## |
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 |
153 |
41 |
9308 |
◊ |
C |
x,y,z |
1_555 |
147 |
41 |
9060 |
1573.0 |
-26.3 |
0.036 |
14 |
8 |
0 |
0.464 |
2 |
|
B |
148 |
41 |
9132 |
◊ |
A |
x,y,z |
1_555 |
157 |
43 |
8814 |
1545.3 |
-24.5 |
0.042 |
13 |
8 |
0 |
0.464 |
Average: |
1559.2 |
-25.4 |
0.039 |
14 |
8 |
0 |
0.464 |
2 |
3 |
|
D |
70 |
19 |
9308 |
◊ |
B |
x,y,z |
1_555 |
65 |
20 |
9132 |
659.8 |
-11.6 |
0.099 |
5 |
0 |
0 |
0.339 |
3 |
4 |
|
C |
66 |
17 |
9060 |
◊ |
D |
x-1,y,z |
1_455 |
55 |
14 |
9308 |
559.2 |
-1.0 |
0.694 |
10 |
8 |
0 |
0.000 |
5 |
|
B |
56 |
13 |
9132 |
◊ |
A |
x-1,y,z |
1_455 |
66 |
17 |
8814 |
554.2 |
-1.5 |
0.601 |
10 |
9 |
0 |
0.000 |
Average: |
556.7 |
-1.3 |
0.647 |
10 |
9 |
0 |
0.000 |
4 |
6 |
|
C |
56 |
16 |
9060 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
8814 |
550.9 |
-10.5 |
0.076 |
1 |
0 |
0 |
0.183 |
5 |
7 |
|
B |
40 |
17 |
9132 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
42 |
13 |
8814 |
388.9 |
2.6 |
0.868 |
5 |
5 |
0 |
0.000 |
6 |
8 |
|
D |
38 |
15 |
9308 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
37 |
17 |
9060 |
332.8 |
0.5 |
0.801 |
3 |
3 |
0 |
0.000 |
7 |
9 |
|
D |
28 |
6 |
9308 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
6 |
8814 |
242.0 |
-1.0 |
0.623 |
1 |
3 |
0 |
0.000 |
10 |
|
C |
26 |
6 |
9060 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
7 |
9132 |
194.1 |
-2.0 |
0.500 |
0 |
1 |
0 |
0.000 |
Average: |
218.0 |
-1.5 |
0.561 |
1 |
2 |
0 |
0.000 |
8 |
11 |
|
[MPD]C:205 |
7 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
9060 |
199.5 |
-12.7 |
0.680 |
3 |
0 |
0 |
0.235 |
9 |
12 |
|
[MPD]B:202 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
9132 |
151.1 |
-9.8 |
0.739 |
3 |
0 |
0 |
0.274 |
10 |
13 |
|
[MPD]A:203 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
8814 |
147.2 |
-9.6 |
0.643 |
0 |
0 |
0 |
0.161 |
11 |
14 |
|
[MPD]B:204 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
9132 |
143.3 |
-9.6 |
0.652 |
4 |
0 |
0 |
0.281 |
12 |
15 |
|
[MPD]C:206 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
19 |
5 |
9060 |
139.8 |
-8.6 |
0.874 |
3 |
0 |
0 |
0.167 |
13 |
16 |
|
[MPD]C:201 |
6 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
9060 |
137.2 |
-9.0 |
0.666 |
4 |
0 |
0 |
0.180 |
14 |
17 |
|
B |
14 |
4 |
9132 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
5 |
9308 |
134.8 |
1.5 |
0.841 |
1 |
3 |
0 |
0.000 |
15 |
18 |
|
A |
12 |
2 |
8814 |
x |
A |
x-1,y,z |
1_455 |
16 |
4 |
8814 |
134.1 |
1.3 |
0.818 |
4 |
1 |
0 |
0.000 |
19 |
|
C |
19 |
4 |
9060 |
x |
C |
x-1,y,z |
1_455 |
12 |
2 |
9060 |
131.4 |
0.1 |
0.715 |
3 |
0 |
0 |
0.000 |
Average: |
132.8 |
0.7 |
0.766 |
4 |
1 |
0 |
0.000 |
16 |
20 |
|
D |
13 |
3 |
9308 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
3 |
9132 |
120.8 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
C |
9 |
2 |
9060 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
3 |
8814 |
94.7 |
-0.3 |
0.628 |
0 |
1 |
0 |
0.000 |
18 |
22 |
|
D |
10 |
4 |
9308 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
3 |
8814 |
71.4 |
-1.1 |
0.416 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[MPD]C:201 |
4 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
9308 |
65.1 |
-3.8 |
0.720 |
1 |
0 |
0 |
0.058 |
20 |
24 |
|
[MPD]B:202 |
5 |
1 |
280 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
9308 |
49.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.062 |
21 |
25 |
|
[MPD]B:204 |
4 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8814 |
46.3 |
-2.3 |
0.000 |
1 |
0 |
0 |
0.039 |
22 |
26 |
|
[MPD]A:203 |
3 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9060 |
36.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
23 |
27 |
|
D |
6 |
3 |
9308 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
9308 |
32.3 |
1.2 |
0.870 |
1 |
1 |
0 |
0.000 |
28 |
|
B |
3 |
1 |
9132 |
x |
B |
x-1,y,z |
1_455 |
4 |
2 |
9132 |
29.9 |
0.2 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
0.7 |
0.752 |
1 |
1 |
0 |
0.000 |
24 |
29 |
|
[MPD]C:201 |
2 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8814 |
32.1 |
-2.1 |
0.371 |
0 |
0 |
0 |
0.036 |
25 |
30 |
|
B |
5 |
2 |
9132 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
8814 |
29.2 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[MPD]B:204 |
2 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
9308 |
26.6 |
-1.8 |
0.495 |
0 |
0 |
0 |
0.043 |
27 |
32 |
|
[MPD]B:204 |
2 |
1 |
278 |
◊ |
[MPD]A:203 |
x,y,z |
1_555 |
3 |
1 |
277 |
26.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
28 |
33 |
|
C |
2 |
2 |
9060 |
◊ |
A |
x-1,y,z-1 |
1_454 |
3 |
2 |
8814 |
13.1 |
0.5 |
0.818 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
B |
1 |
1 |
9132 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
9132 |
12.7 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
B |
4 |
2 |
9132 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
9060 |
10.1 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
D |
1 |
1 |
9308 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
8814 |
7.7 |
0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[MPD]A:203 |
1 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9132 |
2.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
33 |
38 |
|
C |
1 |
1 |
9060 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9132 |
0.8 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
|