| ## |
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 |
177 |
18 |
4278 |
◊ |
A |
x,y,z |
1_555 |
223 |
73 |
33605 |
1854.5 |
-40.7 |
0.555 |
23 |
0 |
0 |
0.680 |
2 |
|
H |
177 |
18 |
4311 |
◊ |
F |
x,y,z |
1_555 |
234 |
75 |
33030 |
1810.6 |
-37.0 |
0.651 |
19 |
0 |
0 |
0.680 |
| Average: |
1832.6 |
-38.8 |
0.603 |
21 |
0 |
0 |
0.680 |
| 2 |
3 |
|
G |
203 |
21 |
5101 |
◊ |
A |
x,y,z |
1_555 |
226 |
74 |
33605 |
1826.9 |
-10.8 |
0.660 |
11 |
0 |
0 |
0.450 |
4 |
|
J |
193 |
21 |
5471 |
◊ |
F |
x,y,z |
1_555 |
230 |
75 |
33030 |
1821.4 |
-7.6 |
0.743 |
9 |
0 |
0 |
0.450 |
| Average: |
1824.1 |
-9.2 |
0.702 |
10 |
0 |
0 |
0.450 |
| 3 |
5 |
|
H |
87 |
17 |
4311 |
◊ |
J |
x,y,z |
1_555 |
87 |
17 |
5471 |
821.5 |
-5.8 |
0.720 |
29 |
0 |
0 |
0.591 |
6 |
|
C |
82 |
17 |
4278 |
◊ |
G |
x,y,z |
1_555 |
89 |
17 |
5101 |
813.0 |
-6.3 |
0.744 |
26 |
0 |
0 |
0.591 |
| Average: |
817.3 |
-6.0 |
0.732 |
28 |
0 |
0 |
0.591 |
| 4 |
7 |
|
F |
66 |
20 |
33030 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
71 |
20 |
33605 |
710.8 |
-6.6 |
0.220 |
1 |
2 |
0 |
0.000 |
| 5 |
8 |
|
F |
48 |
11 |
33030 |
x |
F |
x-1,y,z |
1_455 |
43 |
12 |
33030 |
401.5 |
0.0 |
0.698 |
1 |
7 |
0 |
0.000 |
9 |
|
A |
47 |
11 |
33605 |
x |
A |
x-1,y,z |
1_455 |
38 |
10 |
33605 |
323.2 |
-1.0 |
0.551 |
1 |
2 |
0 |
0.000 |
| Average: |
362.3 |
-0.5 |
0.624 |
1 |
5 |
0 |
0.000 |
| 6 |
10 |
|
F |
38 |
13 |
33030 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
33 |
11 |
33605 |
339.3 |
-5.0 |
0.149 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
F |
43 |
14 |
33030 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
9 |
33605 |
314.8 |
2.6 |
0.809 |
2 |
1 |
0 |
0.000 |
| 8 |
12 |
|
F |
43 |
19 |
33030 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
15 |
33605 |
295.9 |
1.1 |
0.748 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
23 |
8 |
33605 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
30 |
11 |
33605 |
218.4 |
1.0 |
0.741 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
F |
14 |
5 |
33030 |
x |
F |
-x,y-1/2,-z |
2_545 |
21 |
8 |
33030 |
177.9 |
1.0 |
0.693 |
1 |
1 |
0 |
0.000 |
| 11 |
15 |
|
[MPD]F:802 |
7 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
21 |
12 |
33030 |
165.9 |
-10.6 |
0.752 |
0 |
0 |
0 |
0.126 |
| 12 |
16 |
|
[MPD]A:801 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
33605 |
156.2 |
-11.6 |
0.559 |
1 |
0 |
0 |
0.345 |
| 13 |
17 |
|
[MPD]J:101 |
6 |
1 |
275 |
f |
F |
-x,y-1/2,-z |
2_545 |
24 |
7 |
33030 |
147.2 |
-9.0 |
0.784 |
1 |
0 |
0 |
0.113 |
| 14 |
18 |
|
[ACT]F:803 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
33030 |
114.1 |
-1.3 |
0.530 |
0 |
0 |
0 |
0.016 |
| 15 |
19 |
|
J |
8 |
1 |
5471 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
13 |
6 |
33030 |
108.4 |
0.2 |
0.611 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[MPD]G:101 |
6 |
1 |
270 |
f |
G |
x,y,z |
1_555 |
13 |
4 |
5101 |
101.0 |
-6.9 |
0.674 |
0 |
0 |
0 |
0.216 |
| 17 |
21 |
|
[MPD]F:801 |
5 |
1 |
274 |
f |
H |
x,y,z |
1_555 |
17 |
2 |
4311 |
91.2 |
-5.2 |
0.908 |
0 |
0 |
0 |
0.164 |
| 18 |
22 |
|
F |
14 |
6 |
33030 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
33605 |
83.4 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[MPD]J:101 |
5 |
1 |
275 |
◊ |
J |
x,y,z |
1_555 |
13 |
1 |
5471 |
68.9 |
-2.2 |
0.893 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[MPD]F:801 |
5 |
1 |
274 |
◊ |
J |
x,y,z |
1_555 |
11 |
2 |
5471 |
55.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.055 |
| 21 |
25 |
|
[ACT]F:803 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
4311 |
43.1 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[MPD]G:101 |
4 |
1 |
270 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
4278 |
40.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.042 |
| 23 |
27 |
|
[MG]H:101 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
33030 |
39.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.064 |
28 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
33605 |
38.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
38.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.064 |
| 24 |
29 |
|
[MG]H:101 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
4311 |
36.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.190 |
30 |
|
[MG]C:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
4278 |
36.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
36.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.190 |
| 25 |
31 |
|
[MPD]F:801 |
3 |
1 |
274 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
33030 |
35.1 |
-1.5 |
0.922 |
0 |
0 |
0 |
0.018 |
| 26 |
32 |
|
[MPD]G:101 |
2 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
33605 |
14.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 27 |
33 |
|
[MPD]A:801 |
1 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4278 |
12.2 |
-1.2 |
0.627 |
0 |
0 |
0 |
0.016 |
| 28 |
34 |
|
[MPD]F:802 |
1 |
1 |
276 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
33605 |
4.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
A |
2 |
2 |
33605 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
3 |
33605 |
1.3 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
|