## |
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 |
|
C |
190 |
46 |
16236 |
◊ |
C |
x,-y,-z |
4_555 |
190 |
46 |
16236 |
1789.4 |
-14.8 |
0.127 |
22 |
16 |
0 |
0.707 |
2 |
|
B |
183 |
46 |
16006 |
◊ |
A |
x,y,z |
1_555 |
184 |
46 |
16024 |
1784.4 |
-16.1 |
0.107 |
24 |
14 |
0 |
0.707 |
Average: |
1786.9 |
-15.4 |
0.117 |
23 |
15 |
0 |
0.707 |
2 |
3 |
|
C |
60 |
19 |
16236 |
◊ |
B |
x,-y,-z |
4_555 |
59 |
17 |
16006 |
521.0 |
2.5 |
0.800 |
10 |
8 |
0 |
0.000 |
3 |
4 |
|
B |
56 |
17 |
16006 |
x |
B |
x-1/2,-y+1/2,-z |
8_455 |
48 |
12 |
16006 |
455.3 |
-0.5 |
0.483 |
5 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
48 |
14 |
16006 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
42 |
13 |
16024 |
391.8 |
-1.2 |
0.514 |
6 |
6 |
0 |
0.000 |
5 |
6 |
|
C |
37 |
10 |
16236 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
45 |
16 |
16024 |
386.4 |
-3.9 |
0.103 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
30 |
9 |
16236 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
31 |
9 |
16024 |
278.0 |
-0.9 |
0.513 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
29 |
9 |
16236 |
◊ |
A |
x,y,z |
1_555 |
23 |
5 |
16024 |
221.7 |
0.0 |
0.621 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
24 |
10 |
16236 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
16006 |
216.2 |
2.8 |
0.867 |
2 |
1 |
0 |
0.000 |
9 |
10 |
|
A |
18 |
7 |
16024 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
16 |
4 |
16236 |
143.3 |
-1.5 |
0.357 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
18 |
6 |
16024 |
◊ |
C |
x-1/2,y+1/2,z |
5_455 |
19 |
6 |
16236 |
136.0 |
1.0 |
0.683 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]C:406 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
16236 |
113.0 |
3.8 |
0.632 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:401 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
16024 |
113.0 |
4.0 |
0.670 |
5 |
0 |
0 |
0.000 |
14 |
|
[EDO]C:403 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
16236 |
112.7 |
4.0 |
0.667 |
3 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
16006 |
112.6 |
4.1 |
0.677 |
3 |
0 |
0 |
0.000 |
Average: |
112.8 |
4.0 |
0.671 |
4 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]B:407 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
16006 |
102.4 |
2.6 |
0.354 |
6 |
0 |
0 |
0.002 |
14 |
17 |
|
[EDO]C:405 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16236 |
96.7 |
2.5 |
0.332 |
6 |
0 |
0 |
0.010 |
15 |
18 |
|
[EDO]B:404 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
16006 |
86.9 |
1.9 |
0.421 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
C |
8 |
3 |
16236 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
8 |
3 |
16236 |
75.4 |
1.5 |
0.858 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:404 |
4 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z |
8_455 |
11 |
4 |
16006 |
67.2 |
1.2 |
0.225 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[NI]A:501 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16024 |
61.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.401 |
22 |
|
[NI]B:502 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16006 |
45.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.401 |
23 |
|
[NI]C:503 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16236 |
44.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.401 |
Average: |
50.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.401 |
19 |
24 |
|
B |
6 |
2 |
16006 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
6 |
3 |
16024 |
48.0 |
1.5 |
0.886 |
1 |
1 |
0 |
0.000 |
20 |
25 |
|
B |
5 |
3 |
16006 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
2 |
16236 |
42.8 |
0.9 |
0.745 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[NI]C:503 |
1 |
1 |
115 |
cf |
[EDO]C:405 |
x,y,z |
1_555 |
4 |
1 |
182 |
35.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.181 |
27 |
|
[NI]B:502 |
1 |
1 |
115 |
f |
[EDO]B:407 |
x,y,z |
1_555 |
4 |
1 |
186 |
34.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
35.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.181 |
22 |
28 |
|
C |
4 |
1 |
16236 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
5 |
2 |
16024 |
35.1 |
-0.6 |
0.371 |
0 |
0 |
0 |
0.000 |
|