## |
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 |
|
D |
99 |
28 |
8158 |
◊ |
B |
x,y,z |
1_555 |
103 |
25 |
7694 |
888.1 |
-15.3 |
0.075 |
7 |
0 |
0 |
0.305 |
2 |
2 |
|
C |
90 |
28 |
7784 |
◊ |
A |
x,y,z |
1_555 |
92 |
27 |
7546 |
856.7 |
-13.2 |
0.131 |
7 |
0 |
0 |
0.271 |
3 |
3 |
|
A |
84 |
30 |
7546 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
86 |
26 |
8158 |
837.0 |
-12.1 |
0.121 |
6 |
0 |
0 |
0.254 |
4 |
4 |
|
C |
54 |
17 |
7784 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
54 |
18 |
7694 |
548.8 |
-7.1 |
0.248 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
62 |
18 |
7784 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
63 |
19 |
7546 |
529.2 |
-4.8 |
0.493 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[FMN]D:401 |
31 |
1 |
619 |
f |
D |
x,y,z |
1_555 |
57 |
22 |
8158 |
436.1 |
-4.8 |
0.600 |
11 |
0 |
0 |
0.337 |
7 |
|
[FMN]A:401 |
30 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
7546 |
434.4 |
-4.1 |
0.655 |
13 |
0 |
0 |
0.337 |
8 |
|
[FMN]C:401 |
30 |
1 |
621 |
f |
C |
x,y,z |
1_555 |
56 |
22 |
7784 |
434.2 |
-4.9 |
0.646 |
12 |
0 |
0 |
0.337 |
9 |
|
[FMN]B:401 |
30 |
1 |
621 |
f |
B |
x,y,z |
1_555 |
57 |
21 |
7694 |
430.9 |
-4.3 |
0.605 |
14 |
0 |
0 |
0.337 |
Average: |
433.9 |
-4.5 |
0.627 |
13 |
0 |
0 |
0.337 |
7 |
10 |
|
B |
36 |
13 |
7694 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
37 |
12 |
8158 |
328.9 |
-1.1 |
0.554 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
25 |
8 |
7546 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
8 |
8158 |
223.4 |
3.7 |
0.943 |
3 |
3 |
0 |
0.000 |
9 |
12 |
|
[MES]B:403 |
11 |
1 |
340 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
7694 |
138.2 |
2.7 |
0.083 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
14 |
4 |
7694 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7546 |
134.6 |
-0.0 |
0.656 |
4 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]B:402 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
7694 |
90.1 |
1.7 |
0.218 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
D |
12 |
5 |
8158 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
7784 |
88.7 |
-1.1 |
0.448 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]A:402 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7546 |
87.1 |
2.2 |
0.263 |
3 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
12 |
4 |
7694 |
◊ |
[EDO]D:402 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
184 |
86.5 |
2.5 |
0.449 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]D:403 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
8158 |
84.2 |
1.7 |
0.265 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[ACT]A:405 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
7546 |
81.7 |
-0.9 |
0.551 |
0 |
0 |
0 |
0.016 |
17 |
20 |
|
C |
12 |
4 |
7784 |
◊ |
[ACT]A:405 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
183 |
69.3 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]A:403 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7546 |
68.5 |
1.5 |
0.219 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
9 |
3 |
7694 |
f |
[EDO]D:403 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
63.4 |
0.9 |
0.530 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7694 |
63.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.260 |
24 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8158 |
62.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.260 |
25 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
7784 |
61.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.260 |
26 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
7546 |
59.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
61.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.260 |
21 |
27 |
|
C |
9 |
4 |
7784 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
8158 |
60.7 |
2.1 |
0.912 |
2 |
2 |
0 |
0.000 |
22 |
28 |
|
A |
10 |
4 |
7546 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
7 |
7694 |
60.4 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[MES]B:403 |
4 |
1 |
340 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8158 |
49.9 |
1.0 |
0.250 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[EDO]D:402 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
8158 |
48.7 |
1.2 |
0.740 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
7 |
7784 |
47.7 |
1.1 |
0.885 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
[FMN]A:401 |
x,y,z |
1_555 |
9 |
1 |
623 |
45.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.197 |
33 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
[FMN]B:401 |
x,y,z |
1_555 |
7 |
1 |
621 |
43.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.197 |
34 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
[FMN]C:401 |
x,y,z |
1_555 |
8 |
1 |
621 |
42.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.197 |
35 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
[FMN]D:401 |
x,y,z |
1_555 |
7 |
1 |
619 |
42.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
43.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.197 |
27 |
36 |
|
[EDO]A:404 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
7546 |
41.7 |
0.9 |
0.814 |
2 |
0 |
0 |
0.000 |
28 |
37 |
|
C |
3 |
2 |
7784 |
f |
[EDO]B:402 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
184 |
34.7 |
0.6 |
0.448 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[EDO]A:404 |
3 |
1 |
183 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
8158 |
31.6 |
1.0 |
0.934 |
1 |
0 |
0 |
0.000 |
30 |
39 |
|
[EDO]D:402 |
3 |
1 |
184 |
f |
C |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
7784 |
15.2 |
-0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
C |
2 |
2 |
7784 |
◊ |
[FMN]A:401 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
623 |
10.6 |
-0.6 |
0.503 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[FMN]A:401 |
1 |
1 |
623 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
8158 |
3.5 |
-0.2 |
0.358 |
0 |
0 |
0 |
0.004 |
33 |
42 |
|
[FMN]C:401 |
1 |
1 |
621 |
◊ |
[ACT]A:405 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
183 |
1.5 |
-0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
|