## |
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 |
330 |
86 |
22248 |
◊ |
C |
x,y,z |
1_555 |
329 |
88 |
21945 |
3313.3 |
-57.4 |
0.000 |
37 |
2 |
0 |
0.383 |
2 |
|
B |
327 |
87 |
21927 |
◊ |
A |
x,y,z |
1_555 |
332 |
88 |
22367 |
3300.8 |
-56.0 |
0.000 |
38 |
2 |
0 |
0.383 |
Average: |
3307.0 |
-56.7 |
0.000 |
38 |
2 |
0 |
0.383 |
2 |
3 |
|
[FAD]B:998 |
53 |
1 |
1002 |
f |
B |
x,y,z |
1_555 |
116 |
48 |
21927 |
725.5 |
-8.6 |
0.508 |
15 |
0 |
0 |
0.154 |
4 |
|
[FAD]C:998 |
53 |
1 |
1004 |
f |
C |
x,y,z |
1_555 |
114 |
46 |
21945 |
721.6 |
-9.0 |
0.514 |
17 |
0 |
0 |
0.154 |
5 |
|
[FAD]A:998 |
53 |
1 |
1002 |
f |
A |
x,y,z |
1_555 |
114 |
47 |
22367 |
718.7 |
-7.9 |
0.545 |
14 |
0 |
0 |
0.154 |
6 |
|
[FAD]D:998 |
52 |
1 |
1007 |
f |
D |
x,y,z |
1_555 |
106 |
42 |
22248 |
705.8 |
-9.6 |
0.483 |
16 |
0 |
0 |
0.154 |
Average: |
717.9 |
-8.8 |
0.512 |
16 |
0 |
0 |
0.154 |
3 |
7 |
|
D |
63 |
18 |
22248 |
◊ |
B |
x,y,z-1 |
1_554 |
58 |
18 |
21927 |
511.5 |
-2.9 |
0.581 |
5 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
54 |
19 |
22367 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
56 |
16 |
22248 |
474.2 |
0.8 |
0.751 |
6 |
3 |
0 |
0.000 |
5 |
9 |
|
A |
41 |
11 |
22367 |
◊ |
C |
x,y-1,z |
1_545 |
34 |
9 |
21945 |
330.0 |
-2.6 |
0.452 |
5 |
0 |
0 |
0.000 |
6 |
10 |
|
[WP5]C:1000 |
20 |
1 |
537 |
f |
C |
x,y,z |
1_555 |
51 |
14 |
21945 |
323.4 |
-5.5 |
0.378 |
0 |
0 |
0 |
0.062 |
11 |
|
[WP5]B:1000 |
19 |
1 |
530 |
f |
B |
x,y,z |
1_555 |
50 |
15 |
21927 |
322.2 |
-5.6 |
0.354 |
0 |
0 |
0 |
0.062 |
12 |
|
[WP5]A:1000 |
20 |
1 |
532 |
f |
A |
x,y,z |
1_555 |
46 |
13 |
22367 |
319.2 |
-6.2 |
0.315 |
0 |
0 |
0 |
0.062 |
13 |
|
[WP5]D:1000 |
21 |
1 |
533 |
f |
D |
x,y,z |
1_555 |
46 |
12 |
22248 |
313.1 |
-6.3 |
0.336 |
0 |
0 |
0 |
0.062 |
Average: |
319.5 |
-5.9 |
0.346 |
0 |
0 |
0 |
0.062 |
7 |
14 |
|
B |
31 |
11 |
21927 |
x |
B |
-x-1,y-1/2,-z+1 |
2_446 |
31 |
9 |
21927 |
310.8 |
6.5 |
0.985 |
7 |
10 |
0 |
0.000 |
8 |
15 |
|
D |
37 |
10 |
22248 |
x |
D |
x,y-1,z |
1_545 |
39 |
10 |
22248 |
294.2 |
2.0 |
0.852 |
4 |
0 |
0 |
0.000 |
9 |
16 |
|
A |
32 |
14 |
22367 |
x |
A |
x,y-1,z |
1_545 |
36 |
13 |
22367 |
258.1 |
4.2 |
0.918 |
5 |
2 |
0 |
0.000 |
10 |
17 |
|
[MRD]A:1491 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
22367 |
179.4 |
2.5 |
0.526 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
C |
22 |
8 |
21945 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
17 |
5 |
21945 |
173.0 |
3.3 |
0.943 |
2 |
5 |
0 |
0.000 |
12 |
19 |
|
[MPD]D:1491 |
7 |
1 |
283 |
f |
D |
x,y,z |
1_555 |
34 |
12 |
22248 |
172.6 |
-14.2 |
0.496 |
2 |
0 |
0 |
0.068 |
13 |
20 |
|
[MPD]D:1492 |
7 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
23 |
7 |
22248 |
162.3 |
-10.6 |
0.571 |
1 |
0 |
0 |
0.050 |
14 |
21 |
|
D |
18 |
5 |
22248 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
7 |
21945 |
142.4 |
2.0 |
0.891 |
1 |
1 |
0 |
0.000 |
15 |
22 |
|
A |
18 |
9 |
22367 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
22 |
10 |
21927 |
135.3 |
1.2 |
0.823 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
A |
16 |
7 |
22367 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
21927 |
133.7 |
2.7 |
0.903 |
3 |
3 |
0 |
0.000 |
17 |
24 |
|
[MRD]A:1492 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
22367 |
101.6 |
1.7 |
0.413 |
3 |
0 |
0 |
0.000 |
18 |
25 |
|
B |
12 |
5 |
21927 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
5 |
22367 |
100.4 |
1.2 |
0.677 |
1 |
1 |
0 |
0.000 |
19 |
26 |
|
[MRD]A:1492 |
7 |
1 |
273 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
18 |
8 |
22248 |
100.2 |
1.9 |
0.433 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[CL]C:1487 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
21945 |
78.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.130 |
28 |
|
[CL]A:1488 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
22367 |
75.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.130 |
29 |
|
[CL]D:1487 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
22248 |
75.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.130 |
30 |
|
[CL]B:1487 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
21927 |
75.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
76.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.130 |
21 |
31 |
|
[CL]A:1489 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22367 |
78.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.113 |
32 |
|
[CL]C:1488 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
21945 |
76.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.113 |
33 |
|
[CL]B:1488 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
21927 |
74.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.113 |
34 |
|
[CL]D:1488 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
22248 |
73.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
75.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.113 |
22 |
35 |
|
C |
15 |
7 |
21945 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
13 |
3 |
22248 |
71.3 |
-0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
C |
7 |
3 |
21945 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
22367 |
69.0 |
-1.6 |
0.182 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[NA]D:1490 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
22248 |
67.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.052 |
38 |
|
[NA]B:1490 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
21927 |
67.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
67.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.052 |
25 |
39 |
|
[NA]B:1489 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
21927 |
67.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.100 |
40 |
|
[NA]D:1489 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
22248 |
63.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[NA]A:1490 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22367 |
62.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
42 |
|
[NA]C:1489 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
21945 |
62.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
63.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
43 |
|
C |
6 |
3 |
21945 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
4 |
22248 |
54.3 |
-0.7 |
0.455 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[FAD]D:998 |
5 |
1 |
1007 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
21945 |
54.2 |
0.2 |
0.593 |
1 |
0 |
0 |
0.004 |
45 |
|
[FAD]C:998 |
5 |
1 |
1004 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
22248 |
53.5 |
0.0 |
0.588 |
1 |
0 |
0 |
0.004 |
46 |
|
[FAD]A:998 |
5 |
1 |
1002 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
21927 |
53.3 |
0.0 |
0.581 |
1 |
0 |
0 |
0.004 |
47 |
|
[FAD]B:998 |
5 |
1 |
1002 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22367 |
49.3 |
0.1 |
0.563 |
1 |
0 |
0 |
0.004 |
Average: |
52.6 |
0.1 |
0.581 |
1 |
0 |
0 |
0.004 |
28 |
48 |
|
[MRD]A:1492 |
4 |
1 |
273 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
21927 |
52.7 |
0.5 |
0.307 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
B |
5 |
2 |
21927 |
x |
B |
x,y-1,z |
1_545 |
4 |
2 |
21927 |
50.8 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
D |
6 |
4 |
22248 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
7 |
3 |
21945 |
39.7 |
1.1 |
0.857 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
C |
7 |
4 |
21945 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
2 |
22248 |
35.1 |
0.6 |
0.795 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
B |
5 |
3 |
21927 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
22367 |
30.7 |
0.8 |
0.633 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
B |
3 |
2 |
21927 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
21927 |
27.7 |
-0.5 |
0.353 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[MPD]D:1491 |
3 |
1 |
283 |
f |
[FAD]D:998 |
x,y,z |
1_555 |
2 |
1 |
1007 |
18.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
35 |
55 |
|
[NA]A:1490 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
21927 |
14.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
|
[NA]C:1489 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22248 |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
57 |
|
[NA]B:1489 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22367 |
9.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
58 |
|
[NA]D:1489 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21945 |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
11.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
36 |
59 |
|
[MRD]A:1491 |
3 |
1 |
282 |
f |
[FAD]A:998 |
x,y,z |
1_555 |
2 |
1 |
1002 |
12.2 |
-0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
37 |
60 |
|
[NA]D:1490 |
1 |
1 |
125 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
21945 |
5.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
61 |
|
B |
1 |
1 |
21927 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
22367 |
3.3 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
A |
1 |
1 |
22367 |
◊ |
[NA]B:1490 |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
125 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|