## |
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 |
370 |
98 |
29411 |
◊ |
A |
x,y,z |
1_555 |
369 |
98 |
29582 |
3531.7 |
-35.8 |
0.057 |
42 |
4 |
0 |
0.259 |
2 |
2 |
|
[HEM]B:801 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
86 |
30 |
29411 |
574.7 |
-19.3 |
0.590 |
5 |
0 |
0 |
0.202 |
3 |
|
[HEM]A:801 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
85 |
30 |
29582 |
570.0 |
-19.2 |
0.578 |
5 |
0 |
0 |
0.202 |
Average: |
572.4 |
-19.2 |
0.584 |
5 |
0 |
0 |
0.202 |
3 |
4 |
|
B |
46 |
17 |
29411 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
50 |
21 |
29411 |
415.0 |
-3.5 |
0.395 |
4 |
4 |
0 |
0.000 |
4 |
5 |
|
A |
40 |
13 |
29582 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
47 |
14 |
29411 |
380.3 |
-1.9 |
0.555 |
2 |
3 |
0 |
0.000 |
5 |
6 |
|
A |
30 |
13 |
29582 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
30 |
12 |
29411 |
283.6 |
-0.2 |
0.638 |
4 |
2 |
0 |
0.000 |
6 |
7 |
|
[NIZ]A:809 |
10 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
29582 |
187.2 |
4.9 |
0.482 |
2 |
0 |
0 |
0.000 |
8 |
|
[NIZ]B:809 |
10 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
29411 |
185.0 |
5.0 |
0.487 |
3 |
0 |
0 |
0.000 |
Average: |
186.1 |
5.0 |
0.485 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
[NIZ]A:810 |
10 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
29582 |
170.7 |
3.7 |
0.435 |
1 |
0 |
0 |
0.000 |
10 |
|
[NIZ]B:810 |
10 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
29411 |
170.5 |
3.8 |
0.462 |
1 |
0 |
0 |
0.000 |
Average: |
170.6 |
3.7 |
0.449 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[MPD]B:804 |
7 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
29411 |
166.1 |
-10.5 |
0.552 |
0 |
0 |
0 |
0.049 |
9 |
12 |
|
A |
17 |
6 |
29582 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
6 |
29411 |
161.4 |
-0.2 |
0.639 |
3 |
3 |
0 |
0.000 |
10 |
13 |
|
[MPD]A:805 |
7 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
29582 |
159.3 |
-10.2 |
0.531 |
1 |
0 |
0 |
0.050 |
11 |
14 |
|
[MPD]B:806 |
7 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
29411 |
126.9 |
-8.2 |
0.681 |
3 |
0 |
0 |
0.045 |
12 |
15 |
|
[MPD]A:806 |
6 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
29582 |
125.5 |
-7.2 |
0.817 |
0 |
0 |
0 |
0.034 |
13 |
16 |
|
[MPD]B:805 |
7 |
1 |
276 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
8 |
29411 |
117.1 |
-8.0 |
0.515 |
0 |
0 |
0 |
0.038 |
14 |
17 |
|
[MPD]A:804 |
5 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
29582 |
108.1 |
-6.8 |
0.638 |
0 |
0 |
0 |
0.032 |
15 |
18 |
|
[MPD]B:807 |
5 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
29411 |
99.7 |
-6.5 |
0.550 |
0 |
0 |
0 |
0.031 |
16 |
19 |
|
[MPD]B:807 |
6 |
1 |
281 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
5 |
29411 |
95.1 |
-5.7 |
0.768 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[NIZ]A:810 |
10 |
1 |
299 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
22 |
1 |
824 |
92.6 |
0.0 |
0.110 |
0 |
0 |
0 |
0.000 |
21 |
|
[NIZ]B:810 |
10 |
1 |
296 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
21 |
1 |
822 |
88.3 |
-0.0 |
0.086 |
0 |
0 |
0 |
0.000 |
Average: |
90.4 |
0.0 |
0.098 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[PO4]B:808 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
29411 |
87.7 |
-3.1 |
0.959 |
4 |
0 |
0 |
0.023 |
19 |
23 |
|
[MPD]B:805 |
7 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
29411 |
87.2 |
-4.6 |
0.000 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[PO4]A:807 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29582 |
86.9 |
-2.9 |
0.961 |
5 |
0 |
0 |
0.024 |
21 |
25 |
|
[MPD]A:808 |
6 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
29582 |
85.3 |
-4.2 |
0.000 |
3 |
0 |
0 |
0.026 |
22 |
26 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
29411 |
70.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
29582 |
70.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
70.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.087 |
23 |
28 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29582 |
63.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.098 |
29 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
29411 |
62.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
63.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.098 |
24 |
30 |
|
[MPD]A:806 |
6 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
29411 |
62.4 |
-3.4 |
0.000 |
1 |
0 |
0 |
0.018 |
25 |
31 |
|
[MPD]B:807 |
4 |
1 |
281 |
◊ |
[MPD]B:805 |
x,y,z |
1_555 |
2 |
1 |
276 |
29.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[NIZ]B:809 |
3 |
1 |
290 |
f |
[CL]B:803 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.019 |
33 |
|
[NIZ]A:809 |
3 |
1 |
295 |
f |
[CL]A:803 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
25.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.019 |
27 |
34 |
|
[CL]A:803 |
1 |
1 |
125 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
35 |
|
[CL]B:803 |
1 |
1 |
125 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.013 |
29 |
36 |
|
[NIZ]B:810 |
2 |
1 |
296 |
f |
[MPD]B:804 |
x,y,z |
1_555 |
1 |
1 |
265 |
6.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[NIZ]B:809 |
3 |
1 |
290 |
f |
[NA]B:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
38 |
|
[NIZ]A:809 |
2 |
1 |
295 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
4.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|