## |
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 |
|
C |
199 |
55 |
15020 |
◊ |
A |
x,y,z |
1_555 |
173 |
40 |
14982 |
1742.4 |
-16.4 |
0.067 |
28 |
15 |
0 |
0.778 |
2 |
|
D |
196 |
54 |
15332 |
◊ |
C |
x,y,z |
1_555 |
166 |
38 |
15020 |
1741.6 |
-14.6 |
0.116 |
28 |
14 |
0 |
0.778 |
3 |
|
G |
202 |
56 |
15011 |
◊ |
E |
x,y,z |
1_555 |
172 |
40 |
15040 |
1734.0 |
-15.3 |
0.079 |
28 |
14 |
0 |
0.778 |
4 |
|
H |
168 |
40 |
15125 |
◊ |
F |
x,y,z |
1_555 |
197 |
55 |
15185 |
1732.8 |
-14.1 |
0.122 |
27 |
13 |
0 |
0.778 |
5 |
|
H |
196 |
54 |
15125 |
◊ |
G |
x,y,z |
1_555 |
166 |
37 |
15011 |
1731.4 |
-14.6 |
0.107 |
28 |
14 |
0 |
0.778 |
6 |
|
D |
165 |
40 |
15332 |
◊ |
B |
x,y,z |
1_555 |
194 |
56 |
15199 |
1728.9 |
-16.3 |
0.070 |
27 |
14 |
0 |
0.778 |
7 |
|
B |
165 |
39 |
15199 |
◊ |
A |
x,y,z |
1_555 |
192 |
55 |
14982 |
1725.3 |
-15.1 |
0.081 |
27 |
13 |
0 |
0.778 |
8 |
|
F |
168 |
38 |
15185 |
◊ |
E |
x,y,z |
1_555 |
197 |
55 |
15040 |
1718.3 |
-15.3 |
0.074 |
28 |
13 |
0 |
0.778 |
Average: |
1731.8 |
-15.2 |
0.089 |
28 |
14 |
0 |
0.778 |
2 |
9 |
|
[FMN]D:400 |
31 |
1 |
605 |
f |
D |
x,y,z |
1_555 |
62 |
26 |
15332 |
405.7 |
-5.4 |
0.508 |
18 |
0 |
0 |
0.330 |
10 |
|
[FMN]H:400 |
31 |
1 |
600 |
f |
H |
x,y,z |
1_555 |
66 |
27 |
15125 |
400.6 |
-4.0 |
0.606 |
20 |
0 |
0 |
0.330 |
11 |
|
[FMN]A:400 |
31 |
1 |
597 |
f |
A |
x,y,z |
1_555 |
66 |
27 |
14982 |
400.4 |
-4.3 |
0.565 |
18 |
0 |
0 |
0.330 |
12 |
|
[FMN]B:400 |
31 |
1 |
600 |
f |
B |
x,y,z |
1_555 |
67 |
27 |
15199 |
400.1 |
-4.4 |
0.564 |
20 |
0 |
0 |
0.330 |
13 |
|
[FMN]F:400 |
31 |
1 |
598 |
f |
F |
x,y,z |
1_555 |
69 |
28 |
15185 |
398.2 |
-3.7 |
0.603 |
17 |
0 |
0 |
0.330 |
14 |
|
[FMN]E:400 |
31 |
1 |
597 |
f |
E |
x,y,z |
1_555 |
61 |
25 |
15040 |
397.6 |
-4.2 |
0.529 |
20 |
0 |
0 |
0.330 |
15 |
|
[FMN]C:400 |
31 |
1 |
599 |
f |
C |
x,y,z |
1_555 |
66 |
27 |
15020 |
397.4 |
-3.9 |
0.603 |
18 |
0 |
0 |
0.330 |
16 |
|
[FMN]G:400 |
31 |
1 |
600 |
f |
G |
x,y,z |
1_555 |
63 |
26 |
15011 |
396.1 |
-3.8 |
0.596 |
19 |
0 |
0 |
0.330 |
Average: |
399.5 |
-4.2 |
0.572 |
19 |
0 |
0 |
0.330 |
3 |
17 |
|
A |
46 |
11 |
14982 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
46 |
13 |
15185 |
389.9 |
2.6 |
0.808 |
5 |
1 |
0 |
0.000 |
18 |
|
E |
46 |
12 |
15040 |
◊ |
B |
x,y,z |
1_555 |
42 |
11 |
15199 |
359.8 |
2.1 |
0.771 |
5 |
1 |
0 |
0.000 |
Average: |
374.8 |
2.3 |
0.790 |
5 |
1 |
0 |
0.000 |
4 |
19 |
|
B |
34 |
11 |
15199 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
33 |
11 |
15332 |
267.4 |
1.1 |
0.667 |
6 |
2 |
0 |
0.000 |
20 |
|
F |
22 |
7 |
15185 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
25 |
9 |
15125 |
177.3 |
0.8 |
0.714 |
3 |
2 |
0 |
0.000 |
Average: |
222.4 |
0.9 |
0.690 |
5 |
2 |
0 |
0.000 |
5 |
21 |
|
B |
32 |
11 |
15199 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
8 |
15040 |
254.5 |
3.0 |
0.840 |
3 |
4 |
0 |
0.000 |
22 |
|
A |
27 |
8 |
14982 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
7 |
15185 |
202.2 |
0.5 |
0.651 |
2 |
4 |
0 |
0.000 |
Average: |
228.4 |
1.7 |
0.745 |
3 |
4 |
0 |
0.000 |
6 |
23 |
|
G |
22 |
8 |
15011 |
◊ |
D |
x,y,z |
1_555 |
26 |
13 |
15332 |
187.4 |
0.6 |
0.672 |
3 |
0 |
0 |
0.000 |
24 |
|
C |
12 |
4 |
15020 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
16 |
7 |
15125 |
114.3 |
-0.2 |
0.567 |
0 |
0 |
0 |
0.000 |
Average: |
150.9 |
0.2 |
0.619 |
2 |
0 |
0 |
0.000 |
7 |
25 |
|
[PYR]D:401 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
15332 |
125.4 |
4.5 |
0.555 |
4 |
0 |
0 |
0.000 |
26 |
|
[PYR]H:401 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
21 |
11 |
15125 |
125.4 |
4.0 |
0.531 |
6 |
0 |
0 |
0.000 |
Average: |
125.4 |
4.3 |
0.543 |
5 |
0 |
0 |
0.000 |
8 |
27 |
|
B |
15 |
5 |
15199 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
15011 |
108.9 |
1.1 |
0.749 |
1 |
0 |
0 |
0.000 |
28 |
|
C |
11 |
3 |
15020 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
15185 |
97.5 |
2.2 |
0.879 |
2 |
2 |
0 |
0.000 |
Average: |
103.2 |
1.6 |
0.814 |
2 |
1 |
0 |
0.000 |
9 |
29 |
|
D |
18 |
7 |
15332 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
16 |
6 |
15011 |
108.7 |
-1.4 |
0.378 |
1 |
1 |
0 |
0.000 |
30 |
|
C |
12 |
5 |
15020 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
15125 |
86.1 |
-1.3 |
0.348 |
1 |
1 |
0 |
0.000 |
Average: |
97.4 |
-1.3 |
0.363 |
1 |
1 |
0 |
0.000 |
10 |
31 |
|
D |
11 |
2 |
15332 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
15125 |
103.6 |
1.5 |
0.843 |
1 |
0 |
0 |
0.000 |
11 |
32 |
|
[PYR]F:401 |
6 |
1 |
213 |
f |
F |
x,y,z |
1_555 |
17 |
11 |
15185 |
101.8 |
6.0 |
0.679 |
6 |
0 |
0 |
0.000 |
12 |
33 |
|
[PYR]E:401 |
6 |
1 |
213 |
f |
E |
x,y,z |
1_555 |
16 |
10 |
15040 |
101.7 |
4.4 |
0.630 |
8 |
0 |
0 |
0.000 |
34 |
|
[PYR]A:401 |
6 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14982 |
100.7 |
5.3 |
0.669 |
7 |
0 |
0 |
0.000 |
35 |
|
[PYR]B:401 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
15199 |
100.1 |
5.2 |
0.667 |
7 |
0 |
0 |
0.000 |
Average: |
100.8 |
5.0 |
0.655 |
7 |
0 |
0 |
0.000 |
13 |
36 |
|
[PYR]C:401 |
6 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
17 |
11 |
15020 |
100.9 |
6.0 |
0.679 |
8 |
0 |
0 |
0.000 |
37 |
|
[PYR]G:401 |
6 |
1 |
212 |
f |
G |
x,y,z |
1_555 |
17 |
10 |
15011 |
100.5 |
5.8 |
0.677 |
8 |
0 |
0 |
0.000 |
Average: |
100.7 |
5.9 |
0.678 |
8 |
0 |
0 |
0.000 |
14 |
38 |
|
A |
9 |
3 |
14982 |
◊ |
G |
x,y-1,z |
1_545 |
13 |
5 |
15011 |
82.3 |
-0.8 |
0.415 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
13 |
4 |
15020 |
◊ |
E |
x-1,y,z-1 |
1_454 |
14 |
4 |
15040 |
75.1 |
-1.0 |
0.411 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
3 |
2 |
15332 |
◊ |
F |
x-1,y,z-1 |
1_454 |
2 |
1 |
15185 |
7.5 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
55.0 |
-0.6 |
0.474 |
0 |
0 |
0 |
0.000 |
15 |
41 |
|
A |
10 |
3 |
14982 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
15040 |
77.7 |
3.2 |
0.950 |
1 |
1 |
0 |
0.000 |
16 |
42 |
|
C |
7 |
2 |
15020 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
15011 |
72.9 |
2.0 |
0.907 |
2 |
4 |
0 |
0.000 |
17 |
43 |
|
B |
13 |
7 |
15199 |
◊ |
H |
x,y-1,z |
1_545 |
10 |
3 |
15125 |
67.0 |
-0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
18 |
44 |
|
[PYR]B:401 |
6 |
1 |
214 |
f |
[FMN]B:400 |
x,y,z |
1_555 |
16 |
1 |
600 |
57.7 |
1.9 |
0.923 |
0 |
0 |
0 |
0.000 |
45 |
|
[PYR]F:401 |
6 |
1 |
213 |
f |
[FMN]F:400 |
x,y,z |
1_555 |
15 |
1 |
598 |
55.6 |
1.7 |
0.911 |
0 |
0 |
0 |
0.000 |
46 |
|
[PYR]A:401 |
6 |
1 |
211 |
f |
[FMN]A:400 |
x,y,z |
1_555 |
16 |
1 |
597 |
54.9 |
1.9 |
0.922 |
0 |
0 |
0 |
0.000 |
47 |
|
[PYR]E:401 |
6 |
1 |
213 |
f |
[FMN]E:400 |
x,y,z |
1_555 |
16 |
1 |
597 |
54.7 |
1.8 |
0.912 |
0 |
0 |
0 |
0.000 |
Average: |
55.7 |
1.8 |
0.917 |
0 |
0 |
0 |
0.000 |
19 |
48 |
|
[PYR]D:401 |
5 |
1 |
218 |
f |
[FMN]D:400 |
x,y,z |
1_555 |
14 |
1 |
605 |
57.6 |
1.6 |
0.909 |
0 |
0 |
0 |
0.000 |
20 |
49 |
|
[PYR]G:401 |
6 |
1 |
212 |
f |
[FMN]G:400 |
x,y,z |
1_555 |
16 |
1 |
600 |
56.9 |
1.9 |
0.919 |
0 |
0 |
0 |
0.000 |
21 |
50 |
|
[PYR]C:401 |
6 |
1 |
211 |
f |
[FMN]C:400 |
x,y,z |
1_555 |
16 |
1 |
599 |
56.6 |
2.0 |
0.920 |
0 |
0 |
0 |
0.000 |
22 |
51 |
|
[PYR]H:401 |
5 |
1 |
216 |
f |
[FMN]H:400 |
x,y,z |
1_555 |
14 |
1 |
600 |
54.2 |
1.5 |
0.914 |
0 |
0 |
0 |
0.000 |
23 |
52 |
|
B |
10 |
4 |
15199 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
4 |
15011 |
52.1 |
1.7 |
0.872 |
1 |
1 |
0 |
0.000 |
53 |
|
C |
6 |
3 |
15020 |
◊ |
F |
x-1,y,z-1 |
1_454 |
8 |
4 |
15185 |
37.8 |
0.8 |
0.781 |
0 |
0 |
0 |
0.000 |
Average: |
44.9 |
1.2 |
0.827 |
1 |
1 |
0 |
0.000 |
24 |
54 |
|
E |
2 |
1 |
15040 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
3 |
15125 |
50.0 |
1.2 |
0.786 |
1 |
1 |
0 |
0.000 |
55 |
|
A |
3 |
1 |
14982 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
15332 |
44.8 |
-1.1 |
0.140 |
0 |
0 |
0 |
0.000 |
Average: |
47.4 |
0.1 |
0.463 |
1 |
1 |
0 |
0.000 |
25 |
56 |
|
A |
5 |
1 |
14982 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
15040 |
35.5 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
26 |
57 |
|
E |
5 |
2 |
15040 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15332 |
25.9 |
0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
27 |
58 |
|
D |
2 |
1 |
15332 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
15125 |
24.2 |
1.1 |
0.920 |
0 |
0 |
0 |
0.000 |
28 |
59 |
|
G |
1 |
1 |
15011 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
15185 |
1.4 |
-0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
60 |
|
D |
1 |
1 |
15332 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14982 |
0.6 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
61 |
|
C |
1 |
1 |
15020 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15199 |
0.5 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
|