| ## |
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 |
|
A |
62 |
14 |
17966 |
◊ |
B |
x-1,y,z |
1_455 |
83 |
27 |
17950 |
620.8 |
-4.6 |
0.199 |
3 |
0 |
0 |
0.000 |
2 |
|
D |
67 |
17 |
17929 |
◊ |
C |
x-1,y,z |
1_455 |
83 |
30 |
17816 |
618.3 |
-3.3 |
0.401 |
4 |
0 |
0 |
0.000 |
| Average: |
619.5 |
-4.0 |
0.300 |
4 |
0 |
0 |
0.000 |
| 2 |
3 |
|
D |
80 |
33 |
17929 |
◊ |
C |
x,y,z |
1_555 |
60 |
22 |
17816 |
610.3 |
-5.7 |
0.101 |
4 |
0 |
0 |
0.000 |
4 |
|
B |
62 |
23 |
17950 |
◊ |
A |
x,y,z |
1_555 |
84 |
33 |
17966 |
606.3 |
-5.3 |
0.131 |
5 |
0 |
0 |
0.000 |
| Average: |
608.3 |
-5.5 |
0.116 |
5 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[HEM]B:501 |
43 |
1 |
839 |
f |
B |
x,y,z |
1_555 |
86 |
34 |
17950 |
606.8 |
-23.9 |
0.267 |
4 |
0 |
0 |
0.173 |
6 |
|
[HEM]C:501 |
43 |
1 |
836 |
f |
C |
x,y,z |
1_555 |
86 |
34 |
17816 |
605.1 |
-24.6 |
0.208 |
4 |
0 |
0 |
0.173 |
7 |
|
[HEM]A:501 |
42 |
1 |
835 |
f |
A |
x,y,z |
1_555 |
86 |
34 |
17966 |
602.0 |
-23.9 |
0.231 |
4 |
0 |
0 |
0.173 |
8 |
|
[HEM]D:501 |
43 |
1 |
836 |
f |
D |
x,y,z |
1_555 |
87 |
34 |
17929 |
599.8 |
-23.8 |
0.245 |
4 |
0 |
0 |
0.173 |
| Average: |
603.4 |
-24.0 |
0.238 |
4 |
0 |
0 |
0.173 |
| 4 |
9 |
|
[K2B]A:502 |
26 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
63 |
28 |
17966 |
456.1 |
1.5 |
0.214 |
0 |
0 |
0 |
0.000 |
10 |
|
[K2B]B:502 |
26 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
64 |
28 |
17950 |
454.4 |
1.4 |
0.230 |
0 |
0 |
0 |
0.000 |
11 |
|
[K2B]C:502 |
26 |
1 |
631 |
f |
C |
x,y,z |
1_555 |
63 |
28 |
17816 |
454.0 |
1.4 |
0.231 |
0 |
0 |
0 |
0.000 |
12 |
|
[K2B]D:502 |
26 |
1 |
629 |
f |
D |
x,y,z |
1_555 |
62 |
28 |
17929 |
454.0 |
1.4 |
0.210 |
0 |
0 |
0 |
0.000 |
| Average: |
454.6 |
1.4 |
0.221 |
0 |
0 |
0 |
0.000 |
| 5 |
13 |
|
D |
49 |
20 |
17929 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
15 |
17816 |
436.3 |
-0.6 |
0.639 |
5 |
0 |
0 |
0.000 |
14 |
|
B |
52 |
15 |
17950 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
48 |
20 |
17966 |
431.7 |
-1.1 |
0.620 |
4 |
0 |
0 |
0.000 |
15 |
|
A |
52 |
14 |
17966 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
43 |
18 |
17950 |
424.4 |
-1.0 |
0.617 |
4 |
0 |
0 |
0.000 |
16 |
|
C |
42 |
17 |
17816 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
14 |
17929 |
416.4 |
-0.9 |
0.583 |
4 |
1 |
0 |
0.000 |
| Average: |
427.2 |
-0.9 |
0.615 |
4 |
0 |
0 |
0.000 |
| 6 |
17 |
|
C |
32 |
8 |
17816 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
17966 |
319.4 |
-0.5 |
0.600 |
3 |
4 |
0 |
0.000 |
18 |
|
D |
35 |
10 |
17929 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
17966 |
314.7 |
-1.2 |
0.508 |
3 |
2 |
0 |
0.000 |
19 |
|
C |
33 |
9 |
17816 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
17950 |
306.6 |
-1.0 |
0.471 |
5 |
3 |
0 |
0.000 |
20 |
|
D |
31 |
9 |
17929 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
10 |
17950 |
303.8 |
-1.2 |
0.459 |
6 |
4 |
0 |
0.000 |
| Average: |
311.1 |
-1.0 |
0.510 |
4 |
3 |
0 |
0.000 |
| 7 |
21 |
|
[PGE]C:506 |
10 |
1 |
332 |
f |
C |
x,y,z |
1_555 |
38 |
17 |
17816 |
225.6 |
6.8 |
0.543 |
3 |
0 |
0 |
0.000 |
| 8 |
22 |
|
[MPO]C:503 |
13 |
1 |
367 |
◊ |
C |
x,y,z |
1_555 |
24 |
9 |
17816 |
177.0 |
4.6 |
0.170 |
2 |
0 |
0 |
0.000 |
23 |
|
[MPO]A:503 |
13 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
17966 |
176.8 |
4.5 |
0.139 |
2 |
0 |
0 |
0.000 |
| Average: |
176.9 |
4.5 |
0.154 |
2 |
0 |
0 |
0.000 |
| 9 |
24 |
|
[MPO]D:503 |
13 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
24 |
9 |
17929 |
176.5 |
3.9 |
0.145 |
2 |
0 |
0 |
0.000 |
| 10 |
25 |
|
[MPO]B:503 |
13 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
17950 |
172.1 |
3.6 |
0.110 |
2 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[PGE]A:508 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
17966 |
165.5 |
5.5 |
0.489 |
2 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[PGE]B:508 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
17950 |
165.0 |
6.1 |
0.529 |
3 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[PGE]B:507 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
17950 |
153.3 |
4.6 |
0.468 |
2 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[PGE]D:504 |
9 |
1 |
334 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
17929 |
153.1 |
2.3 |
0.166 |
0 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[PGE]C:507 |
7 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
17816 |
129.0 |
1.1 |
0.206 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[GOL]D:505 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
17929 |
106.8 |
-0.7 |
0.458 |
2 |
0 |
0 |
0.006 |
| 17 |
32 |
|
[GOL]A:504 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17966 |
105.5 |
-0.9 |
0.470 |
3 |
0 |
0 |
0.008 |
| 18 |
33 |
|
[GOL]B:504 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
17950 |
104.3 |
-0.9 |
0.423 |
1 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[GOL]A:509 |
6 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
17966 |
100.9 |
0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[GOL]D:506 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
17929 |
99.5 |
-0.4 |
0.573 |
2 |
0 |
0 |
0.005 |
| 21 |
36 |
|
[GOL]C:505 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
17816 |
85.6 |
0.3 |
0.595 |
3 |
0 |
0 |
0.005 |
| 22 |
37 |
|
[GOL]B:506 |
6 |
1 |
217 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
17950 |
85.1 |
-0.6 |
0.522 |
2 |
0 |
0 |
0.010 |
| 23 |
38 |
|
[GOL]A:505 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
17966 |
81.9 |
-0.4 |
0.475 |
3 |
0 |
0 |
0.007 |
| 24 |
39 |
|
[GOL]C:504 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17816 |
68.8 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
| 25 |
40 |
|
[GOL]A:506 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17966 |
67.9 |
-0.5 |
0.489 |
0 |
0 |
0 |
0.002 |
| 26 |
41 |
|
[PGE]D:504 |
5 |
1 |
334 |
f |
[GOL]D:506 |
x,y,z |
1_555 |
4 |
1 |
214 |
47.8 |
1.9 |
0.272 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[K2B]C:502 |
4 |
1 |
631 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
19 |
1 |
836 |
47.7 |
-1.7 |
0.341 |
0 |
0 |
0 |
0.011 |
43 |
|
[K2B]D:502 |
3 |
1 |
629 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
19 |
1 |
836 |
47.2 |
-1.6 |
0.356 |
0 |
0 |
0 |
0.011 |
44 |
|
[K2B]B:502 |
4 |
1 |
628 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
19 |
1 |
839 |
46.8 |
-1.7 |
0.336 |
0 |
0 |
0 |
0.011 |
45 |
|
[K2B]A:502 |
3 |
1 |
631 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
19 |
1 |
835 |
46.6 |
-1.6 |
0.340 |
0 |
0 |
0 |
0.011 |
| Average: |
47.1 |
-1.6 |
0.343 |
0 |
0 |
0 |
0.011 |
| 28 |
46 |
|
[GOL]B:505 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17950 |
47.2 |
-0.5 |
0.482 |
0 |
0 |
0 |
0.003 |
| 29 |
47 |
|
[GOL]A:509 |
4 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
17929 |
46.7 |
0.2 |
0.687 |
1 |
0 |
0 |
0.000 |
| 30 |
48 |
|
[GOL]B:506 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
17950 |
44.7 |
-0.3 |
0.522 |
0 |
0 |
0 |
0.000 |
| 31 |
49 |
|
[GOL]C:505 |
4 |
1 |
222 |
f |
[GOL]C:504 |
x,y,z |
1_555 |
4 |
1 |
220 |
44.3 |
0.1 |
0.522 |
1 |
0 |
0 |
0.002 |
| 32 |
50 |
|
[PGE]B:508 |
3 |
1 |
257 |
f |
[PGE]B:507 |
x,y,z |
1_555 |
3 |
1 |
258 |
38.1 |
1.8 |
0.034 |
0 |
0 |
0 |
0.000 |
| 33 |
51 |
|
A |
4 |
2 |
17966 |
x |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
17966 |
34.3 |
-0.0 |
0.474 |
1 |
1 |
0 |
0.000 |
52 |
|
D |
3 |
1 |
17929 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
17929 |
28.0 |
-0.1 |
0.354 |
0 |
1 |
0 |
0.000 |
| Average: |
31.1 |
-0.1 |
0.414 |
1 |
1 |
0 |
0.000 |
| 34 |
53 |
|
[GOL]B:506 |
3 |
1 |
217 |
◊ |
[GOL]B:504 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
218 |
33.7 |
-0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
| 35 |
54 |
|
[GOL]A:507 |
3 |
1 |
220 |
f |
[GOL]A:506 |
x,y,z |
1_555 |
4 |
1 |
219 |
31.5 |
0.6 |
0.718 |
3 |
0 |
0 |
0.003 |
| 36 |
55 |
|
[GOL]A:507 |
2 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
17966 |
22.2 |
-0.3 |
0.302 |
0 |
0 |
0 |
0.001 |
| 37 |
56 |
|
[MPO]C:503 |
2 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
17950 |
5.2 |
0.2 |
0.282 |
0 |
0 |
0 |
0.000 |
| 38 |
57 |
|
[GOL]B:506 |
1 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17966 |
4.4 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[MPO]D:503 |
1 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17966 |
3.4 |
0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
| 40 |
59 |
|
B |
1 |
1 |
17950 |
f |
[GOL]B:504 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
218 |
2.2 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
|