z |
1_555 |
367 |
99 |
29193 |
3481.3 |
-31.2 |
0.112 |
39 |
9 |
0 |
0.329 |
2 |
2 |
|
[HEM]B:801 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
88 |
31 |
28870 |
584.8 |
-19.8 |
0.579 |
5 |
0 |
0 |
0.286 |
3 |
|
[HEM]A:801 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
87 |
31 |
29193 |
562.4 |
-19.0 |
0.562 |
5 |
0 |
0 |
0.286 |
Average: |
573.6 |
-19.4 |
0.570 |
5 |
0 |
0 |
0.286 |
3 |
4 |
|
A |
39 |
13 |
29193 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
48 |
14 |
28870 |
387.3 |
-1.7 |
0.563 |
2 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
43 |
16 |
28870 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
48 |
19 |
28870 |
379.9 |
-4.1 |
0.317 |
6 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
28 |
12 |
29193 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
31 |
12 |
28870 |
279.2 |
0.9 |
0.797 |
5 |
3 |
0 |
0.000 |
6 |
7 |
|
[MPD]A:807 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
29193 |
167.4 |
-9.9 |
0.563 |
1 |
0 |
0 |
0.069 |
7 |
8 |
|
[MPD]B:806 |
7 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
28870 |
167.0 |
-10.4 |
0.577 |
1 |
0 |
0 |
0.072 |
8 |
9 |
|
A |
18 |
6 |
29193 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
6 |
28870 |
161.4 |
-0.5 |
0.583 |
2 |
3 |
0 |
0.000 |
9 |
10 |
|
[PO4]A:805 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29193 |
90.4 |
-3.5 |
0.957 |
5 |
0 |
0 |
0.038 |
10 |
11 |
|
[MPD]A:808 |
4 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
29193 |
87.6 |
-5.7 |
0.649 |
1 |
0 |
0 |
0.040 |
11 |
12 |
|
[PO4]B:805 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
28870 |
79.5 |
-3.5 |
0.943 |
3 |
0 |
0 |
0.032 |
12 |
13 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28870 |
70.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.159 |
14 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
29193 |
69.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
69.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.159 |
13 |
15 |
|
[OXY]B:804 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28870 |
46.0 |
1.7 |
0.976 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[OXY]A:803 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
29193 |
42.1 |
1.5 |
0.968 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[OXY]A:804 |
2 |
1 |
121 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29193 |
39.1 |
0.7 |
0.889 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
[OXY]B:804 |
2 |
1 |
120 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
13 |
1 |
822 |
38.9 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
17 |
19 |
|
[O]B:803 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
28870 |
36.1 |
1.0 |
0.938 |
0 |
0 |
0 |
0.000 |
20 |
|
[O]A:806 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
29193 |
31.9 |
0.9 |
0.938 |
0 |
0 |
0 |
0.000 |
Average: |
34.0 |
0.9 |
0.938 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[OXY]A:803 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
13 |
1 |
818 |
35.1 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.002 |
19 |
22 |
|
[OXY]A:804 |
2 |
1 |
121 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
16 |
1 |
818 |
33.8 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
20 |
23 |
|
[O]B:803 |
1 |
1 |
99 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
15 |
1 |
822 |
31.1 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.006 |
24 |
|
[O]A:806 |
1 |
1 |
99 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
14 |
1 |
818 |
27.9 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.006 |
Average: |
29.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.006 |
21 |
25 |
|
[O]B:803 |
1 |
1 |
99 |
f |
[OXY]B:804 |
x,y,z |
1_555 |
1 |
1 |
120 |
16.0 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[O]A:806 |
1 |
1 |
99 |
f |
[OXY]A:804 |
x,y,z |
1_555 |
2 |
1 |
121 |
15.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[OXY]A:804 |
1 |
1 |
121 |
f |
[OXY]A:803 |
x,y,z |
1_555 |
2 |
1 |
120 |
15.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[O]A:806 |
1 |
1 |
99 |
f |
[OXY]A:803 |
x,y,z |
1_555 |
1 |
1 |
120 |
13.6 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
|