## |
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 |
364 |
98 |
28975 |
◊ |
A |
x,y,z |
1_555 |
367 |
97 |
29289 |
3460.8 |
-36.3 |
0.043 |
41 |
4 |
0 |
0.302 |
2 |
2 |
|
[HEM]B:801 |
43 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
85 |
30 |
28975 |
548.4 |
-18.4 |
0.589 |
5 |
0 |
0 |
0.227 |
3 |
|
[HEM]A:801 |
43 |
1 |
815 |
f |
A |
x,y,z |
1_555 |
85 |
30 |
29289 |
546.6 |
-18.5 |
0.576 |
5 |
0 |
0 |
0.227 |
Average: |
547.5 |
-18.4 |
0.582 |
5 |
0 |
0 |
0.227 |
3 |
4 |
|
A |
38 |
13 |
29289 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
48 |
14 |
28975 |
387.0 |
-1.3 |
0.607 |
4 |
5 |
0 |
0.000 |
4 |
5 |
|
B |
40 |
17 |
28975 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
48 |
21 |
28975 |
376.1 |
-4.6 |
0.231 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
28 |
12 |
29289 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
30 |
11 |
28975 |
292.6 |
0.1 |
0.668 |
4 |
2 |
0 |
0.000 |
6 |
7 |
|
[NIZ]B:805 |
10 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
28975 |
184.7 |
5.3 |
0.482 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[MPD]B:807 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
28975 |
171.3 |
-10.7 |
0.545 |
0 |
0 |
0 |
0.059 |
8 |
9 |
|
[MPD]A:807 |
7 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
29289 |
170.3 |
-10.5 |
0.556 |
2 |
0 |
0 |
0.063 |
9 |
10 |
|
[NIZ]B:806 |
10 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
28975 |
157.1 |
3.4 |
0.485 |
1 |
0 |
0 |
0.000 |
11 |
|
[NIZ]A:805 |
10 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
29289 |
156.3 |
3.4 |
0.438 |
1 |
0 |
0 |
0.000 |
Average: |
156.7 |
3.4 |
0.462 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
17 |
6 |
29289 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
13 |
5 |
28975 |
156.2 |
-0.2 |
0.624 |
4 |
3 |
0 |
0.000 |
11 |
13 |
|
[MPD]A:806 |
6 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
29289 |
114.2 |
-7.1 |
0.649 |
0 |
0 |
0 |
0.039 |
12 |
14 |
|
[PO4]B:809 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
28975 |
91.6 |
-3.2 |
0.961 |
5 |
0 |
0 |
0.030 |
13 |
15 |
|
[PO4]A:808 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29289 |
90.3 |
-3.5 |
0.959 |
6 |
0 |
0 |
0.034 |
14 |
16 |
|
[NIZ]B:806 |
10 |
1 |
297 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
20 |
1 |
816 |
87.2 |
0.1 |
0.147 |
0 |
0 |
0 |
0.000 |
17 |
|
[NIZ]A:805 |
10 |
1 |
296 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
21 |
1 |
815 |
86.8 |
0.1 |
0.124 |
0 |
0 |
0 |
0.000 |
Average: |
87.0 |
0.1 |
0.135 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[MPD]B:808 |
4 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
28975 |
87.2 |
-5.4 |
0.676 |
0 |
0 |
0 |
0.030 |
16 |
19 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
29289 |
80.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.113 |
20 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
28975 |
70.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
75.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.113 |
17 |
21 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29289 |
65.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.115 |
22 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
28975 |
62.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
63.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.115 |
18 |
23 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
29289 |
40.0 |
0.7 |
0.855 |
2 |
0 |
0 |
0.001 |
19 |
24 |
|
[OXY]B:804 |
2 |
1 |
121 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28975 |
39.2 |
0.7 |
0.867 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
A |
7 |
5 |
29289 |
◊ |
[MPD]B:808 |
-x-1/2,-y-1,z-1/2 |
2_444 |
4 |
1 |
276 |
38.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[OXY]B:804 |
2 |
1 |
121 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
12 |
1 |
816 |
31.2 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.002 |
22 |
27 |
|
[OXY]A:804 |
2 |
1 |
120 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
12 |
1 |
815 |
30.6 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
23 |
28 |
|
[NIZ]B:806 |
5 |
1 |
297 |
cf |
[OXY]B:804 |
x,y,z |
1_555 |
2 |
1 |
121 |
30.2 |
0.9 |
0.170 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[NIZ]A:805 |
5 |
1 |
296 |
f |
[OXY]A:804 |
x,y,z |
1_555 |
2 |
1 |
120 |
28.8 |
0.8 |
0.142 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
[NIZ]B:805 |
2 |
1 |
295 |
f |
[CL]B:803 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
26 |
31 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.018 |
27 |
32 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
33 |
|
[NIZ]B:805 |
4 |
1 |
295 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
29 |
34 |
|
[MPD]A:807 |
1 |
1 |
270 |
f |
[NIZ]A:805 |
x,y,z |
1_555 |
1 |
1 |
296 |
1.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|