## |
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 |
|
E |
181 |
46 |
12830 |
◊ |
D |
x,y,z |
1_555 |
177 |
48 |
13499 |
1705.1 |
-7.7 |
0.516 |
25 |
12 |
0 |
0.246 |
2 |
|
C |
183 |
46 |
12864 |
◊ |
A |
x,y,z |
1_555 |
175 |
47 |
13422 |
1685.7 |
-9.7 |
0.510 |
22 |
13 |
0 |
0.246 |
3 |
|
D |
177 |
46 |
13499 |
◊ |
C |
x,y,z |
1_555 |
179 |
46 |
12864 |
1677.7 |
-7.4 |
0.588 |
23 |
13 |
0 |
0.246 |
4 |
|
E |
162 |
45 |
12830 |
◊ |
B |
x,y,z |
1_555 |
172 |
45 |
12871 |
1589.7 |
-6.5 |
0.582 |
21 |
10 |
0 |
0.246 |
5 |
|
B |
162 |
45 |
12871 |
◊ |
A |
x,y,z |
1_555 |
164 |
42 |
13422 |
1544.9 |
-6.8 |
0.577 |
21 |
12 |
0 |
0.246 |
Average: |
1640.6 |
-7.6 |
0.555 |
22 |
12 |
0 |
0.246 |
2 |
6 |
|
B |
86 |
24 |
12871 |
◊ |
D |
x-1,y,z |
1_455 |
81 |
24 |
13499 |
828.0 |
-8.0 |
0.235 |
1 |
2 |
0 |
0.000 |
7 |
|
D |
87 |
23 |
13499 |
◊ |
A |
x,y,z-1 |
1_554 |
82 |
24 |
13422 |
780.8 |
-7.7 |
0.279 |
1 |
1 |
0 |
0.000 |
Average: |
804.4 |
-7.8 |
0.257 |
1 |
2 |
0 |
0.000 |
3 |
8 |
|
[FEC]E:301 |
49 |
1 |
901 |
f |
E |
x,y,z |
1_555 |
81 |
26 |
12830 |
542.9 |
-14.6 |
0.633 |
3 |
0 |
0 |
0.221 |
9 |
|
[FEC]D:301 |
49 |
1 |
899 |
f |
D |
x,y,z |
1_555 |
92 |
32 |
13499 |
535.8 |
-18.1 |
0.402 |
1 |
0 |
0 |
0.221 |
10 |
|
[FEC]A:302 |
49 |
1 |
916 |
f |
A |
x,y,z |
1_555 |
88 |
32 |
13422 |
529.2 |
-17.1 |
0.406 |
1 |
0 |
0 |
0.221 |
11 |
|
[FEC]B:302 |
49 |
1 |
900 |
f |
B |
x,y,z |
1_555 |
78 |
28 |
12871 |
510.9 |
-16.2 |
0.401 |
1 |
0 |
0 |
0.221 |
12 |
|
[FEC]C:301 |
47 |
1 |
898 |
f |
C |
x,y,z |
1_555 |
92 |
31 |
12864 |
503.7 |
-18.6 |
0.333 |
0 |
0 |
0 |
0.221 |
Average: |
524.5 |
-16.9 |
0.435 |
1 |
0 |
0 |
0.221 |
4 |
13 |
|
[VOV]E:302 |
46 |
1 |
848 |
f |
E |
x,y,z |
1_555 |
83 |
28 |
12830 |
452.0 |
-6.1 |
0.465 |
2 |
0 |
0 |
0.103 |
14 |
|
[VOV]B:303 |
46 |
1 |
849 |
f |
B |
x,y,z |
1_555 |
78 |
27 |
12871 |
437.0 |
-7.2 |
0.380 |
3 |
0 |
0 |
0.103 |
15 |
|
[VOV]A:303 |
46 |
1 |
846 |
f |
A |
x,y,z |
1_555 |
86 |
30 |
13422 |
433.2 |
-6.9 |
0.419 |
3 |
0 |
0 |
0.103 |
16 |
|
[VOV]D:302 |
46 |
1 |
840 |
f |
D |
x,y,z |
1_555 |
88 |
30 |
13499 |
420.3 |
-7.2 |
0.410 |
2 |
0 |
0 |
0.103 |
17 |
|
[VOV]C:302 |
46 |
1 |
853 |
f |
C |
x,y,z |
1_555 |
80 |
29 |
12864 |
419.3 |
-8.8 |
0.258 |
0 |
0 |
0 |
0.103 |
Average: |
432.3 |
-7.3 |
0.387 |
2 |
0 |
0 |
0.103 |
5 |
18 |
|
[VOV]B:303 |
46 |
1 |
849 |
f |
[FEC]B:302 |
x,y,z |
1_555 |
47 |
1 |
900 |
307.8 |
-11.0 |
0.897 |
0 |
0 |
0 |
0.130 |
19 |
|
[VOV]C:302 |
45 |
1 |
853 |
f |
[FEC]C:301 |
x,y,z |
1_555 |
43 |
1 |
898 |
294.1 |
-10.2 |
0.838 |
0 |
0 |
0 |
0.130 |
20 |
|
[VOV]E:302 |
44 |
1 |
848 |
f |
[FEC]E:301 |
x,y,z |
1_555 |
44 |
1 |
901 |
287.4 |
-9.8 |
0.874 |
0 |
0 |
0 |
0.130 |
21 |
|
[VOV]A:303 |
45 |
1 |
846 |
f |
[FEC]A:302 |
x,y,z |
1_555 |
46 |
1 |
916 |
278.6 |
-9.2 |
0.816 |
0 |
0 |
0 |
0.130 |
22 |
|
[VOV]D:302 |
46 |
1 |
840 |
f |
[FEC]D:301 |
x,y,z |
1_555 |
41 |
1 |
899 |
274.8 |
-11.1 |
0.819 |
0 |
0 |
0 |
0.130 |
Average: |
288.6 |
-10.2 |
0.849 |
0 |
0 |
0 |
0.130 |
6 |
23 |
|
C |
29 |
9 |
12864 |
◊ |
E |
-x+1,y-1/2,-z+3 |
2_648 |
34 |
9 |
12830 |
284.0 |
-0.9 |
0.568 |
1 |
0 |
0 |
0.000 |
7 |
24 |
|
C |
24 |
7 |
12864 |
◊ |
E |
-x,y-1/2,-z+2 |
2_547 |
16 |
3 |
12830 |
197.2 |
-3.3 |
0.182 |
0 |
0 |
0 |
0.000 |
8 |
25 |
|
A |
17 |
6 |
13422 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
15 |
3 |
12871 |
174.2 |
-0.6 |
0.428 |
0 |
2 |
0 |
0.000 |
9 |
26 |
|
[MPD]D:303 |
7 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
13499 |
137.0 |
-8.0 |
0.742 |
0 |
0 |
0 |
0.020 |
10 |
27 |
|
[MPD]A:304 |
7 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12864 |
128.7 |
-7.7 |
0.732 |
1 |
0 |
0 |
0.021 |
11 |
28 |
|
[MPD]E:303 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
12871 |
127.1 |
-7.8 |
0.638 |
0 |
0 |
0 |
0.020 |
12 |
29 |
|
[MPD]B:304 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13422 |
120.1 |
-7.8 |
0.571 |
0 |
0 |
0 |
0.020 |
13 |
30 |
|
[MPD]B:304 |
5 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
12871 |
116.0 |
-7.1 |
0.713 |
0 |
0 |
0 |
0.018 |
14 |
31 |
|
[MPD]E:303 |
5 |
1 |
277 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
12830 |
110.6 |
-6.8 |
0.663 |
0 |
0 |
0 |
0.017 |
15 |
32 |
|
[MPD]A:304 |
5 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
19 |
4 |
13422 |
108.1 |
-6.5 |
0.733 |
0 |
0 |
0 |
0.016 |
16 |
33 |
|
[MPD]D:303 |
7 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
20 |
4 |
12864 |
101.2 |
-6.0 |
0.777 |
1 |
0 |
0 |
0.016 |
17 |
34 |
|
[NA]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12871 |
58.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.111 |
35 |
|
[NA]A:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12864 |
57.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.111 |
36 |
|
[NA]C:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
13499 |
57.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.111 |
37 |
|
[NA]D:304 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
12830 |
56.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.111 |
38 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13422 |
56.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
57.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.111 |
18 |
39 |
|
A |
3 |
2 |
13422 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
13499 |
43.2 |
0.7 |
0.639 |
0 |
0 |
0 |
0.000 |
40 |
|
E |
4 |
2 |
12830 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
13422 |
26.9 |
0.5 |
0.667 |
0 |
0 |
0 |
0.000 |
Average: |
35.0 |
0.6 |
0.653 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
D |
3 |
1 |
13499 |
◊ |
[FEC]A:302 |
x,y,z-1 |
1_554 |
3 |
1 |
916 |
37.2 |
-1.7 |
0.379 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
3 |
1 |
12871 |
◊ |
[FEC]D:301 |
x-1,y,z |
1_455 |
4 |
1 |
899 |
29.0 |
-0.8 |
0.513 |
0 |
0 |
0 |
0.000 |
Average: |
33.1 |
-1.3 |
0.446 |
0 |
0 |
0 |
0.000 |
20 |
43 |
|
[NA]B:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
12830 |
30.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.040 |
44 |
|
[NA]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13422 |
30.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.040 |
45 |
|
[NA]C:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12864 |
30.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
46 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12871 |
30.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
47 |
|
[NA]D:304 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
13499 |
30.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
30.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
21 |
48 |
|
C |
6 |
2 |
12864 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
3 |
3 |
12871 |
20.6 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
22 |
49 |
|
[FEC]C:301 |
2 |
1 |
898 |
◊ |
E |
-x+1,y-1/2,-z+3 |
2_648 |
3 |
1 |
12830 |
17.8 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
23 |
50 |
|
C |
2 |
1 |
12864 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
5 |
3 |
12871 |
17.8 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
24 |
51 |
|
B |
3 |
1 |
12871 |
◊ |
[VOV]D:302 |
x-1,y,z |
1_455 |
1 |
1 |
840 |
16.1 |
-0.3 |
0.382 |
0 |
0 |
0 |
0.000 |
52 |
|
D |
2 |
1 |
13499 |
◊ |
[VOV]A:303 |
x,y,z-1 |
1_554 |
1 |
1 |
846 |
11.2 |
0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
Average: |
13.6 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
A |
2 |
1 |
13422 |
◊ |
[FEC]B:302 |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
900 |
4.7 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
[FEC]C:301 |
1 |
1 |
898 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13499 |
0.6 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
55 |
|
[FEC]E:301 |
1 |
1 |
901 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12871 |
0.4 |
-0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
0.5 |
-0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|