## |
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 |
334 |
84 |
12417 |
◊ |
A |
x,y,z |
1_555 |
345 |
86 |
12312 |
3418.0 |
-39.0 |
0.202 |
44 |
5 |
0 |
0.827 |
2 |
|
D |
339 |
85 |
12476 |
◊ |
C |
x,y,z |
1_555 |
344 |
86 |
12450 |
3402.4 |
-38.7 |
0.223 |
44 |
5 |
0 |
0.827 |
Average: |
3410.2 |
-38.9 |
0.213 |
44 |
5 |
0 |
0.827 |
2 |
3 |
|
C |
44 |
13 |
12450 |
◊ |
B |
x,y,z |
1_555 |
46 |
13 |
12417 |
466.6 |
-2.6 |
0.627 |
4 |
3 |
0 |
0.000 |
3 |
4 |
|
C |
48 |
14 |
12450 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
45 |
13 |
12476 |
356.2 |
-0.8 |
0.741 |
6 |
8 |
0 |
0.000 |
5 |
|
B |
42 |
9 |
12417 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
12 |
12312 |
334.2 |
-0.8 |
0.717 |
6 |
7 |
0 |
0.000 |
Average: |
345.2 |
-0.8 |
0.729 |
6 |
8 |
0 |
0.000 |
4 |
6 |
|
B |
37 |
12 |
12417 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
35 |
10 |
12476 |
307.8 |
-2.3 |
0.526 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
[FMN]A:1218 |
28 |
1 |
613 |
f |
A |
x,y,z |
1_555 |
43 |
18 |
12312 |
289.9 |
-1.6 |
0.734 |
14 |
0 |
0 |
0.218 |
8 |
|
[FMN]B:2218 |
27 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
39 |
18 |
12417 |
289.7 |
-1.4 |
0.716 |
14 |
0 |
0 |
0.218 |
9 |
|
[FMN]D:4218 |
27 |
1 |
613 |
f |
D |
x,y,z |
1_555 |
41 |
18 |
12476 |
289.3 |
-1.5 |
0.740 |
14 |
0 |
0 |
0.218 |
10 |
|
[FMN]C:3218 |
28 |
1 |
613 |
f |
C |
x,y,z |
1_555 |
41 |
18 |
12450 |
283.6 |
-1.6 |
0.726 |
14 |
0 |
0 |
0.218 |
Average: |
288.1 |
-1.5 |
0.729 |
14 |
0 |
0 |
0.218 |
6 |
11 |
|
D |
33 |
10 |
12476 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
7 |
12450 |
224.7 |
-2.5 |
0.445 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
17 |
6 |
12312 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
32 |
10 |
12417 |
205.6 |
-3.1 |
0.263 |
1 |
0 |
0 |
0.000 |
Average: |
215.1 |
-2.8 |
0.354 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
A |
21 |
7 |
12312 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
23 |
9 |
12312 |
205.5 |
-1.0 |
0.556 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
22 |
8 |
12450 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
22 |
8 |
12450 |
202.4 |
-0.9 |
0.573 |
1 |
0 |
0 |
0.000 |
Average: |
204.0 |
-1.0 |
0.565 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
[FMN]A:1218 |
24 |
1 |
613 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
12417 |
177.0 |
-2.5 |
0.591 |
1 |
0 |
0 |
0.075 |
16 |
|
[FMN]D:4218 |
24 |
1 |
613 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
12450 |
176.8 |
-2.5 |
0.609 |
1 |
0 |
0 |
0.075 |
17 |
|
[FMN]B:2218 |
24 |
1 |
616 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
12312 |
176.1 |
-2.3 |
0.615 |
1 |
0 |
0 |
0.075 |
18 |
|
[FMN]C:3218 |
25 |
1 |
613 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
12476 |
172.5 |
-2.4 |
0.607 |
0 |
0 |
0 |
0.075 |
Average: |
175.6 |
-2.4 |
0.605 |
1 |
0 |
0 |
0.075 |
9 |
19 |
|
[NFZ]B:2219 |
14 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
12417 |
144.6 |
4.0 |
0.403 |
3 |
0 |
0 |
0.000 |
20 |
|
[NFZ]D:4219 |
13 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
12476 |
143.8 |
3.9 |
0.433 |
3 |
0 |
0 |
0.000 |
21 |
|
[NFZ]A:1219 |
14 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
12312 |
143.4 |
3.8 |
0.406 |
3 |
0 |
0 |
0.000 |
22 |
|
[NFZ]C:3219 |
14 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
12450 |
130.7 |
3.4 |
0.419 |
2 |
0 |
0 |
0.000 |
Average: |
140.6 |
3.8 |
0.415 |
3 |
0 |
0 |
0.000 |
10 |
23 |
|
[DMS]C:1223 |
4 |
1 |
209 |
◊ |
C |
x,y,z |
1_555 |
19 |
10 |
12450 |
123.2 |
2.8 |
0.558 |
0 |
0 |
0 |
0.000 |
11 |
24 |
|
[CIT]C:4220 |
9 |
1 |
313 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
12450 |
106.3 |
2.0 |
0.676 |
2 |
0 |
0 |
0.000 |
12 |
25 |
|
B |
15 |
5 |
12417 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
10 |
3 |
12312 |
101.2 |
-1.9 |
0.306 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
7 |
2 |
12450 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
3 |
12476 |
81.9 |
-1.0 |
0.421 |
0 |
0 |
0 |
0.000 |
Average: |
91.5 |
-1.4 |
0.363 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
D |
9 |
3 |
12476 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
4 |
12312 |
87.8 |
-0.9 |
0.480 |
0 |
1 |
0 |
0.000 |
14 |
28 |
|
[NFZ]A:1219 |
10 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12417 |
84.0 |
-0.8 |
0.096 |
1 |
0 |
0 |
0.033 |
29 |
|
[NFZ]D:4219 |
10 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12450 |
84.0 |
-0.8 |
0.091 |
1 |
0 |
0 |
0.033 |
30 |
|
[NFZ]B:2219 |
10 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
12312 |
82.1 |
-0.7 |
0.097 |
1 |
0 |
0 |
0.033 |
31 |
|
[NFZ]C:3219 |
10 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
12476 |
78.3 |
-0.7 |
0.106 |
1 |
0 |
0 |
0.033 |
Average: |
82.1 |
-0.7 |
0.098 |
1 |
0 |
0 |
0.033 |
15 |
32 |
|
[NFZ]B:2219 |
12 |
1 |
364 |
◊ |
[FMN]B:2218 |
x,y,z |
1_555 |
14 |
1 |
616 |
81.4 |
0.9 |
0.164 |
1 |
0 |
0 |
0.000 |
33 |
|
[NFZ]A:1219 |
12 |
1 |
363 |
◊ |
[FMN]A:1218 |
x,y,z |
1_555 |
15 |
1 |
613 |
79.8 |
0.9 |
0.164 |
1 |
0 |
0 |
0.000 |
34 |
|
[NFZ]D:4219 |
12 |
1 |
363 |
◊ |
[FMN]D:4218 |
x,y,z |
1_555 |
15 |
1 |
613 |
79.8 |
0.9 |
0.152 |
1 |
0 |
0 |
0.000 |
35 |
|
[NFZ]C:3219 |
12 |
1 |
364 |
◊ |
[FMN]C:3218 |
x,y,z |
1_555 |
14 |
1 |
613 |
73.5 |
0.8 |
0.162 |
1 |
0 |
0 |
0.000 |
Average: |
78.6 |
0.9 |
0.160 |
1 |
0 |
0 |
0.000 |
16 |
36 |
|
D |
9 |
2 |
12476 |
x |
D |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
5 |
12476 |
75.0 |
0.2 |
0.737 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
11 |
5 |
12417 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
2 |
12417 |
69.5 |
0.2 |
0.729 |
1 |
0 |
0 |
0.000 |
Average: |
72.3 |
0.2 |
0.733 |
1 |
0 |
0 |
0.000 |
17 |
38 |
|
[DMS]C:1224 |
3 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
12 |
2 |
12450 |
59.6 |
0.1 |
0.360 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[DMS]C:1224 |
3 |
1 |
208 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
12476 |
57.3 |
1.8 |
0.562 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[DMS]B:1225 |
4 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
12417 |
51.7 |
0.2 |
0.303 |
0 |
0 |
0 |
0.000 |
20 |
41 |
|
A |
11 |
6 |
12312 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
6 |
12476 |
49.5 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[CIT]C:4220 |
6 |
1 |
313 |
f |
[NFZ]C:3219 |
x,y,z |
1_555 |
5 |
1 |
364 |
48.8 |
1.2 |
0.392 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
[CIT]C:4220 |
4 |
1 |
313 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
12476 |
46.2 |
-0.2 |
0.434 |
0 |
0 |
0 |
0.003 |
23 |
44 |
|
[DMS]B:1225 |
3 |
1 |
206 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
12417 |
40.9 |
0.5 |
0.269 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
D |
4 |
3 |
12476 |
◊ |
[DMS]C:1223 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
209 |
31.4 |
0.6 |
0.254 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
B |
2 |
1 |
12417 |
◊ |
[DMS]C:1224 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
208 |
25.0 |
0.7 |
0.457 |
0 |
0 |
0 |
0.000 |
26 |
47 |
|
[CIT]C:4220 |
4 |
1 |
313 |
◊ |
[FMN]C:3218 |
x,y,z |
1_555 |
3 |
1 |
613 |
21.3 |
0.6 |
0.536 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
[DMS]B:1225 |
2 |
1 |
206 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
12312 |
11.2 |
0.5 |
0.609 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
C |
3 |
1 |
12450 |
f |
[DMS]C:1223 |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
209 |
9.8 |
-0.2 |
0.553 |
0 |
0 |
0 |
0.002 |
29 |
50 |
|
C |
3 |
2 |
12450 |
x |
C |
x,y-1,z |
1_545 |
1 |
1 |
12450 |
7.1 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
2 |
1 |
12417 |
x |
B |
x,y-1,z |
1_545 |
1 |
1 |
12417 |
4.2 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
1 |
1 |
12312 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
12312 |
3.2 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
53 |
|
D |
1 |
1 |
12476 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
12476 |
1.0 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
Average: |
3.9 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
[DMS]B:1225 |
1 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
12312 |
4.1 |
0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
|