## |
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 |
|
C |
635 |
156 |
34052 |
◊ |
B |
x,y,z |
1_555 |
634 |
156 |
33961 |
5838.4 |
-36.3 |
0.382 |
86 |
43 |
0 |
0.666 |
2 |
|
D |
638 |
158 |
33901 |
◊ |
A |
x,y,z |
1_555 |
632 |
157 |
33996 |
5809.5 |
-35.0 |
0.377 |
90 |
42 |
0 |
0.666 |
Average: |
5823.9 |
-35.7 |
0.380 |
88 |
43 |
0 |
0.666 |
2 |
3 |
|
D |
597 |
139 |
33901 |
◊ |
B |
x,y,z |
1_555 |
603 |
140 |
33961 |
5606.7 |
-52.4 |
0.074 |
73 |
0 |
0 |
0.692 |
4 |
|
C |
603 |
141 |
34052 |
◊ |
A |
x,y,z |
1_555 |
608 |
141 |
33996 |
5593.7 |
-48.1 |
0.106 |
75 |
4 |
0 |
0.692 |
Average: |
5600.2 |
-50.3 |
0.090 |
74 |
2 |
0 |
0.692 |
3 |
5 |
|
B |
222 |
63 |
33961 |
◊ |
A |
x,y,z |
1_555 |
227 |
64 |
33996 |
1971.3 |
-9.3 |
0.579 |
36 |
5 |
0 |
0.416 |
6 |
|
D |
220 |
63 |
33901 |
◊ |
C |
x,y,z |
1_555 |
223 |
64 |
34052 |
1922.1 |
-6.5 |
0.676 |
39 |
7 |
0 |
0.416 |
Average: |
1946.7 |
-7.9 |
0.628 |
38 |
6 |
0 |
0.416 |
4 |
7 |
|
A |
67 |
18 |
33996 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
61 |
18 |
33961 |
566.6 |
-2.2 |
0.615 |
3 |
4 |
0 |
0.000 |
5 |
8 |
|
[HEM]C:760 |
43 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
90 |
29 |
34052 |
541.6 |
-15.6 |
0.675 |
5 |
0 |
0 |
0.568 |
9 |
|
[HEM]D:760 |
43 |
1 |
825 |
f |
D |
x,y,z |
1_555 |
91 |
31 |
33901 |
535.6 |
-15.6 |
0.683 |
5 |
0 |
0 |
0.568 |
10 |
|
[HEM]A:760 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
92 |
30 |
33996 |
534.9 |
-15.4 |
0.685 |
5 |
0 |
0 |
0.568 |
11 |
|
[HEM]B:760 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
90 |
31 |
33961 |
534.5 |
-15.6 |
0.691 |
5 |
0 |
0 |
0.568 |
Average: |
536.6 |
-15.6 |
0.684 |
5 |
0 |
0 |
0.568 |
6 |
12 |
|
A |
33 |
8 |
33996 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
10 |
33901 |
245.6 |
-1.8 |
0.492 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
30 |
13 |
34052 |
◊ |
A |
x,y,z-1 |
1_554 |
18 |
8 |
33996 |
234.0 |
-1.9 |
0.439 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
23 |
7 |
34052 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
21 |
9 |
33961 |
228.0 |
-0.3 |
0.434 |
2 |
1 |
0 |
0.000 |
9 |
15 |
|
A |
27 |
10 |
33996 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
9 |
33901 |
208.5 |
-0.7 |
0.620 |
3 |
2 |
0 |
0.000 |
10 |
16 |
|
C |
15 |
6 |
34052 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
13 |
6 |
33901 |
100.6 |
0.8 |
0.788 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[PEO]B:4003 |
2 |
1 |
126 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
33961 |
79.0 |
1.2 |
0.775 |
4 |
0 |
0 |
0.010 |
12 |
18 |
|
[PEO]C:5003 |
2 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
34052 |
77.9 |
1.2 |
0.767 |
4 |
0 |
0 |
0.010 |
13 |
19 |
|
[PEO]D:6003 |
2 |
1 |
126 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
33901 |
76.0 |
1.2 |
0.769 |
4 |
0 |
0 |
0.009 |
14 |
20 |
|
[HEM]B:760 |
8 |
1 |
820 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
34052 |
74.1 |
-2.0 |
0.484 |
0 |
0 |
0 |
0.033 |
21 |
|
[HEM]D:760 |
8 |
1 |
825 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
33996 |
74.0 |
-2.0 |
0.461 |
0 |
0 |
0 |
0.033 |
22 |
|
[HEM]C:760 |
8 |
1 |
820 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
33961 |
73.3 |
-2.0 |
0.475 |
0 |
0 |
0 |
0.033 |
23 |
|
[HEM]A:760 |
8 |
1 |
818 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
33901 |
72.9 |
-2.0 |
0.475 |
0 |
0 |
0 |
0.033 |
Average: |
73.6 |
-2.0 |
0.474 |
0 |
0 |
0 |
0.033 |
15 |
24 |
|
[PEO]A:3003 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
33996 |
73.8 |
1.2 |
0.759 |
4 |
0 |
0 |
0.009 |
16 |
25 |
|
[PEO]D:3004 |
2 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
33996 |
57.2 |
0.6 |
0.786 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[PEO]B:4002 |
2 |
1 |
126 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
33961 |
53.9 |
0.5 |
0.779 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[PEO]A:3001 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
33996 |
53.1 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[PEO]C:5002 |
2 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
34052 |
52.2 |
0.6 |
0.780 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
[PEO]D:3004 |
2 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
33901 |
52.2 |
0.8 |
0.837 |
4 |
0 |
0 |
0.016 |
21 |
30 |
|
[PEO]D:6001 |
2 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
33901 |
49.9 |
0.6 |
0.802 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[PEO]B:4001 |
2 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
33961 |
48.1 |
0.9 |
0.833 |
2 |
0 |
0 |
0.001 |
32 |
|
[PEO]A:3002 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
33996 |
46.6 |
0.8 |
0.818 |
2 |
0 |
0 |
0.001 |
Average: |
47.3 |
0.8 |
0.825 |
2 |
0 |
0 |
0.001 |
23 |
33 |
|
[PEO]C:5001 |
2 |
1 |
124 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
34052 |
46.2 |
0.8 |
0.817 |
3 |
0 |
0 |
0.008 |
24 |
34 |
|
[PEO]D:6002 |
2 |
1 |
126 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
33901 |
45.8 |
0.8 |
0.830 |
2 |
0 |
0 |
0.000 |
25 |
35 |
|
C |
7 |
4 |
34052 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
4 |
33901 |
38.3 |
-0.3 |
0.455 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[PEO]B:4002 |
2 |
1 |
126 |
f |
[HEM]B:760 |
x,y,z |
1_555 |
19 |
1 |
820 |
35.7 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.003 |
27 |
37 |
|
C |
2 |
1 |
34052 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
2 |
33996 |
33.4 |
0.5 |
0.826 |
0 |
1 |
0 |
0.000 |
28 |
38 |
|
[PEO]A:3001 |
2 |
1 |
125 |
f |
[HEM]A:760 |
x,y,z |
1_555 |
19 |
1 |
818 |
33.2 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.002 |
29 |
39 |
|
[PEO]C:5002 |
2 |
1 |
125 |
f |
[HEM]C:760 |
x,y,z |
1_555 |
18 |
1 |
820 |
32.7 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.001 |
30 |
40 |
|
[PEO]D:6001 |
2 |
1 |
125 |
f |
[HEM]D:760 |
x,y,z |
1_555 |
17 |
1 |
825 |
31.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.003 |
31 |
41 |
|
B |
4 |
2 |
33961 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
33901 |
31.6 |
0.9 |
0.878 |
1 |
0 |
0 |
0.000 |
32 |
42 |
|
[PEO]B:4001 |
2 |
1 |
125 |
f |
[HEM]B:760 |
x,y,z |
1_555 |
13 |
1 |
820 |
30.0 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.002 |
43 |
|
[PEO]A:3002 |
2 |
1 |
125 |
f |
[HEM]A:760 |
x,y,z |
1_555 |
10 |
1 |
818 |
28.7 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.002 |
Average: |
29.4 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.002 |
33 |
44 |
|
[PEO]D:6002 |
2 |
1 |
126 |
f |
[HEM]D:760 |
x,y,z |
1_555 |
12 |
1 |
825 |
29.3 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.001 |
34 |
45 |
|
C |
4 |
2 |
34052 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
2 |
33901 |
28.4 |
0.1 |
0.584 |
1 |
0 |
0 |
0.000 |
35 |
46 |
|
B |
3 |
3 |
33961 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
4 |
33996 |
27.3 |
0.7 |
0.827 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[PEO]C:5001 |
2 |
1 |
124 |
f |
[HEM]C:760 |
x,y,z |
1_555 |
11 |
1 |
820 |
27.2 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.001 |
37 |
48 |
|
[PEO]D:6002 |
2 |
1 |
126 |
f |
[PEO]D:6001 |
x,y,z |
1_555 |
2 |
1 |
125 |
22.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[PEO]C:5002 |
2 |
1 |
125 |
f |
[PEO]C:5001 |
x,y,z |
1_555 |
2 |
1 |
124 |
21.1 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
39 |
50 |
|
[PEO]A:3002 |
2 |
1 |
125 |
f |
[PEO]A:3001 |
x,y,z |
1_555 |
2 |
1 |
125 |
20.1 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
40 |
51 |
|
B |
2 |
2 |
33961 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
34052 |
19.2 |
0.6 |
0.867 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[PEO]B:4002 |
2 |
1 |
126 |
f |
[PEO]B:4001 |
x,y,z |
1_555 |
2 |
1 |
125 |
18.3 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
42 |
53 |
|
B |
2 |
2 |
33961 |
◊ |
D |
x-1,y,z-1 |
1_454 |
5 |
2 |
33901 |
17.5 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
A |
2 |
1 |
33996 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
34052 |
6.7 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
|