| ## |
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 |
|
L |
187 |
53 |
11815 |
◊ |
H |
x,y,z |
1_555 |
169 |
49 |
11302 |
1534.4 |
-21.4 |
0.101 |
17 |
1 |
0 |
1.000 |
2 |
|
l |
170 |
48 |
11605 |
◊ |
h |
x,y,z |
1_555 |
164 |
49 |
11619 |
1493.8 |
-22.8 |
0.048 |
17 |
1 |
0 |
1.000 |
| Average: |
1514.1 |
-22.1 |
0.074 |
17 |
1 |
0 |
1.000 |
| 2 |
3 |
|
B |
49 |
6 |
1118 |
◊ |
H |
x,y,z |
1_555 |
62 |
18 |
11302 |
468.8 |
-6.7 |
0.392 |
4 |
0 |
0 |
1.000 |
| 3 |
4 |
|
b |
49 |
6 |
1178 |
◊ |
h |
x,y,z |
1_555 |
59 |
20 |
11619 |
454.2 |
-7.5 |
0.322 |
5 |
0 |
0 |
1.000 |
| 4 |
5 |
|
H |
43 |
14 |
11302 |
◊ |
h |
x-1,y,z |
1_455 |
50 |
15 |
11619 |
408.4 |
-1.5 |
0.646 |
7 |
0 |
0 |
0.000 |
| 5 |
6 |
|
l |
49 |
17 |
11605 |
◊ |
L |
-x+2,y-1/2,-z+2 |
2_747 |
45 |
15 |
11815 |
407.9 |
-2.3 |
0.542 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
l |
33 |
12 |
11605 |
◊ |
L |
x,y,z |
1_555 |
42 |
17 |
11815 |
382.4 |
0.2 |
0.668 |
7 |
2 |
0 |
0.000 |
| 7 |
8 |
|
l |
46 |
17 |
11605 |
◊ |
H |
x,y,z |
1_555 |
40 |
13 |
11302 |
371.9 |
-0.6 |
0.667 |
5 |
0 |
0 |
0.000 |
| 8 |
9 |
|
H |
32 |
11 |
11302 |
◊ |
h |
-x+2,y-1/2,-z+2 |
2_747 |
33 |
12 |
11619 |
321.9 |
2.0 |
0.874 |
5 |
1 |
0 |
0.004 |
| 9 |
10 |
|
b |
25 |
5 |
1178 |
◊ |
l |
x,y,z |
1_555 |
40 |
8 |
11605 |
256.4 |
-2.4 |
0.620 |
5 |
5 |
0 |
0.134 |
11 |
|
B |
22 |
5 |
1118 |
◊ |
L |
x,y,z |
1_555 |
34 |
8 |
11815 |
240.1 |
-2.3 |
0.620 |
5 |
4 |
0 |
0.134 |
| Average: |
248.2 |
-2.4 |
0.620 |
5 |
5 |
0 |
0.134 |
| 10 |
12 |
|
l |
19 |
8 |
11605 |
◊ |
L |
x,y,z-1 |
1_554 |
28 |
6 |
11815 |
210.9 |
-2.4 |
0.384 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
L |
19 |
6 |
11815 |
◊ |
h |
x,y,z |
1_555 |
24 |
9 |
11619 |
199.9 |
0.5 |
0.629 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
h |
24 |
8 |
11619 |
◊ |
H |
x,y,z |
1_555 |
21 |
6 |
11302 |
168.5 |
1.2 |
0.823 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
H |
14 |
10 |
11302 |
◊ |
L |
x,y,z-1 |
1_554 |
20 |
7 |
11815 |
137.7 |
0.8 |
0.743 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
L |
20 |
7 |
11815 |
◊ |
h |
x-1,y,z |
1_455 |
18 |
10 |
11619 |
135.3 |
-0.0 |
0.697 |
1 |
0 |
0 |
0.000 |
| 15 |
17 |
|
H |
16 |
6 |
11302 |
◊ |
L |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
6 |
11815 |
134.0 |
-1.6 |
0.405 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
h |
13 |
7 |
11619 |
x |
h |
x,y,z-1 |
1_554 |
14 |
5 |
11619 |
127.7 |
-0.4 |
0.612 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
h |
10 |
2 |
11619 |
◊ |
L |
x,y,z-1 |
1_554 |
11 |
5 |
11815 |
90.0 |
0.9 |
0.809 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
L |
12 |
5 |
11815 |
x |
L |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
3 |
11815 |
89.4 |
1.4 |
0.848 |
2 |
0 |
0 |
0.000 |
| 19 |
21 |
|
H |
10 |
5 |
11302 |
◊ |
l |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
3 |
11605 |
88.4 |
-0.6 |
0.501 |
1 |
0 |
0 |
0.025 |
22 |
|
L |
10 |
3 |
11815 |
◊ |
h |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
4 |
11619 |
84.7 |
-0.7 |
0.457 |
1 |
0 |
0 |
0.025 |
| Average: |
86.5 |
-0.6 |
0.479 |
1 |
0 |
0 |
0.025 |
| 20 |
23 |
|
[EDO]H:302 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
11 |
6 |
11302 |
86.4 |
2.7 |
0.306 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]H:301 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
11302 |
79.1 |
1.7 |
0.266 |
3 |
0 |
0 |
0.000 |
| 22 |
25 |
|
H |
9 |
6 |
11302 |
◊ |
l |
x-1,y,z |
1_455 |
11 |
4 |
11605 |
78.7 |
-1.2 |
0.400 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]H:301 |
3 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
11815 |
70.1 |
2.0 |
0.523 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
l |
8 |
5 |
11605 |
x |
l |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
11605 |
64.7 |
0.4 |
0.647 |
2 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]H:302 |
4 |
1 |
186 |
◊ |
h |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
6 |
11619 |
59.6 |
1.8 |
0.806 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
l |
5 |
3 |
11605 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
9 |
2 |
1118 |
50.3 |
-0.9 |
0.453 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
h |
8 |
2 |
11619 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
3 |
11302 |
46.7 |
-0.4 |
0.563 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
l |
8 |
4 |
11605 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
1 |
11302 |
45.8 |
1.4 |
0.889 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
h |
3 |
1 |
11619 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
1118 |
39.0 |
0.5 |
0.762 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
B |
2 |
1 |
1118 |
◊ |
h |
x-1,y,z-1 |
1_454 |
5 |
1 |
11619 |
34.6 |
-1.0 |
0.315 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
b |
4 |
1 |
1178 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
11302 |
25.5 |
0.8 |
0.885 |
1 |
1 |
0 |
0.000 |
| 32 |
35 |
|
l |
6 |
4 |
11605 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
4 |
11815 |
19.9 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
b |
4 |
2 |
1178 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
11815 |
19.5 |
0.3 |
0.784 |
1 |
0 |
0 |
0.000 |
| 34 |
37 |
|
H |
3 |
3 |
11302 |
◊ |
h |
x-1,y,z-1 |
1_454 |
1 |
1 |
11619 |
9.7 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
l |
1 |
1 |
11605 |
◊ |
h |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
11619 |
8.5 |
-0.3 |
0.263 |
0 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[EDO]H:302 |
1 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
11815 |
6.6 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.100 |
|