## |
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 |
108 |
26 |
20961 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
111 |
27 |
20881 |
912.0 |
1.2 |
0.827 |
15 |
1 |
0 |
0.000 |
2 |
2 |
|
[HEM]B:502 |
43 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
88 |
35 |
20881 |
605.2 |
-19.6 |
0.549 |
3 |
0 |
0 |
0.050 |
3 |
|
[HEM]A:502 |
43 |
1 |
845 |
f |
A |
x,y,z |
1_555 |
92 |
37 |
20961 |
602.4 |
-19.3 |
0.540 |
3 |
0 |
0 |
0.050 |
Average: |
603.8 |
-19.5 |
0.544 |
3 |
0 |
0 |
0.050 |
3 |
4 |
|
A |
72 |
21 |
20961 |
◊ |
B |
x-1,y,z |
1_455 |
59 |
16 |
20881 |
566.3 |
0.1 |
0.720 |
6 |
4 |
0 |
0.000 |
4 |
5 |
|
B |
62 |
20 |
20881 |
◊ |
A |
x,y,z |
1_555 |
69 |
21 |
20961 |
564.1 |
-1.1 |
0.609 |
7 |
0 |
0 |
0.000 |
5 |
6 |
|
[FJQ]B:501 |
23 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
50 |
21 |
20881 |
356.7 |
-17.4 |
0.253 |
0 |
0 |
0 |
0.041 |
7 |
|
[FJQ]A:501 |
22 |
1 |
533 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
20961 |
298.4 |
-13.7 |
0.184 |
0 |
0 |
0 |
0.041 |
Average: |
327.5 |
-15.5 |
0.219 |
0 |
0 |
0 |
0.041 |
6 |
8 |
|
B |
32 |
7 |
20881 |
x |
B |
x-1,y,z |
1_455 |
35 |
10 |
20881 |
313.4 |
-0.2 |
0.566 |
2 |
2 |
0 |
0.000 |
7 |
9 |
|
A |
21 |
9 |
20961 |
◊ |
B |
x-1,y,z-1 |
1_454 |
23 |
9 |
20881 |
173.1 |
0.4 |
0.701 |
0 |
3 |
0 |
0.000 |
8 |
10 |
|
[PEG]B:508 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
34 |
10 |
20881 |
153.8 |
3.4 |
0.432 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[TLA]A:505 |
10 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
20961 |
134.9 |
-0.0 |
0.260 |
1 |
0 |
0 |
0.001 |
10 |
12 |
|
[DIO]A:506 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
20961 |
131.0 |
6.6 |
0.301 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
20881 |
110.4 |
3.7 |
0.539 |
3 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:504 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
20881 |
108.2 |
4.2 |
0.577 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]A:507 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
20961 |
103.5 |
1.9 |
0.222 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
20881 |
102.8 |
2.6 |
0.439 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
A |
13 |
4 |
20961 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
5 |
20881 |
98.5 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]B:507 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
20881 |
96.7 |
2.5 |
0.453 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[HEM]B:502 |
25 |
1 |
836 |
f |
[FJQ]B:501 |
x,y,z |
1_555 |
8 |
1 |
539 |
92.8 |
-5.5 |
0.822 |
0 |
0 |
0 |
0.013 |
20 |
|
[HEM]A:502 |
24 |
1 |
845 |
f |
[FJQ]A:501 |
x,y,z |
1_555 |
8 |
1 |
533 |
81.8 |
-4.7 |
0.813 |
0 |
0 |
0 |
0.013 |
Average: |
87.3 |
-5.1 |
0.817 |
0 |
0 |
0 |
0.013 |
18 |
21 |
|
[PO4]B:503 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
20881 |
90.5 |
-5.9 |
0.701 |
2 |
0 |
0 |
0.016 |
19 |
22 |
|
B |
14 |
5 |
20881 |
x |
B |
x,y,z-1 |
1_554 |
10 |
4 |
20881 |
89.2 |
0.6 |
0.751 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[PO4]A:503 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
20961 |
87.9 |
-6.3 |
0.484 |
2 |
0 |
0 |
0.017 |
21 |
24 |
|
[EDO]A:512 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
20961 |
78.1 |
1.5 |
0.688 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
11 |
4 |
20881 |
76.2 |
1.7 |
0.241 |
2 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]A:511 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
20961 |
76.1 |
2.5 |
0.291 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[EDO]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20961 |
76.0 |
2.0 |
0.255 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[EDO]A:508 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20961 |
74.0 |
1.8 |
0.403 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]A:510 |
3 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
20881 |
68.5 |
1.2 |
0.227 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[PO4]A:504 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20961 |
68.1 |
-4.0 |
0.781 |
1 |
0 |
0 |
0.011 |
28 |
31 |
|
[EDO]A:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20961 |
64.7 |
1.8 |
0.428 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
A |
6 |
2 |
20961 |
x |
A |
x,y,z-1 |
1_554 |
7 |
3 |
20961 |
61.9 |
0.5 |
0.733 |
2 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]A:509 |
4 |
1 |
185 |
f |
[FJQ]A:501 |
x,y,z |
1_555 |
9 |
1 |
533 |
45.1 |
-0.8 |
0.882 |
0 |
0 |
0 |
0.002 |
31 |
34 |
|
[EDO]A:508 |
3 |
1 |
185 |
f |
[TLA]A:505 |
x,y,z |
1_555 |
4 |
1 |
266 |
30.1 |
0.4 |
0.621 |
1 |
0 |
0 |
0.000 |
32 |
35 |
|
[EDO]A:507 |
2 |
1 |
183 |
f |
[TLA]A:505 |
x,y,z |
1_555 |
3 |
1 |
266 |
28.3 |
-0.5 |
0.544 |
2 |
0 |
0 |
0.003 |
33 |
36 |
|
[EDO]A:509 |
3 |
1 |
185 |
f |
[EDO]A:508 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.2 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[EDO]A:509 |
2 |
1 |
185 |
f |
[TLA]A:505 |
x,y,z |
1_555 |
7 |
1 |
266 |
24.3 |
0.9 |
0.731 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[TLA]A:505 |
5 |
1 |
266 |
f |
[FJQ]A:501 |
x,y,z |
1_555 |
2 |
1 |
533 |
24.3 |
-1.9 |
0.340 |
0 |
0 |
0 |
0.005 |
36 |
39 |
|
[EDO]A:508 |
2 |
1 |
185 |
f |
[FJQ]A:501 |
x,y,z |
1_555 |
4 |
1 |
533 |
23.6 |
-0.4 |
0.739 |
0 |
0 |
0 |
0.001 |
37 |
40 |
|
[DIO]A:506 |
1 |
1 |
218 |
f |
[PO4]A:504 |
x,y,z |
1_555 |
1 |
1 |
189 |
17.9 |
-0.4 |
0.516 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[EDO]A:507 |
3 |
1 |
183 |
f |
[FJQ]A:501 |
x,y,z |
1_555 |
2 |
1 |
533 |
16.6 |
-0.6 |
0.572 |
0 |
0 |
0 |
0.001 |
39 |
42 |
|
A |
4 |
2 |
20961 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
20961 |
14.6 |
0.6 |
0.797 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[EDO]A:508 |
3 |
1 |
185 |
f |
[EDO]A:507 |
x,y,z |
1_555 |
1 |
1 |
183 |
10.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[EDO]A:512 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20881 |
9.8 |
0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[EDO]A:509 |
1 |
1 |
185 |
f |
[HEM]A:502 |
x,y,z |
1_555 |
3 |
1 |
845 |
8.8 |
-0.1 |
0.990 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[EDO]B:504 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
20961 |
8.6 |
0.5 |
0.895 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
A |
3 |
2 |
20961 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
20881 |
8.0 |
-0.2 |
0.470 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[EDO]B:507 |
2 |
1 |
185 |
f |
B |
x,y,z-1 |
1_554 |
1 |
1 |
20881 |
6.7 |
0.4 |
0.949 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[EDO]A:510 |
1 |
1 |
185 |
◊ |
[PO4]B:503 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
189 |
3.2 |
-0.0 |
0.996 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[EDO]A:509 |
1 |
1 |
185 |
f |
[EDO]A:507 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|