## |
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 |
194 |
55 |
16947 |
◊ |
A |
x,y,z |
1_555 |
190 |
54 |
16842 |
1839.2 |
-9.1 |
0.428 |
26 |
1 |
0 |
0.197 |
2 |
2 |
|
[HEM]A:426 |
43 |
1 |
805 |
f |
A |
x,y,z |
1_555 |
75 |
30 |
16842 |
552.4 |
-21.0 |
0.127 |
4 |
0 |
0 |
0.426 |
3 |
|
[HEM]B:926 |
43 |
1 |
807 |
f |
B |
x,y,z |
1_555 |
73 |
30 |
16947 |
547.0 |
-20.6 |
0.123 |
4 |
0 |
0 |
0.426 |
Average: |
549.7 |
-20.8 |
0.125 |
4 |
0 |
0 |
0.426 |
3 |
4 |
|
B |
50 |
15 |
16947 |
x |
B |
-x,y-1/2,-z+3/2 |
3_546 |
57 |
17 |
16947 |
490.4 |
5.4 |
0.905 |
12 |
2 |
0 |
0.000 |
5 |
|
A |
56 |
16 |
16842 |
x |
A |
-x-1,y-1/2,-z+3/2 |
3_446 |
52 |
15 |
16842 |
473.4 |
4.6 |
0.907 |
12 |
3 |
0 |
0.000 |
Average: |
481.9 |
5.0 |
0.906 |
12 |
3 |
0 |
0.000 |
4 |
6 |
|
[CHD]A:4 |
25 |
1 |
587 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
16842 |
378.1 |
2.5 |
0.227 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[CHD]B:924 |
25 |
1 |
582 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
16947 |
355.2 |
3.2 |
0.281 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
25 |
8 |
16842 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
25 |
9 |
16947 |
263.4 |
1.0 |
0.745 |
1 |
2 |
0 |
0.000 |
7 |
9 |
|
A |
21 |
9 |
16842 |
◊ |
B |
-x-1,y-1/2,-z+3/2 |
3_446 |
20 |
8 |
16947 |
194.1 |
1.1 |
0.764 |
1 |
2 |
0 |
0.000 |
10 |
|
A |
19 |
6 |
16842 |
◊ |
B |
-x,y-1/2,-z+3/2 |
3_546 |
19 |
7 |
16947 |
191.5 |
1.4 |
0.786 |
2 |
3 |
0 |
0.000 |
Average: |
192.8 |
1.3 |
0.775 |
2 |
3 |
0 |
0.000 |
8 |
11 |
|
[CHD]B:1 |
18 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
16947 |
181.7 |
2.2 |
0.303 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[CHD]A:3 |
16 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16842 |
175.0 |
-0.3 |
0.151 |
0 |
0 |
0 |
0.002 |
10 |
13 |
|
A |
15 |
5 |
16842 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
5 |
16947 |
174.0 |
-4.5 |
0.030 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[CHD]A:3 |
12 |
1 |
570 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
18 |
4 |
16947 |
156.0 |
1.1 |
0.235 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
A |
18 |
4 |
16842 |
◊ |
[CHD]B:1 |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
1 |
576 |
150.2 |
2.0 |
0.341 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[FES]A:501 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
16842 |
139.2 |
-16.8 |
0.470 |
1 |
0 |
0 |
0.321 |
17 |
|
[FES]B:501 |
4 |
1 |
238 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
16947 |
139.0 |
-16.7 |
0.479 |
0 |
0 |
0 |
0.321 |
Average: |
139.1 |
-16.7 |
0.474 |
1 |
0 |
0 |
0.321 |
14 |
18 |
|
A |
16 |
6 |
16842 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
5 |
16947 |
122.8 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[CHD]B:924 |
15 |
1 |
582 |
f |
[CHD]B:1 |
x,y,z |
1_555 |
9 |
1 |
576 |
95.7 |
0.5 |
0.142 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[GOL]A:1 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
16842 |
95.0 |
-1.0 |
0.421 |
0 |
0 |
0 |
0.009 |
17 |
21 |
|
[GOL]A:1 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
16947 |
91.7 |
-0.9 |
0.437 |
0 |
0 |
0 |
0.009 |
18 |
22 |
|
[SO4]B:925 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16947 |
91.5 |
-12.4 |
0.832 |
2 |
0 |
0 |
0.125 |
19 |
23 |
|
[IMD]B:3 |
5 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
16947 |
86.6 |
2.1 |
0.267 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[IMD]A:424 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16842 |
82.1 |
2.3 |
0.323 |
1 |
0 |
0 |
0.000 |
25 |
|
[IMD]B:2 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16947 |
80.2 |
2.1 |
0.288 |
0 |
0 |
0 |
0.000 |
Average: |
81.1 |
2.2 |
0.305 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[BCT]A:425 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16842 |
76.3 |
-0.2 |
0.430 |
2 |
0 |
0 |
0.010 |
22 |
27 |
|
[HEM]A:426 |
7 |
1 |
805 |
f |
[CHD]A:4 |
x,y,z |
1_555 |
4 |
1 |
587 |
70.7 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[CHD]A:4 |
11 |
1 |
587 |
f |
[CHD]A:3 |
x,y,z |
1_555 |
9 |
1 |
570 |
66.4 |
0.6 |
0.157 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[HEM]B:926 |
7 |
1 |
807 |
f |
[CHD]B:924 |
x,y,z |
1_555 |
6 |
1 |
582 |
62.9 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.004 |
25 |
30 |
|
[HEM]A:426 |
26 |
1 |
805 |
cf |
[IMD]A:424 |
x,y,z |
1_555 |
4 |
1 |
198 |
62.7 |
0.4 |
0.423 |
0 |
0 |
0 |
0.000 |
31 |
|
[HEM]B:926 |
25 |
1 |
807 |
cf |
[IMD]B:2 |
x,y,z |
1_555 |
5 |
1 |
198 |
61.2 |
0.5 |
0.287 |
0 |
0 |
0 |
0.000 |
Average: |
61.9 |
0.5 |
0.355 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[HEM]B:926 |
25 |
1 |
807 |
cf |
[IMD]B:3 |
x,y,z |
1_555 |
5 |
1 |
199 |
57.9 |
0.6 |
0.287 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[HEM]A:426 |
21 |
1 |
805 |
f |
[BCT]A:425 |
x,y,z |
1_555 |
4 |
1 |
163 |
42.3 |
-0.7 |
0.760 |
0 |
0 |
0 |
0.006 |
28 |
34 |
|
[SO4]B:925 |
3 |
1 |
185 |
f |
[CHD]B:924 |
x,y,z |
1_555 |
4 |
1 |
582 |
25.1 |
-2.6 |
0.586 |
0 |
0 |
0 |
0.025 |
29 |
35 |
|
[FES]B:501 |
2 |
1 |
238 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16842 |
17.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
36 |
|
[FES]A:501 |
2 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16947 |
17.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
17.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
30 |
37 |
|
[IMD]B:3 |
3 |
1 |
199 |
f |
[IMD]B:2 |
x,y,z |
1_555 |
3 |
1 |
198 |
16.4 |
0.1 |
0.008 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[BCT]A:425 |
1 |
1 |
163 |
f |
[IMD]A:424 |
x,y,z |
1_555 |
2 |
1 |
198 |
10.1 |
0.1 |
0.100 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[CHD]A:3 |
1 |
1 |
570 |
◊ |
[CHD]B:1 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
576 |
6.4 |
0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[SO4]B:925 |
1 |
1 |
185 |
f |
[HEM]B:926 |
x,y,z |
1_555 |
1 |
1 |
807 |
4.7 |
-0.8 |
0.562 |
0 |
0 |
0 |
0.008 |
|