## |
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 |
|
B |
283 |
76 |
19718 |
◊ |
A |
x,y,z |
1_555 |
270 |
75 |
20073 |
2685.4 |
-37.8 |
0.002 |
40 |
0 |
0 |
0.605 |
2 |
|
D |
268 |
72 |
20052 |
◊ |
C |
x,y,z |
1_555 |
271 |
76 |
19764 |
2657.5 |
-33.5 |
0.007 |
39 |
0 |
0 |
0.605 |
Average: |
2671.5 |
-35.6 |
0.004 |
40 |
0 |
0 |
0.605 |
2 |
3 |
|
B |
89 |
28 |
19718 |
◊ |
D |
x-1,y,z |
1_455 |
92 |
26 |
20052 |
747.1 |
1.3 |
0.785 |
8 |
0 |
0 |
0.021 |
4 |
|
C |
82 |
25 |
19764 |
◊ |
A |
x,y,z |
1_555 |
93 |
29 |
20073 |
705.0 |
1.7 |
0.851 |
7 |
0 |
0 |
0.021 |
Average: |
726.1 |
1.5 |
0.818 |
8 |
0 |
0 |
0.021 |
3 |
5 |
|
[FAD]D:501 |
51 |
1 |
1008 |
f |
D |
x,y,z |
1_555 |
102 |
39 |
20052 |
681.4 |
-8.0 |
0.390 |
13 |
0 |
0 |
0.365 |
6 |
|
[FAD]B:501 |
51 |
1 |
1002 |
f |
B |
x,y,z |
1_555 |
108 |
41 |
19718 |
680.3 |
-7.7 |
0.441 |
11 |
0 |
0 |
0.365 |
7 |
|
[FAD]A:501 |
52 |
1 |
1006 |
f |
A |
x,y,z |
1_555 |
105 |
40 |
20073 |
669.6 |
-7.4 |
0.469 |
10 |
0 |
0 |
0.365 |
8 |
|
[FAD]C:501 |
52 |
1 |
1003 |
f |
C |
x,y,z |
1_555 |
101 |
39 |
19764 |
662.4 |
-7.3 |
0.461 |
12 |
0 |
0 |
0.365 |
Average: |
673.4 |
-7.6 |
0.441 |
12 |
0 |
0 |
0.365 |
4 |
9 |
|
[NDP]D:502 |
46 |
1 |
906 |
f |
D |
x,y,z |
1_555 |
92 |
29 |
20052 |
647.3 |
-4.6 |
0.322 |
7 |
0 |
0 |
0.235 |
10 |
|
[NDP]C:502 |
45 |
1 |
892 |
f |
C |
x,y,z |
1_555 |
90 |
31 |
19764 |
626.1 |
-4.2 |
0.405 |
11 |
0 |
0 |
0.235 |
11 |
|
[NDP]B:502 |
46 |
1 |
892 |
f |
B |
x,y,z |
1_555 |
91 |
31 |
19718 |
619.1 |
-2.7 |
0.448 |
13 |
0 |
0 |
0.235 |
12 |
|
[NDP]A:502 |
45 |
1 |
897 |
f |
A |
x,y,z |
1_555 |
87 |
31 |
20073 |
618.5 |
-3.5 |
0.451 |
7 |
0 |
0 |
0.235 |
Average: |
627.8 |
-3.8 |
0.407 |
10 |
0 |
0 |
0.235 |
5 |
13 |
|
B |
25 |
12 |
19718 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
32 |
11 |
20052 |
208.7 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
6 |
14 |
|
B |
23 |
8 |
19718 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
32 |
9 |
19718 |
204.2 |
-1.3 |
0.510 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
A |
26 |
7 |
20073 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
28 |
9 |
20073 |
203.7 |
1.5 |
0.787 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
C |
23 |
5 |
19764 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
5 |
19718 |
191.3 |
-1.1 |
0.505 |
2 |
0 |
0 |
0.000 |
17 |
|
A |
23 |
5 |
20073 |
◊ |
D |
x-1,y,z-1 |
1_454 |
21 |
4 |
20052 |
191.2 |
-1.0 |
0.509 |
2 |
0 |
0 |
0.000 |
Average: |
191.3 |
-1.1 |
0.507 |
2 |
0 |
0 |
0.000 |
9 |
18 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
19764 |
121.0 |
3.7 |
0.482 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
20052 |
119.0 |
4.0 |
0.506 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20073 |
118.4 |
3.7 |
0.646 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
19718 |
116.4 |
3.4 |
0.440 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
A |
12 |
4 |
20073 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
16 |
7 |
20052 |
107.6 |
-0.2 |
0.588 |
1 |
1 |
0 |
0.000 |
14 |
23 |
|
[NDP]C:502 |
15 |
1 |
892 |
f |
[FAD]C:501 |
x,y,z |
1_555 |
18 |
1 |
1003 |
102.4 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
24 |
|
[NDP]A:502 |
13 |
1 |
897 |
f |
[FAD]A:501 |
x,y,z |
1_555 |
19 |
1 |
1006 |
99.8 |
0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
25 |
|
[NDP]B:502 |
14 |
1 |
892 |
f |
[FAD]B:501 |
x,y,z |
1_555 |
18 |
1 |
1002 |
99.0 |
0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
26 |
|
[NDP]D:502 |
13 |
1 |
906 |
f |
[FAD]D:501 |
x,y,z |
1_555 |
18 |
1 |
1008 |
98.1 |
0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
99.8 |
0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
[EDO]B:504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
19718 |
71.8 |
1.5 |
0.170 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[EDO]A:504 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
20073 |
68.6 |
1.4 |
0.176 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20073 |
67.4 |
-9.7 |
0.674 |
2 |
0 |
0 |
0.159 |
18 |
30 |
|
[EDO]D:503 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
19764 |
66.5 |
1.3 |
0.179 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[FAD]D:501 |
9 |
1 |
1008 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
19764 |
63.6 |
-0.1 |
0.554 |
1 |
0 |
0 |
0.009 |
32 |
|
[FAD]C:501 |
8 |
1 |
1003 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
20052 |
60.9 |
-0.2 |
0.520 |
0 |
0 |
0 |
0.009 |
33 |
|
[FAD]A:501 |
7 |
1 |
1006 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
19718 |
59.5 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.009 |
34 |
|
[FAD]B:501 |
7 |
1 |
1002 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
20073 |
58.2 |
-0.2 |
0.518 |
0 |
0 |
0 |
0.009 |
Average: |
60.5 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.009 |
20 |
35 |
|
[EDO]C:504 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
20052 |
63.0 |
1.2 |
0.166 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[SO4]A:505 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
19764 |
62.3 |
-8.6 |
0.710 |
2 |
0 |
0 |
0.141 |
22 |
37 |
|
[EDO]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
20052 |
60.6 |
1.0 |
0.631 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[EDO]B:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20073 |
59.0 |
1.2 |
0.601 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[EDO]A:504 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
19718 |
58.0 |
1.2 |
0.683 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
B |
7 |
4 |
19718 |
◊ |
[CL]D:505 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
54.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.157 |
41 |
|
[CL]A:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
20073 |
54.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.157 |
42 |
|
[CL]D:505 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
20052 |
47.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.157 |
43 |
|
[CL]A:506 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
19764 |
47.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
50.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.157 |
26 |
44 |
|
[EDO]C:504 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19764 |
51.3 |
0.6 |
0.499 |
0 |
0 |
0 |
0.000 |
27 |
45 |
|
C |
6 |
2 |
19764 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
2 |
19718 |
47.3 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
[NDP]C:502 |
4 |
1 |
892 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20052 |
34.3 |
0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
47 |
|
[NDP]D:502 |
4 |
1 |
906 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
19764 |
32.9 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
48 |
|
[NDP]B:502 |
3 |
1 |
892 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
20073 |
32.0 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
49 |
|
[NDP]A:502 |
4 |
1 |
897 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19718 |
29.4 |
0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
[SO4]A:505 |
1 |
1 |
186 |
f |
[NDP]A:502 |
x,y,z |
1_555 |
3 |
1 |
897 |
17.9 |
-1.8 |
0.688 |
0 |
0 |
0 |
0.027 |
30 |
51 |
|
[SO4]A:505 |
1 |
1 |
186 |
◊ |
[NDP]C:502 |
x,y,z |
1_555 |
1 |
1 |
892 |
13.3 |
-1.3 |
0.726 |
0 |
0 |
0 |
0.019 |
31 |
52 |
|
D |
2 |
1 |
20052 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
20073 |
7.2 |
-0.2 |
0.318 |
0 |
0 |
0 |
0.000 |
|