## |
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 |
392 |
109 |
19506 |
◊ |
D |
-x+y,y,-z+1/3 |
5_555 |
391 |
109 |
19506 |
3810.5 |
-44.5 |
0.087 |
63 |
18 |
0 |
0.881 |
2 |
|
B |
407 |
109 |
19814 |
◊ |
B |
x,x-y-1,-z |
6_545 |
404 |
109 |
19814 |
3804.0 |
-45.1 |
0.112 |
59 |
20 |
0 |
0.881 |
3 |
|
A |
393 |
108 |
19325 |
◊ |
A |
x,x-y-1,-z |
6_545 |
392 |
108 |
19325 |
3751.6 |
-43.9 |
0.027 |
63 |
22 |
0 |
0.881 |
4 |
|
C |
398 |
106 |
19425 |
◊ |
C |
-x+y,y,-z+1/3 |
5_555 |
397 |
106 |
19425 |
3725.8 |
-41.8 |
0.062 |
70 |
22 |
0 |
0.881 |
Average: |
3773.0 |
-43.8 |
0.072 |
64 |
21 |
0 |
0.881 |
2 |
5 |
|
B |
106 |
24 |
19814 |
◊ |
A |
x,x-y-1,-z |
6_545 |
92 |
25 |
19325 |
958.7 |
-8.2 |
0.386 |
9 |
21 |
0 |
0.591 |
6 |
|
D |
100 |
23 |
19506 |
◊ |
C |
-x+y,y,-z+1/3 |
5_555 |
89 |
23 |
19425 |
951.6 |
-7.4 |
0.411 |
10 |
21 |
0 |
0.591 |
Average: |
955.2 |
-7.8 |
0.398 |
10 |
21 |
0 |
0.591 |
3 |
7 |
|
E |
72 |
16 |
14513 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
19325 |
612.0 |
-11.8 |
0.703 |
16 |
0 |
0 |
0.568 |
4 |
8 |
|
E |
73 |
12 |
14513 |
◊ |
C |
x,y,z |
1_555 |
53 |
14 |
19425 |
487.0 |
-5.9 |
0.828 |
4 |
0 |
0 |
0.000 |
5 |
9 |
|
E |
51 |
9 |
14513 |
◊ |
B |
x,y,z |
1_555 |
49 |
14 |
19814 |
394.7 |
-2.3 |
0.909 |
6 |
0 |
0 |
0.036 |
6 |
10 |
|
C |
37 |
10 |
19425 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
43 |
12 |
19814 |
373.4 |
-0.6 |
0.696 |
5 |
3 |
0 |
0.000 |
11 |
|
D |
39 |
11 |
19506 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
42 |
12 |
19325 |
365.1 |
0.7 |
0.779 |
5 |
1 |
0 |
0.000 |
Average: |
369.3 |
0.0 |
0.737 |
5 |
2 |
0 |
0.000 |
7 |
12 |
|
[PLR]A:1001 |
15 |
1 |
386 |
cf |
A |
x,y,z |
1_555 |
36 |
19 |
19325 |
219.4 |
0.8 |
0.605 |
8 |
0 |
0 |
0.150 |
13 |
|
[PLR]D:1001 |
15 |
1 |
381 |
cf |
D |
x,y,z |
1_555 |
31 |
18 |
19506 |
218.6 |
1.3 |
0.673 |
5 |
0 |
0 |
0.150 |
14 |
|
[PLR]B:1001 |
15 |
1 |
384 |
cf |
B |
x,y,z |
1_555 |
33 |
18 |
19814 |
217.7 |
1.1 |
0.654 |
7 |
0 |
0 |
0.150 |
15 |
|
[PLR]C:1001 |
15 |
1 |
382 |
cf |
C |
x,y,z |
1_555 |
34 |
19 |
19425 |
214.0 |
1.1 |
0.621 |
7 |
0 |
0 |
0.150 |
Average: |
217.4 |
1.1 |
0.638 |
7 |
0 |
0 |
0.150 |
8 |
16 |
|
B |
12 |
7 |
19814 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
19325 |
133.1 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
12 |
6 |
19506 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
19425 |
116.7 |
1.6 |
0.857 |
0 |
0 |
0 |
0.000 |
Average: |
124.9 |
1.0 |
0.782 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
E |
18 |
4 |
14513 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
19506 |
123.8 |
0.3 |
0.863 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
E |
15 |
2 |
14513 |
◊ |
B |
x,x-y-1,-z |
6_545 |
13 |
5 |
19814 |
120.6 |
0.9 |
0.773 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[TS6]A:3001 |
5 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
19325 |
114.5 |
-6.1 |
0.907 |
3 |
0 |
0 |
0.235 |
12 |
21 |
|
[PLR]A:1001 |
7 |
1 |
386 |
◊ |
A |
x,x-y-1,-z |
6_545 |
19 |
6 |
19325 |
107.8 |
-1.7 |
0.370 |
4 |
0 |
0 |
0.098 |
22 |
|
[PLR]B:1001 |
7 |
1 |
384 |
◊ |
B |
x,x-y-1,-z |
6_545 |
19 |
6 |
19814 |
107.7 |
-1.9 |
0.359 |
4 |
0 |
0 |
0.098 |
23 |
|
[PLR]D:1001 |
7 |
1 |
381 |
◊ |
D |
-x+y,y,-z+1/3 |
5_555 |
16 |
6 |
19506 |
105.1 |
-2.4 |
0.333 |
4 |
0 |
0 |
0.098 |
24 |
|
[PLR]C:1001 |
7 |
1 |
382 |
◊ |
C |
-x+y,y,-z+1/3 |
5_555 |
15 |
6 |
19425 |
104.6 |
-2.1 |
0.341 |
4 |
0 |
0 |
0.098 |
Average: |
106.3 |
-2.0 |
0.351 |
4 |
0 |
0 |
0.098 |
13 |
25 |
|
[TS6]C:3001 |
5 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
19425 |
106.8 |
-5.6 |
0.889 |
4 |
0 |
0 |
0.292 |
14 |
26 |
|
[TS6]A:3002 |
4 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19325 |
67.2 |
-2.3 |
0.946 |
4 |
0 |
0 |
0.129 |
15 |
27 |
|
[TS6]A:3001 |
2 |
1 |
225 |
◊ |
A |
x,x-y-1,-z |
6_545 |
8 |
2 |
19325 |
34.5 |
-1.6 |
0.788 |
0 |
0 |
0 |
0.027 |
16 |
28 |
|
[TS6]C:3001 |
2 |
1 |
225 |
◊ |
C |
-x+y,y,-z+1/3 |
5_555 |
8 |
2 |
19425 |
33.7 |
-1.6 |
0.799 |
0 |
0 |
0 |
0.030 |
17 |
29 |
|
[TS6]A:3002 |
2 |
1 |
224 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14513 |
5.7 |
-0.2 |
0.797 |
0 |
0 |
0 |
0.007 |
|