## |
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 |
193 |
54 |
16880 |
◊ |
A |
x,y,z |
1_555 |
195 |
55 |
16833 |
1838.3 |
-9.1 |
0.427 |
27 |
4 |
0 |
0.166 |
2 |
2 |
|
[HEM]A:424 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
72 |
31 |
16833 |
556.6 |
-20.8 |
0.144 |
4 |
0 |
0 |
0.347 |
3 |
|
[HEM]B:926 |
43 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
70 |
30 |
16880 |
551.5 |
-20.8 |
0.119 |
4 |
0 |
0 |
0.347 |
Average: |
554.1 |
-20.8 |
0.132 |
4 |
0 |
0 |
0.347 |
3 |
4 |
|
B |
53 |
16 |
16880 |
x |
B |
-x,y-1/2,-z+3/2 |
3_546 |
49 |
15 |
16880 |
457.4 |
2.7 |
0.830 |
9 |
1 |
0 |
0.000 |
5 |
|
A |
56 |
18 |
16833 |
x |
A |
-x-1,y-1/2,-z+3/2 |
3_446 |
55 |
16 |
16833 |
449.8 |
3.6 |
0.872 |
11 |
1 |
0 |
0.000 |
Average: |
453.6 |
3.1 |
0.851 |
10 |
1 |
0 |
0.000 |
4 |
6 |
|
[CHD]B:1 |
25 |
1 |
585 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
16880 |
363.8 |
2.4 |
0.236 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[CHD]A:3 |
25 |
1 |
587 |
f |
A |
x,y,z |
1_555 |
48 |
16 |
16833 |
354.7 |
2.7 |
0.267 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
24 |
7 |
16833 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
23 |
10 |
16880 |
237.2 |
0.2 |
0.667 |
1 |
2 |
0 |
0.000 |
7 |
9 |
|
A |
22 |
8 |
16833 |
◊ |
B |
-x-1,y-1/2,-z+3/2 |
3_446 |
24 |
7 |
16880 |
215.4 |
2.0 |
0.786 |
5 |
4 |
0 |
0.000 |
10 |
|
A |
22 |
6 |
16833 |
◊ |
B |
-x,y-1/2,-z+3/2 |
3_546 |
19 |
8 |
16880 |
214.9 |
1.4 |
0.781 |
2 |
3 |
0 |
0.000 |
Average: |
215.2 |
1.7 |
0.784 |
4 |
4 |
0 |
0.000 |
8 |
11 |
|
[CHD]B:2 |
18 |
1 |
585 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
16880 |
179.2 |
1.7 |
0.198 |
0 |
0 |
0 |
0.000 |
12 |
|
[CHD]A:4 |
17 |
1 |
588 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16833 |
145.5 |
1.2 |
0.233 |
0 |
0 |
0 |
0.000 |
Average: |
162.3 |
1.5 |
0.215 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
14 |
5 |
16833 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
18 |
5 |
16880 |
176.3 |
-4.4 |
0.033 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
17 |
4 |
16833 |
◊ |
[CHD]B:2 |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
1 |
585 |
156.6 |
1.8 |
0.266 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[FES]A:501 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
16833 |
141.9 |
-16.9 |
0.453 |
0 |
0 |
0 |
0.258 |
16 |
|
[FES]B:502 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
16880 |
140.1 |
-16.7 |
0.470 |
0 |
0 |
0 |
0.258 |
Average: |
141.0 |
-16.8 |
0.462 |
0 |
0 |
0 |
0.258 |
12 |
17 |
|
[CHD]A:4 |
11 |
1 |
588 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
5 |
16880 |
120.3 |
1.4 |
0.307 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[CHD]A:4 |
9 |
1 |
588 |
f |
[CHD]A:3 |
x,y,z |
1_555 |
10 |
1 |
587 |
96.9 |
-1.3 |
0.079 |
0 |
0 |
0 |
0.010 |
14 |
19 |
|
[CHD]B:2 |
9 |
1 |
585 |
f |
[CHD]B:1 |
x,y,z |
1_555 |
12 |
1 |
585 |
95.2 |
-1.8 |
0.058 |
0 |
0 |
0 |
0.013 |
15 |
20 |
|
[GOL]B:924 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16833 |
93.7 |
-1.0 |
0.396 |
3 |
0 |
0 |
0.018 |
16 |
21 |
|
[SO4]B:927 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16880 |
93.4 |
-12.5 |
0.823 |
2 |
0 |
0 |
0.103 |
17 |
22 |
|
[GOL]B:924 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
16880 |
92.0 |
-0.6 |
0.466 |
1 |
0 |
0 |
0.008 |
18 |
23 |
|
[SO4]A:425 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16833 |
92.0 |
-12.7 |
0.838 |
3 |
0 |
0 |
0.108 |
19 |
24 |
|
[IMD]B:3 |
5 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
16880 |
89.0 |
2.3 |
0.289 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[IMD]A:2 |
5 |
1 |
195 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16833 |
86.3 |
2.1 |
0.260 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[IMD]B:925 |
5 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16880 |
83.7 |
2.3 |
0.283 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[BCT]A:1 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16833 |
77.9 |
-0.1 |
0.428 |
2 |
0 |
0 |
0.008 |
23 |
28 |
|
[HEM]A:424 |
24 |
1 |
814 |
f |
[IMD]A:2 |
x,y,z |
1_555 |
4 |
1 |
195 |
64.2 |
0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
A |
11 |
4 |
16833 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
16880 |
63.9 |
0.9 |
0.777 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[HEM]B:926 |
26 |
1 |
814 |
f |
[IMD]B:925 |
x,y,z |
1_555 |
4 |
1 |
196 |
61.3 |
0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[HEM]B:926 |
6 |
1 |
814 |
f |
[CHD]B:1 |
x,y,z |
1_555 |
6 |
1 |
585 |
59.0 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.003 |
27 |
32 |
|
[HEM]A:424 |
5 |
1 |
814 |
f |
[CHD]A:3 |
x,y,z |
1_555 |
6 |
1 |
587 |
58.9 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.002 |
28 |
33 |
|
[HEM]B:926 |
24 |
1 |
814 |
f |
[IMD]B:3 |
x,y,z |
1_555 |
5 |
1 |
195 |
56.8 |
0.4 |
0.251 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[HEM]A:424 |
20 |
1 |
814 |
f |
[BCT]A:1 |
x,y,z |
1_555 |
4 |
1 |
163 |
43.0 |
-0.7 |
0.760 |
0 |
0 |
0 |
0.006 |
30 |
35 |
|
[SO4]B:927 |
3 |
1 |
186 |
f |
[CHD]B:1 |
x,y,z |
1_555 |
4 |
1 |
585 |
29.3 |
-3.1 |
0.655 |
0 |
0 |
0 |
0.024 |
31 |
36 |
|
[SO4]A:425 |
4 |
1 |
186 |
f |
[CHD]A:3 |
x,y,z |
1_555 |
4 |
1 |
587 |
23.7 |
-2.1 |
0.610 |
0 |
0 |
0 |
0.016 |
32 |
37 |
|
[FES]A:501 |
2 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16880 |
16.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
38 |
|
[FES]B:502 |
2 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16833 |
16.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
16.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
33 |
39 |
|
[IMD]B:925 |
2 |
1 |
196 |
f |
[IMD]B:3 |
x,y,z |
1_555 |
3 |
1 |
195 |
10.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[BCT]A:1 |
1 |
1 |
163 |
f |
[IMD]A:2 |
x,y,z |
1_555 |
1 |
1 |
195 |
7.6 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[SO4]A:425 |
1 |
1 |
186 |
f |
[HEM]A:424 |
x,y,z |
1_555 |
1 |
1 |
814 |
5.6 |
-1.0 |
0.546 |
0 |
0 |
0 |
0.008 |
36 |
42 |
|
[SO4]B:927 |
1 |
1 |
186 |
f |
[HEM]B:926 |
x,y,z |
1_555 |
1 |
1 |
814 |
2.7 |
-0.5 |
0.821 |
0 |
0 |
0 |
0.004 |
|