| ## |
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 |
88 |
22445 |
◊ |
C |
x,y,z |
1_555 |
331 |
86 |
22411 |
3290.1 |
-56.3 |
0.001 |
32 |
1 |
0 |
0.307 |
2 |
|
B |
331 |
87 |
22055 |
◊ |
A |
x,y,z |
1_555 |
341 |
88 |
22379 |
3288.0 |
-56.7 |
0.001 |
30 |
1 |
0 |
0.307 |
| Average: |
3289.0 |
-56.5 |
0.001 |
31 |
1 |
0 |
0.307 |
| 2 |
3 |
|
[FAD]A:998 |
53 |
1 |
1009 |
f |
A |
x,y,z |
1_555 |
107 |
44 |
22379 |
723.8 |
-9.3 |
0.472 |
14 |
0 |
0 |
0.144 |
4 |
|
[FAD]B:998 |
53 |
1 |
1010 |
f |
B |
x,y,z |
1_555 |
112 |
46 |
22055 |
723.0 |
-8.9 |
0.502 |
16 |
0 |
0 |
0.144 |
5 |
|
[FAD]D:998 |
53 |
1 |
1011 |
f |
D |
x,y,z |
1_555 |
111 |
46 |
22445 |
718.6 |
-9.3 |
0.493 |
17 |
0 |
0 |
0.144 |
6 |
|
[FAD]C:998 |
53 |
1 |
998 |
f |
C |
x,y,z |
1_555 |
109 |
47 |
22411 |
715.8 |
-9.1 |
0.485 |
16 |
0 |
0 |
0.144 |
| Average: |
720.3 |
-9.2 |
0.488 |
16 |
0 |
0 |
0.144 |
| 3 |
7 |
|
A |
55 |
18 |
22379 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
58 |
17 |
22445 |
546.1 |
-0.2 |
0.768 |
8 |
2 |
0 |
0.000 |
| 4 |
8 |
|
D |
66 |
21 |
22445 |
◊ |
B |
x,y,z-1 |
1_554 |
52 |
17 |
22055 |
532.5 |
-1.8 |
0.662 |
6 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[WP7]C:1000 |
26 |
1 |
707 |
f |
C |
x,y,z |
1_555 |
52 |
15 |
22411 |
351.8 |
-14.6 |
0.365 |
0 |
0 |
0 |
0.126 |
10 |
|
[WP7]D:1000 |
26 |
1 |
711 |
f |
D |
x,y,z |
1_555 |
49 |
14 |
22445 |
349.5 |
-14.3 |
0.373 |
0 |
0 |
0 |
0.126 |
11 |
|
[WP7]A:1000 |
25 |
1 |
712 |
f |
A |
x,y,z |
1_555 |
53 |
16 |
22379 |
348.9 |
-14.4 |
0.361 |
0 |
0 |
0 |
0.126 |
| Average: |
350.1 |
-14.4 |
0.366 |
0 |
0 |
0 |
0.126 |
| 6 |
12 |
|
A |
45 |
13 |
22379 |
◊ |
C |
x,y-1,z |
1_545 |
35 |
9 |
22411 |
342.0 |
-3.3 |
0.424 |
5 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[WP7]B:1000 |
25 |
1 |
715 |
f |
B |
x,y,z |
1_555 |
50 |
13 |
22055 |
334.0 |
-13.9 |
0.393 |
0 |
0 |
0 |
0.058 |
| 8 |
14 |
|
B |
35 |
12 |
22055 |
x |
B |
-x-1,y-1/2,-z+1 |
2_446 |
32 |
8 |
22055 |
282.2 |
4.8 |
0.965 |
9 |
8 |
0 |
0.000 |
| 9 |
15 |
|
A |
29 |
14 |
22379 |
x |
A |
x,y-1,z |
1_545 |
34 |
12 |
22379 |
269.1 |
5.7 |
0.960 |
5 |
3 |
0 |
0.000 |
| 10 |
16 |
|
D |
27 |
11 |
22445 |
x |
D |
x,y-1,z |
1_545 |
28 |
8 |
22445 |
241.0 |
2.1 |
0.827 |
7 |
0 |
0 |
0.000 |
| 11 |
17 |
|
C |
29 |
10 |
22411 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
36 |
13 |
22411 |
234.5 |
0.1 |
0.744 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
C |
23 |
8 |
22411 |
◊ |
D |
x,y-1,z |
1_545 |
29 |
14 |
22445 |
202.5 |
-0.2 |
0.677 |
0 |
1 |
0 |
0.000 |
| 13 |
19 |
|
D |
20 |
8 |
22445 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
17 |
6 |
22411 |
167.3 |
-2.2 |
0.242 |
1 |
2 |
0 |
0.000 |
| 14 |
20 |
|
D |
17 |
5 |
22445 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
18 |
8 |
22411 |
138.6 |
2.5 |
0.897 |
2 |
2 |
0 |
0.000 |
| 15 |
21 |
|
A |
16 |
6 |
22379 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
22055 |
127.4 |
2.8 |
0.922 |
3 |
5 |
0 |
0.000 |
| 16 |
22 |
|
A |
15 |
7 |
22379 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
7 |
22055 |
116.5 |
1.4 |
0.841 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
B |
11 |
5 |
22055 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
5 |
22379 |
90.0 |
1.0 |
0.709 |
2 |
1 |
0 |
0.000 |
| 18 |
24 |
|
C |
8 |
3 |
22411 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
12 |
4 |
22445 |
77.7 |
-0.5 |
0.554 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[CL]D:1490 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
22445 |
76.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.108 |
26 |
|
[CL]C:1490 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
22411 |
75.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.108 |
27 |
|
[CL]A:1489 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
22379 |
75.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.108 |
28 |
|
[CL]B:2002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
22055 |
75.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
75.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| 20 |
29 |
|
[CL]B:2001 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22055 |
76.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.092 |
30 |
|
[CL]A:1488 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22379 |
75.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.092 |
31 |
|
[CL]D:1489 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
22445 |
74.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
75.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.092 |
| 21 |
32 |
|
[CL]A:1490 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22379 |
70.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.087 |
33 |
|
[CL]B:2003 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
22055 |
69.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.087 |
34 |
|
[CL]C:1491 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
22411 |
69.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.087 |
35 |
|
[CL]D:1491 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
22445 |
66.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.087 |
| Average: |
69.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.087 |
| 22 |
36 |
|
[NA]C:1492 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
22411 |
69.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.093 |
37 |
|
[NA]D:1493 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
22445 |
67.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.093 |
38 |
|
[NA]B:2004 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
22055 |
67.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.093 |
39 |
|
[NA]A:1492 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22379 |
64.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
67.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.093 |
| 23 |
40 |
|
C |
7 |
5 |
22411 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
22379 |
64.5 |
-1.4 |
0.268 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[NA]D:1492 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
22445 |
64.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.086 |
42 |
|
[NA]B:2005 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
22055 |
64.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.086 |
43 |
|
[NA]A:1491 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22379 |
63.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.086 |
44 |
|
[NA]C:1493 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
22411 |
63.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
64.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| 25 |
45 |
|
B |
6 |
3 |
22055 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
2 |
22379 |
58.2 |
-0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
| 26 |
46 |
|
[FAD]D:998 |
5 |
1 |
1011 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
22411 |
55.3 |
0.1 |
0.591 |
1 |
0 |
0 |
0.003 |
47 |
|
[FAD]C:998 |
5 |
1 |
998 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
22445 |
53.7 |
-0.0 |
0.559 |
1 |
0 |
0 |
0.003 |
48 |
|
[FAD]A:998 |
5 |
1 |
1009 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
22055 |
53.2 |
0.1 |
0.586 |
1 |
0 |
0 |
0.003 |
49 |
|
[FAD]B:998 |
5 |
1 |
1010 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
22379 |
52.0 |
0.0 |
0.566 |
1 |
0 |
0 |
0.003 |
| Average: |
53.6 |
0.1 |
0.575 |
1 |
0 |
0 |
0.003 |
| 27 |
50 |
|
B |
5 |
2 |
22055 |
x |
B |
x,y-1,z |
1_545 |
6 |
3 |
22055 |
47.8 |
0.3 |
0.680 |
0 |
1 |
0 |
0.000 |
| 28 |
51 |
|
C |
4 |
2 |
22411 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
2 |
22445 |
32.6 |
0.8 |
0.859 |
2 |
2 |
0 |
0.000 |
| 29 |
52 |
|
[NA]A:1492 |
1 |
1 |
125 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
22445 |
28.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
53 |
|
B |
3 |
1 |
22055 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
22379 |
25.9 |
0.4 |
0.784 |
0 |
1 |
0 |
0.000 |
| 31 |
54 |
|
[WP7]B:1000 |
3 |
1 |
715 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22379 |
20.7 |
-0.3 |
0.781 |
0 |
0 |
0 |
0.001 |
| 32 |
55 |
|
C |
3 |
2 |
22411 |
◊ |
[WP7]C:1000 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
707 |
13.4 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
[NA]A:1491 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22055 |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
57 |
|
[NA]C:1493 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22445 |
7.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
|
[NA]D:1492 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22411 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
59 |
|
[NA]B:2005 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22379 |
6.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
7.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 34 |
60 |
|
B |
2 |
1 |
22055 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
22055 |
7.6 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
| 35 |
61 |
|
[WP7]C:1000 |
1 |
1 |
707 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22445 |
2.1 |
0.0 |
0.845 |
0 |
0 |
0 |
0.000 |
| 36 |
62 |
|
A |
1 |
1 |
22379 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
22445 |
1.2 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
|