## |
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 |
|
[A3R]A:401 |
34 |
1 |
689 |
f |
A |
x,y,z |
1_555 |
67 |
28 |
7915 |
500.0 |
-7.4 |
0.518 |
7 |
0 |
0 |
0.067 |
2 |
|
[A3R]C:401 |
34 |
1 |
688 |
f |
C |
x,y,z |
1_555 |
68 |
25 |
7941 |
497.6 |
-7.3 |
0.522 |
8 |
0 |
0 |
0.067 |
3 |
|
[A3R]D:401 |
34 |
1 |
682 |
f |
D |
x,y,z |
1_555 |
67 |
26 |
7830 |
487.7 |
-7.1 |
0.529 |
8 |
0 |
0 |
0.067 |
4 |
|
[A3R]B:401 |
34 |
1 |
679 |
f |
B |
x,y,z |
1_555 |
68 |
25 |
7880 |
486.9 |
-6.8 |
0.512 |
10 |
0 |
0 |
0.067 |
Average: |
493.1 |
-7.2 |
0.521 |
8 |
0 |
0 |
0.067 |
2 |
5 |
|
B |
42 |
14 |
7880 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
45 |
11 |
7880 |
393.0 |
-5.7 |
0.253 |
1 |
0 |
0 |
0.000 |
6 |
|
C |
48 |
12 |
7941 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
41 |
13 |
7941 |
380.4 |
-5.3 |
0.273 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
49 |
12 |
7915 |
x |
A |
-x,y-1/2,-z |
2_545 |
39 |
12 |
7915 |
379.4 |
-6.6 |
0.183 |
1 |
0 |
0 |
0.000 |
8 |
|
D |
41 |
12 |
7830 |
x |
D |
-x+1,y-1/2,-z-1 |
2_644 |
45 |
11 |
7830 |
376.1 |
-6.1 |
0.238 |
1 |
0 |
0 |
0.000 |
Average: |
382.2 |
-5.9 |
0.237 |
1 |
0 |
0 |
0.000 |
3 |
9 |
|
D |
28 |
7 |
7830 |
◊ |
C |
x,y,z |
1_555 |
35 |
10 |
7941 |
254.2 |
-0.6 |
0.743 |
3 |
0 |
0 |
0.000 |
10 |
|
C |
28 |
7 |
7941 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
9 |
7830 |
252.2 |
-1.2 |
0.653 |
3 |
0 |
0 |
0.000 |
11 |
|
B |
22 |
6 |
7880 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
7915 |
239.6 |
-1.4 |
0.605 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
24 |
6 |
7915 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
9 |
7880 |
239.3 |
-1.5 |
0.580 |
2 |
0 |
0 |
0.000 |
Average: |
246.3 |
-1.2 |
0.645 |
3 |
0 |
0 |
0.000 |
4 |
13 |
|
B |
25 |
8 |
7880 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
21 |
6 |
7830 |
193.6 |
-1.0 |
0.602 |
1 |
0 |
0 |
0.000 |
5 |
14 |
|
A |
15 |
4 |
7915 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
19 |
8 |
7941 |
127.2 |
-0.5 |
0.638 |
0 |
0 |
0 |
0.000 |
6 |
15 |
|
[EDO]A:403 |
4 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7915 |
114.1 |
3.4 |
0.544 |
2 |
0 |
0 |
0.000 |
7 |
16 |
|
[EDO]C:403 |
4 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
7941 |
95.3 |
2.6 |
0.511 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
[MLT]D:402 |
7 |
1 |
257 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
7830 |
92.0 |
-0.8 |
0.432 |
2 |
0 |
0 |
0.008 |
9 |
18 |
|
[EDO]A:402 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7915 |
87.3 |
2.4 |
0.286 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
[EDO]B:402 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7880 |
85.9 |
2.0 |
0.870 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[EDO]C:402 |
4 |
1 |
192 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
7941 |
80.7 |
2.6 |
0.310 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
[EDO]A:404 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7915 |
80.0 |
2.1 |
0.415 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[EDO]D:403 |
4 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
7830 |
78.8 |
2.1 |
0.852 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[NA]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7941 |
75.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.075 |
24 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7880 |
73.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.075 |
25 |
|
[NA]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
7830 |
71.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.075 |
26 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7915 |
70.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
72.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.075 |
15 |
27 |
|
[EDO]C:402 |
4 |
1 |
192 |
f |
C |
-x,y-1/2,-z-1 |
2_544 |
13 |
5 |
7941 |
73.2 |
1.3 |
0.784 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
[EDO]B:402 |
2 |
1 |
189 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
7880 |
38.1 |
1.3 |
0.581 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
A |
1 |
1 |
7915 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7880 |
18.8 |
0.5 |
0.902 |
1 |
0 |
0 |
0.000 |
30 |
|
C |
1 |
1 |
7941 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
7830 |
15.2 |
0.4 |
0.881 |
0 |
0 |
0 |
0.000 |
Average: |
17.0 |
0.5 |
0.891 |
1 |
0 |
0 |
0.000 |
18 |
31 |
|
[A3R]D:401 |
1 |
1 |
682 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7941 |
7.7 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.000 |
32 |
|
[A3R]C:401 |
1 |
1 |
688 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
7830 |
7.5 |
-0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
33 |
|
[A3R]B:401 |
1 |
1 |
679 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7915 |
5.5 |
-0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
34 |
|
[A3R]A:401 |
1 |
1 |
689 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
7880 |
5.2 |
-0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
Average: |
6.5 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
D |
2 |
2 |
7830 |
◊ |
[MLT]D:402 |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
257 |
6.8 |
-0.0 |
0.329 |
0 |
0 |
0 |
0.000 |
|