## |
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 |
|
[HEM]A:501 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
83 |
27 |
16859 |
585.1 |
-21.3 |
0.188 |
2 |
0 |
0 |
0.078 |
2 |
|
[HEM]C:501 |
42 |
1 |
813 |
f |
C |
x,y,z |
1_555 |
84 |
29 |
16545 |
582.1 |
-21.1 |
0.201 |
2 |
0 |
0 |
0.078 |
3 |
|
[HEM]D:501 |
43 |
1 |
811 |
f |
D |
x,y,z |
1_555 |
82 |
29 |
17018 |
580.6 |
-21.0 |
0.182 |
2 |
0 |
0 |
0.078 |
4 |
|
[HEM]B:501 |
42 |
1 |
809 |
f |
B |
x,y,z |
1_555 |
77 |
29 |
16796 |
580.2 |
-20.9 |
0.160 |
2 |
0 |
0 |
0.078 |
Average: |
582.0 |
-21.1 |
0.183 |
2 |
0 |
0 |
0.078 |
2 |
5 |
|
B |
54 |
19 |
16796 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
16859 |
513.2 |
-2.3 |
0.463 |
2 |
3 |
0 |
0.000 |
6 |
|
D |
44 |
15 |
17018 |
◊ |
C |
x,y,z |
1_555 |
47 |
16 |
16545 |
444.0 |
-0.9 |
0.572 |
5 |
5 |
0 |
0.000 |
Average: |
478.6 |
-1.6 |
0.518 |
4 |
4 |
0 |
0.000 |
3 |
7 |
|
C |
39 |
11 |
16545 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
39 |
11 |
17018 |
384.3 |
2.6 |
0.819 |
9 |
2 |
0 |
0.000 |
8 |
|
A |
41 |
12 |
16859 |
◊ |
B |
x-1/2,-y+1/2,-z-2 |
4_453 |
44 |
12 |
16796 |
381.2 |
1.9 |
0.744 |
8 |
2 |
0 |
0.000 |
Average: |
382.7 |
2.2 |
0.782 |
9 |
2 |
0 |
0.000 |
4 |
9 |
|
D |
48 |
13 |
17018 |
◊ |
A |
-x,-y,z |
2_555 |
47 |
12 |
16859 |
380.0 |
1.6 |
0.780 |
10 |
2 |
0 |
0.000 |
10 |
|
B |
48 |
13 |
16796 |
◊ |
C |
-x,-y,z-1 |
2_554 |
46 |
12 |
16545 |
370.2 |
1.6 |
0.783 |
10 |
2 |
0 |
0.000 |
Average: |
375.1 |
1.6 |
0.781 |
10 |
2 |
0 |
0.000 |
5 |
11 |
|
[HQS]A:502 |
25 |
1 |
582 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
16859 |
350.8 |
-1.5 |
0.312 |
3 |
0 |
0 |
0.012 |
12 |
|
[HQS]C:502 |
25 |
1 |
580 |
f |
C |
x,y,z |
1_555 |
48 |
20 |
16545 |
343.8 |
-0.4 |
0.359 |
4 |
0 |
0 |
0.012 |
13 |
|
[HQS]D:502 |
25 |
1 |
577 |
f |
D |
x,y,z |
1_555 |
47 |
21 |
17018 |
339.7 |
-1.8 |
0.301 |
4 |
0 |
0 |
0.012 |
14 |
|
[HQS]B:502 |
25 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
16796 |
334.8 |
-1.3 |
0.323 |
4 |
0 |
0 |
0.012 |
Average: |
342.3 |
-1.3 |
0.324 |
4 |
0 |
0 |
0.012 |
6 |
15 |
|
C |
34 |
11 |
16545 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
29 |
8 |
16796 |
252.3 |
0.4 |
0.624 |
4 |
2 |
0 |
0.000 |
7 |
16 |
|
B |
27 |
14 |
16796 |
◊ |
A |
-x,-y,z |
2_555 |
17 |
5 |
16859 |
250.2 |
1.5 |
0.788 |
4 |
1 |
0 |
0.000 |
8 |
17 |
|
A |
29 |
7 |
16859 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
9 |
16796 |
248.5 |
0.7 |
0.693 |
3 |
3 |
0 |
0.000 |
18 |
|
C |
31 |
9 |
16545 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
10 |
17018 |
246.8 |
-0.1 |
0.600 |
2 |
4 |
0 |
0.000 |
Average: |
247.7 |
0.3 |
0.646 |
3 |
4 |
0 |
0.000 |
9 |
19 |
|
[HQS]A:503 |
19 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
16859 |
233.6 |
-1.3 |
0.432 |
4 |
0 |
0 |
0.010 |
20 |
|
[HQS]C:503 |
19 |
1 |
554 |
f |
C |
x,y,z |
1_555 |
33 |
13 |
16545 |
222.1 |
0.7 |
0.570 |
3 |
0 |
0 |
0.010 |
Average: |
227.9 |
-0.3 |
0.501 |
4 |
0 |
0 |
0.010 |
10 |
21 |
|
[HQS]C:503 |
20 |
1 |
554 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
7 |
17018 |
182.2 |
-0.2 |
0.484 |
1 |
0 |
0 |
0.000 |
22 |
|
[HQS]A:503 |
23 |
1 |
558 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
5 |
16796 |
180.9 |
0.9 |
0.550 |
1 |
0 |
0 |
0.000 |
Average: |
181.6 |
0.4 |
0.517 |
1 |
0 |
0 |
0.000 |
11 |
23 |
|
D |
18 |
6 |
17018 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
13 |
4 |
16796 |
139.8 |
2.4 |
0.855 |
3 |
1 |
0 |
0.000 |
12 |
24 |
|
[HQS]D:502 |
15 |
1 |
577 |
cf |
[HEM]D:501 |
x,y,z |
1_555 |
28 |
1 |
811 |
131.4 |
-3.4 |
0.645 |
0 |
0 |
0 |
0.012 |
25 |
|
[HQS]B:502 |
14 |
1 |
571 |
cf |
[HEM]B:501 |
x,y,z |
1_555 |
30 |
1 |
809 |
130.9 |
-3.2 |
0.661 |
0 |
0 |
0 |
0.012 |
26 |
|
[HQS]C:502 |
15 |
1 |
580 |
cf |
[HEM]C:501 |
x,y,z |
1_555 |
29 |
1 |
813 |
126.9 |
-3.4 |
0.580 |
0 |
0 |
0 |
0.012 |
27 |
|
[HQS]A:502 |
14 |
1 |
582 |
cf |
[HEM]A:501 |
x,y,z |
1_555 |
29 |
1 |
814 |
124.4 |
-3.2 |
0.628 |
0 |
0 |
0 |
0.012 |
Average: |
128.4 |
-3.3 |
0.629 |
0 |
0 |
0 |
0.012 |
13 |
28 |
|
B |
10 |
4 |
16796 |
◊ |
D |
x,y,z-1 |
1_554 |
14 |
5 |
17018 |
129.9 |
-0.1 |
0.475 |
3 |
2 |
0 |
0.000 |
29 |
|
A |
10 |
4 |
16859 |
◊ |
C |
x,y,z-1 |
1_554 |
11 |
3 |
16545 |
92.9 |
0.2 |
0.576 |
3 |
1 |
0 |
0.000 |
Average: |
111.4 |
0.0 |
0.526 |
3 |
2 |
0 |
0.000 |
14 |
30 |
|
D |
4 |
2 |
17018 |
◊ |
C |
-x,-y,z |
2_555 |
9 |
5 |
16545 |
43.8 |
1.2 |
0.755 |
1 |
0 |
0 |
0.000 |
15 |
31 |
|
D |
4 |
2 |
17018 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16859 |
28.5 |
-0.6 |
0.279 |
0 |
0 |
0 |
0.000 |
16 |
32 |
|
A |
6 |
3 |
16859 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
2 |
17018 |
25.0 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
C |
5 |
2 |
16545 |
◊ |
C |
-x-1,-y,z |
2_455 |
5 |
2 |
16545 |
19.8 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
A |
1 |
1 |
16859 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
16859 |
10.2 |
0.2 |
0.844 |
0 |
0 |
0 |
0.000 |
|