| ## |
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 |
118 |
27 |
3831 |
◊ |
B |
x,y,z |
1_555 |
146 |
34 |
11179 |
1210.3 |
-14.3 |
0.162 |
13 |
5 |
0 |
0.953 |
2 |
|
C |
118 |
26 |
3611 |
◊ |
A |
x,y,z |
1_555 |
151 |
36 |
11221 |
1193.3 |
-13.8 |
0.243 |
14 |
5 |
0 |
0.953 |
| Average: |
1201.8 |
-14.1 |
0.203 |
14 |
5 |
0 |
0.953 |
| 2 |
3 |
|
B |
97 |
27 |
11179 |
◊ |
A |
x,y,z |
1_555 |
94 |
23 |
11221 |
860.3 |
-0.4 |
0.564 |
15 |
3 |
0 |
0.000 |
| 3 |
4 |
|
B |
59 |
15 |
11179 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
64 |
22 |
11221 |
590.9 |
-1.6 |
0.505 |
9 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
57 |
19 |
11221 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
43 |
15 |
11221 |
462.1 |
-2.0 |
0.435 |
6 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[MYR]B:501 |
16 |
1 |
490 |
◊ |
B |
x,y,z |
1_555 |
42 |
23 |
11179 |
360.2 |
2.9 |
0.137 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
37 |
14 |
11179 |
◊ |
C |
x,y-1,z |
1_545 |
31 |
8 |
3611 |
295.3 |
-0.8 |
0.608 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
C |
32 |
9 |
3611 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
7 |
11221 |
254.5 |
-0.3 |
0.704 |
4 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
25 |
8 |
11221 |
x |
A |
x-1,y,z |
1_455 |
25 |
10 |
11221 |
203.6 |
2.8 |
0.872 |
4 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
26 |
8 |
11221 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
4 |
3611 |
200.0 |
2.0 |
0.845 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
23 |
7 |
11179 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
7 |
11221 |
183.8 |
0.2 |
0.551 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
D |
18 |
4 |
3831 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
7 |
11179 |
183.0 |
0.5 |
0.734 |
5 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
13 |
3 |
11179 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
11221 |
133.7 |
-0.6 |
0.446 |
1 |
1 |
0 |
0.000 |
| 13 |
14 |
|
B |
16 |
4 |
11179 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
14 |
4 |
11179 |
119.1 |
-1.9 |
0.259 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
C |
10 |
4 |
3611 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
11179 |
117.8 |
0.4 |
0.708 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
D |
13 |
4 |
3831 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
7 |
11179 |
110.3 |
-0.2 |
0.472 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
D |
11 |
4 |
3831 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
3831 |
92.9 |
0.2 |
0.690 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
D |
8 |
2 |
3831 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11221 |
70.6 |
-0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[ACE]C:297 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11221 |
64.4 |
-1.3 |
0.519 |
0 |
0 |
0 |
0.060 |
| 19 |
20 |
|
[ACE]D:297 |
3 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11179 |
61.7 |
-0.7 |
0.619 |
1 |
0 |
0 |
0.051 |
| 20 |
21 |
|
[ACE]D:297 |
3 |
1 |
170 |
cf |
D |
x,y,z |
1_555 |
7 |
3 |
3831 |
57.6 |
-0.3 |
0.749 |
0 |
0 |
0 |
0.015 |
| 21 |
22 |
|
[ACE]C:297 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
3611 |
55.9 |
-0.5 |
0.756 |
0 |
0 |
0 |
1.000 |
| 22 |
23 |
|
[NH2]D:401 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
3831 |
52.3 |
0.7 |
0.758 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]C:401 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
3611 |
45.0 |
0.5 |
0.766 |
0 |
0 |
0 |
0.000 |
| Average: |
48.7 |
0.6 |
0.762 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[ACE]D:297 |
2 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11221 |
36.8 |
-1.0 |
0.494 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
D |
3 |
2 |
3831 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
11179 |
35.5 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
D |
3 |
2 |
3831 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
3611 |
32.1 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
A |
5 |
2 |
11221 |
◊ |
[NH2]C:401 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
117 |
32.0 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[ACE]C:297 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11179 |
31.1 |
-0.1 |
0.825 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[NH2]D:401 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11179 |
24.7 |
-0.3 |
0.272 |
0 |
0 |
0 |
0.014 |
31 |
|
[NH2]C:401 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11221 |
24.5 |
-0.3 |
0.281 |
0 |
0 |
0 |
0.014 |
| Average: |
24.6 |
-0.3 |
0.277 |
0 |
0 |
0 |
0.014 |
| 29 |
32 |
|
B |
1 |
1 |
11179 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
11221 |
24.5 |
0.7 |
0.825 |
1 |
1 |
0 |
0.000 |
| 30 |
33 |
|
[MYR]B:501 |
2 |
1 |
490 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
11221 |
15.6 |
0.5 |
0.490 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
D |
4 |
1 |
3831 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
11221 |
14.4 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
D |
3 |
2 |
3831 |
◊ |
[NH2]D:401 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
117 |
14.2 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
B |
1 |
1 |
11179 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11221 |
8.3 |
0.4 |
0.855 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
D |
2 |
1 |
3831 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
11221 |
4.1 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
A |
2 |
2 |
11221 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
11179 |
2.0 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
|