## |
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]C:501 |
43 |
1 |
804 |
f |
C |
x,y,z |
1_555 |
73 |
26 |
15751 |
527.1 |
-19.0 |
0.298 |
3 |
0 |
0 |
0.034 |
2 |
|
[HEM]D:501 |
43 |
1 |
801 |
f |
D |
x,y,z |
1_555 |
75 |
26 |
16027 |
525.4 |
-19.0 |
0.307 |
3 |
0 |
0 |
0.034 |
3 |
|
[HEM]A:501 |
43 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
79 |
27 |
15698 |
521.5 |
-18.7 |
0.314 |
3 |
0 |
0 |
0.034 |
4 |
|
[HEM]B:501 |
43 |
1 |
797 |
f |
B |
x,y,z |
1_555 |
77 |
26 |
15543 |
520.1 |
-18.9 |
0.297 |
3 |
0 |
0 |
0.034 |
Average: |
523.5 |
-18.9 |
0.304 |
3 |
0 |
0 |
0.034 |
2 |
5 |
|
C |
43 |
13 |
15751 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
50 |
15 |
16027 |
438.9 |
2.8 |
0.840 |
9 |
2 |
0 |
0.000 |
6 |
|
A |
46 |
14 |
15698 |
◊ |
B |
x-1/2,-y+1/2,-z-2 |
4_453 |
52 |
14 |
15543 |
436.7 |
2.5 |
0.825 |
9 |
2 |
0 |
0.000 |
Average: |
437.8 |
2.7 |
0.832 |
9 |
2 |
0 |
0.000 |
3 |
7 |
|
D |
49 |
13 |
16027 |
◊ |
A |
-x,-y,z |
2_555 |
50 |
12 |
15698 |
405.2 |
3.5 |
0.897 |
11 |
2 |
0 |
0.000 |
8 |
|
B |
49 |
13 |
15543 |
◊ |
C |
-x,-y,z-1 |
2_554 |
48 |
12 |
15751 |
393.4 |
2.4 |
0.843 |
10 |
2 |
0 |
0.000 |
Average: |
399.3 |
2.9 |
0.870 |
11 |
2 |
0 |
0.000 |
4 |
9 |
|
D |
45 |
17 |
16027 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
15751 |
378.6 |
-1.8 |
0.474 |
3 |
4 |
0 |
0.003 |
10 |
|
B |
40 |
14 |
15543 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
15698 |
368.9 |
-2.0 |
0.420 |
3 |
4 |
0 |
0.003 |
Average: |
373.8 |
-1.9 |
0.447 |
3 |
4 |
0 |
0.003 |
5 |
11 |
|
C |
35 |
10 |
15751 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
10 |
16027 |
282.1 |
0.4 |
0.708 |
2 |
3 |
0 |
0.000 |
12 |
|
A |
33 |
9 |
15698 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
10 |
15543 |
255.7 |
0.8 |
0.713 |
2 |
4 |
0 |
0.000 |
Average: |
268.9 |
0.6 |
0.711 |
2 |
4 |
0 |
0.000 |
6 |
13 |
|
C |
30 |
9 |
15751 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
26 |
9 |
15543 |
246.4 |
0.5 |
0.657 |
5 |
2 |
0 |
0.000 |
7 |
14 |
|
[HQJ]D:503 |
12 |
1 |
335 |
f |
D |
x,y,z |
1_555 |
35 |
13 |
16027 |
183.3 |
-9.1 |
0.444 |
0 |
0 |
0 |
0.014 |
15 |
|
[HQJ]B:503 |
12 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
33 |
12 |
15543 |
177.6 |
-9.0 |
0.424 |
0 |
0 |
0 |
0.014 |
Average: |
180.5 |
-9.1 |
0.434 |
0 |
0 |
0 |
0.014 |
8 |
16 |
|
[HQJ]C:503 |
12 |
1 |
334 |
f |
C |
x,y,z |
1_555 |
37 |
13 |
15751 |
183.0 |
-9.1 |
0.453 |
0 |
0 |
0 |
0.015 |
17 |
|
[HQJ]A:503 |
12 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
15698 |
178.0 |
-8.8 |
0.429 |
0 |
0 |
0 |
0.015 |
Average: |
180.5 |
-9.0 |
0.441 |
0 |
0 |
0 |
0.015 |
9 |
18 |
|
[HQJ]C:504 |
12 |
1 |
330 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
15751 |
179.9 |
-9.5 |
0.428 |
0 |
0 |
0 |
0.016 |
19 |
|
[HQJ]A:504 |
12 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
15698 |
170.3 |
-9.5 |
0.451 |
0 |
0 |
0 |
0.016 |
20 |
|
[HQJ]B:504 |
12 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
15543 |
162.7 |
-10.0 |
0.377 |
0 |
0 |
0 |
0.016 |
21 |
|
[HQJ]D:504 |
12 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
16027 |
161.3 |
-10.1 |
0.375 |
0 |
0 |
0 |
0.016 |
Average: |
168.6 |
-9.8 |
0.408 |
0 |
0 |
0 |
0.016 |
10 |
22 |
|
[HQJ]C:502 |
12 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
15751 |
178.5 |
-8.6 |
0.501 |
0 |
0 |
0 |
0.015 |
23 |
|
[HQJ]A:502 |
12 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
15698 |
177.5 |
-8.6 |
0.505 |
0 |
0 |
0 |
0.015 |
24 |
|
[HQJ]B:502 |
12 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
15543 |
176.0 |
-8.5 |
0.492 |
0 |
0 |
0 |
0.015 |
25 |
|
[HQJ]D:502 |
12 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
16027 |
175.6 |
-8.5 |
0.497 |
0 |
0 |
0 |
0.015 |
Average: |
176.9 |
-8.6 |
0.499 |
0 |
0 |
0 |
0.015 |
11 |
26 |
|
B |
20 |
10 |
15543 |
◊ |
A |
-x,-y,z |
2_555 |
17 |
5 |
15698 |
167.1 |
0.0 |
0.635 |
2 |
0 |
0 |
0.000 |
12 |
27 |
|
A |
22 |
9 |
15698 |
f |
[HQJ]B:505 |
x-1,y,z |
1_455 |
12 |
1 |
335 |
156.1 |
-6.2 |
0.632 |
0 |
0 |
0 |
0.011 |
28 |
|
[HQJ]C:506 |
12 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
15751 |
150.8 |
-6.3 |
0.594 |
0 |
0 |
0 |
0.011 |
Average: |
153.5 |
-6.2 |
0.613 |
0 |
0 |
0 |
0.011 |
13 |
29 |
|
B |
14 |
5 |
15543 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
4 |
16027 |
139.6 |
-1.1 |
0.206 |
2 |
1 |
0 |
0.000 |
14 |
30 |
|
[HQJ]C:506 |
12 |
1 |
333 |
◊ |
D |
x-1,y,z |
1_455 |
18 |
4 |
16027 |
132.5 |
-4.0 |
0.714 |
0 |
0 |
0 |
0.000 |
31 |
|
[HQJ]B:505 |
12 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
15543 |
129.8 |
-3.9 |
0.716 |
0 |
0 |
0 |
0.000 |
Average: |
131.2 |
-3.9 |
0.715 |
0 |
0 |
0 |
0.000 |
15 |
32 |
|
[HQJ]C:505 |
10 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
15751 |
108.8 |
-3.0 |
0.661 |
0 |
0 |
0 |
0.002 |
33 |
|
[HQJ]A:505 |
8 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
15698 |
104.3 |
-2.9 |
0.607 |
0 |
0 |
0 |
0.002 |
Average: |
106.6 |
-2.9 |
0.634 |
0 |
0 |
0 |
0.002 |
16 |
34 |
|
D |
14 |
6 |
16027 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
15 |
5 |
15543 |
100.0 |
1.2 |
0.796 |
1 |
1 |
0 |
0.000 |
17 |
35 |
|
[HQJ]B:503 |
10 |
1 |
334 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
13 |
1 |
797 |
83.1 |
-3.2 |
0.957 |
0 |
0 |
0 |
0.006 |
36 |
|
[HQJ]A:503 |
10 |
1 |
333 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
13 |
1 |
803 |
82.6 |
-3.3 |
0.959 |
0 |
0 |
0 |
0.006 |
37 |
|
[HQJ]C:503 |
9 |
1 |
334 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
15 |
1 |
804 |
78.1 |
-3.0 |
0.975 |
0 |
0 |
0 |
0.006 |
Average: |
81.3 |
-3.2 |
0.964 |
0 |
0 |
0 |
0.006 |
18 |
38 |
|
[HQJ]B:504 |
12 |
1 |
334 |
f |
[HQJ]A:505 |
x,y,z |
1_555 |
12 |
1 |
333 |
81.0 |
-3.7 |
0.932 |
0 |
0 |
0 |
0.006 |
39 |
|
[HQJ]D:504 |
12 |
1 |
337 |
f |
[HQJ]C:505 |
x,y,z |
1_555 |
12 |
1 |
333 |
78.6 |
-3.2 |
0.965 |
0 |
0 |
0 |
0.006 |
Average: |
79.8 |
-3.4 |
0.949 |
0 |
0 |
0 |
0.006 |
19 |
40 |
|
[HQJ]A:505 |
12 |
1 |
333 |
◊ |
[HQJ]A:504 |
x,y,z |
1_555 |
12 |
1 |
333 |
80.3 |
-4.2 |
0.908 |
0 |
0 |
0 |
0.003 |
20 |
41 |
|
[HQJ]C:505 |
12 |
1 |
333 |
◊ |
[HQJ]C:504 |
x,y,z |
1_555 |
12 |
1 |
330 |
79.4 |
-4.0 |
0.908 |
0 |
0 |
0 |
0.003 |
21 |
42 |
|
[HQJ]D:503 |
10 |
1 |
335 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
14 |
1 |
801 |
77.9 |
-3.0 |
0.980 |
0 |
0 |
0 |
0.004 |
22 |
43 |
|
[HQJ]A:502 |
5 |
1 |
332 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
22 |
1 |
803 |
77.4 |
-2.8 |
0.903 |
0 |
0 |
0 |
0.005 |
44 |
|
[HQJ]B:502 |
6 |
1 |
332 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
22 |
1 |
797 |
77.0 |
-2.7 |
0.934 |
0 |
0 |
0 |
0.005 |
45 |
|
[HQJ]D:502 |
6 |
1 |
331 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
25 |
1 |
801 |
76.6 |
-2.8 |
0.934 |
0 |
0 |
0 |
0.005 |
46 |
|
[HQJ]C:502 |
6 |
1 |
333 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
22 |
1 |
804 |
76.5 |
-2.7 |
0.934 |
0 |
0 |
0 |
0.005 |
Average: |
76.9 |
-2.8 |
0.926 |
0 |
0 |
0 |
0.005 |
23 |
47 |
|
[PO4]D:505 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16027 |
76.1 |
-3.9 |
0.910 |
3 |
0 |
0 |
0.008 |
24 |
48 |
|
[HQJ]A:505 |
7 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
15543 |
68.9 |
-5.4 |
0.353 |
0 |
0 |
0 |
0.009 |
49 |
|
[HQJ]C:505 |
7 |
1 |
333 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
16027 |
65.2 |
-5.2 |
0.365 |
0 |
0 |
0 |
0.009 |
Average: |
67.0 |
-5.3 |
0.359 |
0 |
0 |
0 |
0.009 |
25 |
50 |
|
A |
9 |
5 |
15698 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
10 |
4 |
16027 |
57.7 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
26 |
51 |
|
D |
3 |
1 |
16027 |
◊ |
C |
-x,-y,z |
2_555 |
8 |
4 |
15751 |
49.1 |
1.0 |
0.777 |
1 |
0 |
0 |
0.000 |
27 |
52 |
|
D |
8 |
3 |
16027 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15698 |
43.8 |
-0.4 |
0.530 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
[HQJ]D:504 |
6 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
15751 |
38.0 |
-1.3 |
0.716 |
0 |
0 |
0 |
0.002 |
54 |
|
[HQJ]B:504 |
5 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15698 |
36.5 |
-1.2 |
0.765 |
0 |
0 |
0 |
0.002 |
55 |
|
[HQJ]A:504 |
4 |
1 |
333 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
15543 |
27.7 |
-1.4 |
0.596 |
0 |
0 |
0 |
0.002 |
56 |
|
[HQJ]C:504 |
3 |
1 |
330 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16027 |
26.1 |
-1.2 |
0.617 |
0 |
0 |
0 |
0.002 |
Average: |
32.1 |
-1.3 |
0.674 |
0 |
0 |
0 |
0.002 |
29 |
57 |
|
C |
7 |
3 |
15751 |
◊ |
C |
-x-1,-y,z |
2_455 |
7 |
3 |
15751 |
36.2 |
0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
|