| ## |
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 |
108 |
36 |
19330 |
◊ |
A |
-x+2,y,-z+3/2 |
3_756 |
109 |
38 |
20012 |
924.2 |
4.8 |
0.894 |
12 |
5 |
0 |
0.000 |
| 2 |
2 |
|
[FAD]A:601 |
52 |
1 |
963 |
cf |
A |
x,y,z |
1_555 |
95 |
40 |
20012 |
688.7 |
-8.8 |
0.367 |
19 |
0 |
0 |
0.000 |
3 |
|
[FAD]B:602 |
52 |
1 |
961 |
cf |
B |
x,y,z |
1_555 |
99 |
40 |
19330 |
687.6 |
-8.7 |
0.397 |
19 |
0 |
0 |
0.000 |
| Average: |
688.2 |
-8.7 |
0.382 |
19 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
44 |
13 |
20012 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
44 |
13 |
20012 |
460.4 |
1.5 |
0.749 |
11 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
40 |
11 |
20012 |
◊ |
B |
-x+5/2,-y+5/2,z-1/2 |
6_774 |
41 |
12 |
19330 |
398.7 |
4.0 |
0.909 |
9 |
4 |
0 |
0.000 |
| 5 |
6 |
|
A |
26 |
8 |
20012 |
◊ |
B |
-x+2,-y+2,z-1/2 |
2_774 |
24 |
8 |
19330 |
281.0 |
-4.3 |
0.088 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]B:603 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
19330 |
137.5 |
-0.6 |
0.566 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[GOL]A:609 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
20012 |
136.9 |
-1.1 |
0.393 |
6 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[IPA]A:602 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
20012 |
133.4 |
4.9 |
0.446 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[IPA]B:612 |
4 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
19330 |
132.6 |
4.7 |
0.397 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[IPA]B:604 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
19330 |
126.5 |
5.1 |
0.521 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[IPA]B:611 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
19330 |
125.5 |
5.7 |
0.712 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[IPA]A:604 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
20012 |
123.6 |
5.9 |
0.551 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[IPA]B:613 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
19330 |
123.4 |
4.7 |
0.385 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[IPA]A:603 |
4 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20012 |
123.2 |
5.3 |
0.496 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[IPA]B:606 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
19330 |
122.0 |
3.4 |
0.383 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[IPA]B:601 |
4 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
19330 |
121.4 |
4.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[IPA]A:611 |
4 |
1 |
195 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
20012 |
121.4 |
4.6 |
0.424 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[IPA]A:612 |
4 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
20012 |
119.7 |
4.9 |
0.520 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[IPA]B:607 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
19330 |
119.3 |
4.8 |
0.488 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[IPA]A:614 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
20012 |
118.3 |
4.4 |
0.483 |
2 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
19330 |
114.6 |
1.7 |
0.214 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[IPA]B:608 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
26 |
5 |
19330 |
114.1 |
3.9 |
0.409 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:607 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
20012 |
114.0 |
3.0 |
0.447 |
2 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[IPA]A:618 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
20012 |
113.3 |
3.1 |
0.342 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]A:608 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
20012 |
113.1 |
1.9 |
0.231 |
1 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[IPA]B:609 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
19330 |
103.4 |
3.0 |
0.386 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[IPA]A:610 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
20012 |
102.3 |
3.0 |
0.373 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[IPA]A:621 |
4 |
1 |
196 |
◊ |
B |
-x+2,-y+2,z-1/2 |
2_774 |
16 |
7 |
19330 |
101.6 |
2.4 |
0.188 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[GOL]B:615 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
19330 |
100.3 |
0.9 |
0.702 |
6 |
0 |
0 |
0.000 |
| 30 |
31 |
|
B |
11 |
3 |
19330 |
◊ |
B |
-x+2,y,-z+3/2 |
3_756 |
11 |
3 |
19330 |
99.8 |
-2.2 |
0.147 |
1 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[IPA]A:620 |
4 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
20012 |
98.6 |
3.0 |
0.353 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[IPA]A:617 |
4 |
1 |
197 |
◊ |
B |
-x+2,y,-z+3/2 |
3_756 |
19 |
6 |
19330 |
97.0 |
3.1 |
0.238 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
B |
9 |
4 |
19330 |
◊ |
A |
-x+3,y,-z+3/2 |
3_856 |
9 |
4 |
20012 |
96.9 |
0.5 |
0.693 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[IPA]A:615 |
4 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
20012 |
92.2 |
3.2 |
0.288 |
3 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[IPA]A:606 |
4 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20012 |
91.3 |
2.6 |
0.227 |
1 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[IPA]A:622 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
20012 |
90.1 |
2.5 |
0.214 |
2 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[IPA]A:619 |
3 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20012 |
89.3 |
2.6 |
0.239 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[IPA]A:616 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
20012 |
88.3 |
3.2 |
0.284 |
1 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[EDO]A:605 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
20012 |
87.7 |
2.9 |
0.302 |
2 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[IPA]B:616 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
19330 |
86.7 |
3.2 |
0.298 |
1 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[EDO]A:623 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20012 |
81.0 |
1.9 |
0.742 |
2 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[IPA]A:613 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20012 |
80.0 |
2.1 |
0.224 |
2 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[IPA]B:610 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19330 |
78.6 |
1.9 |
0.216 |
3 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[EDO]A:624 |
4 |
1 |
186 |
◊ |
B |
-x+2,y,-z+3/2 |
3_756 |
12 |
5 |
19330 |
72.2 |
2.2 |
0.277 |
1 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[EDO]A:624 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20012 |
62.7 |
1.4 |
0.728 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[IPA]B:614 |
4 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
19330 |
57.0 |
1.4 |
0.746 |
1 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[IPA]A:610 |
3 |
1 |
197 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
15 |
1 |
963 |
51.3 |
2.0 |
0.309 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[IPA]B:609 |
3 |
1 |
196 |
f |
[FAD]B:602 |
x,y,z |
1_555 |
14 |
1 |
961 |
49.4 |
2.0 |
0.305 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[IPA]A:621 |
3 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20012 |
46.8 |
0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[IPA]A:606 |
3 |
1 |
196 |
◊ |
B |
-x+2,y,-z+3/2 |
3_756 |
4 |
2 |
19330 |
45.5 |
1.4 |
0.250 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[IPA]A:620 |
3 |
1 |
196 |
f |
B |
-x+2,-y+2,z-1/2 |
2_774 |
6 |
3 |
19330 |
44.6 |
1.1 |
0.213 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[IPA]A:617 |
3 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20012 |
44.5 |
1.2 |
0.714 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[EDO]B:605 |
3 |
1 |
184 |
f |
[FAD]B:602 |
x,y,z |
1_555 |
4 |
1 |
961 |
30.1 |
0.8 |
0.805 |
1 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[EDO]A:608 |
2 |
1 |
185 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
5 |
1 |
963 |
29.2 |
0.7 |
0.810 |
1 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[IPA]A:621 |
1 |
1 |
196 |
◊ |
[IPA]A:620 |
x,y,z |
1_555 |
3 |
1 |
196 |
28.2 |
1.9 |
0.707 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[IPA]A:615 |
2 |
1 |
198 |
f |
B |
-x+5/2,-y+5/2,z-1/2 |
6_774 |
3 |
2 |
19330 |
19.2 |
0.5 |
0.652 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
A |
5 |
3 |
20012 |
◊ |
[GOL]B:615 |
-x+5/2,-y+5/2,z-1/2 |
6_774 |
3 |
1 |
221 |
18.1 |
-0.4 |
0.483 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[EDO]A:608 |
2 |
1 |
185 |
f |
[IPA]A:610 |
x,y,z |
1_555 |
2 |
1 |
197 |
16.5 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
[EDO]B:605 |
3 |
1 |
184 |
f |
[IPA]B:609 |
x,y,z |
1_555 |
1 |
1 |
196 |
15.8 |
0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[IPA]A:618 |
1 |
1 |
198 |
f |
[IPA]A:614 |
x,y,z |
1_555 |
1 |
1 |
198 |
15.2 |
1.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
B |
1 |
1 |
19330 |
◊ |
B |
x,-y+2,-z+2 |
4_577 |
1 |
1 |
19330 |
7.7 |
-0.2 |
0.225 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
1 |
1 |
20012 |
◊ |
A |
x,-y+2,-z+1 |
4_576 |
1 |
1 |
20012 |
6.0 |
-0.2 |
0.254 |
0 |
0 |
0 |
0.000 |
| Average: |
6.9 |
-0.2 |
0.240 |
0 |
0 |
0 |
0.000 |
| 62 |
64 |
|
A |
2 |
2 |
20012 |
f |
[IPA]B:614 |
-x+5/2,-y+5/2,z-1/2 |
6_774 |
2 |
1 |
198 |
7.1 |
0.2 |
0.817 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
[EDO]A:624 |
1 |
1 |
186 |
f |
[IPA]A:606 |
x,y,z |
1_555 |
2 |
1 |
196 |
5.2 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
[IPA]B:607 |
1 |
1 |
196 |
f |
[IPA]B:606 |
x,y,z |
1_555 |
1 |
1 |
197 |
0.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
[GOL]B:603 |
1 |
1 |
218 |
f |
[FAD]B:602 |
x,y,z |
1_555 |
1 |
1 |
961 |
0.5 |
-0.0 |
0.519 |
0 |
0 |
0 |
0.000 |
|