| ## |
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 |
|
A |
443 |
119 |
19667 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
439 |
117 |
19667 |
4090.3 |
-54.6 |
0.007 |
32 |
16 |
0 |
0.237 |
| 2 |
2 |
|
A |
50 |
15 |
19667 |
◊ |
A |
x,-y,-z |
4_555 |
50 |
15 |
19667 |
446.1 |
-5.2 |
0.248 |
2 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
38 |
10 |
19667 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
39 |
11 |
19667 |
385.9 |
0.6 |
0.762 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
36 |
10 |
19667 |
x |
A |
-x+1,-y,z-1/2 |
2_654 |
20 |
3 |
19667 |
226.0 |
-0.7 |
0.476 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[NPO]A:912 |
10 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
19667 |
158.3 |
4.9 |
0.403 |
4 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[NAG]A:803 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
19 |
6 |
19667 |
145.4 |
2.9 |
0.295 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[NPO]A:913 |
10 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
19667 |
129.2 |
2.0 |
0.113 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NPO]A:911 |
9 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
19667 |
106.3 |
2.2 |
0.045 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PO4]A:950 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
19667 |
95.8 |
-5.8 |
0.875 |
3 |
0 |
0 |
0.047 |
| 10 |
10 |
|
[ACT]A:935 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19667 |
85.9 |
-0.6 |
0.549 |
1 |
0 |
0 |
0.007 |
| 11 |
11 |
|
[NAG]A:801 |
8 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
12 |
4 |
19667 |
85.3 |
2.7 |
0.444 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[ACT]A:934 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19667 |
84.7 |
0.5 |
0.803 |
2 |
0 |
0 |
0.002 |
| 13 |
13 |
|
[NAG]A:801 |
5 |
1 |
364 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
11 |
5 |
19667 |
80.4 |
1.9 |
0.476 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[NPO]A:913 |
8 |
1 |
279 |
◊ |
A |
x,-y,-z |
4_555 |
12 |
4 |
19667 |
79.8 |
1.5 |
0.073 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[NAG]A:802 |
10 |
1 |
363 |
cf |
[NAG]A:801 |
x,y,z |
1_555 |
6 |
1 |
364 |
75.0 |
1.9 |
0.087 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:804 |
10 |
1 |
364 |
cf |
[NAG]A:803 |
x,y,z |
1_555 |
7 |
1 |
360 |
74.7 |
1.9 |
0.084 |
0 |
0 |
0 |
0.000 |
| Average: |
74.9 |
1.9 |
0.086 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
A |
9 |
3 |
19667 |
◊ |
[ACT]A:933 |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
183 |
74.6 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
6 |
2 |
19667 |
f |
[NPO]A:912 |
x-1/2,-y+1/2,-z |
8_455 |
7 |
1 |
278 |
58.5 |
1.1 |
0.036 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[NA]A:941 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
19667 |
56.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| 19 |
20 |
|
[ACT]A:933 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
19667 |
55.3 |
-0.6 |
0.503 |
0 |
0 |
0 |
0.004 |
| 20 |
21 |
|
A |
8 |
2 |
19667 |
x |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
8 |
3 |
19667 |
54.9 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[NPO]A:913 |
6 |
1 |
279 |
f |
A |
-x+1,-y,z-1/2 |
2_654 |
9 |
2 |
19667 |
50.7 |
0.2 |
0.012 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[NPO]A:911 |
3 |
1 |
282 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
8 |
1 |
19667 |
49.5 |
1.0 |
0.354 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[NAG]A:802 |
5 |
1 |
363 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
7 |
2 |
19667 |
47.9 |
1.1 |
0.362 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[ZN]A:903 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
19667 |
47.2 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.243 |
| 25 |
26 |
|
[MG]A:904 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
19667 |
47.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.062 |
| 26 |
27 |
|
[CA]A:905 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
19667 |
43.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.085 |
| 27 |
28 |
|
[ZN]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
19667 |
41.3 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.211 |
| 28 |
29 |
|
[NAG]A:804 |
5 |
1 |
364 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
1 |
19667 |
39.8 |
0.8 |
0.390 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[ACT]A:933 |
3 |
1 |
183 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
4 |
1 |
19667 |
24.3 |
0.4 |
0.840 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[NAG]A:804 |
3 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
19667 |
12.2 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[ZN]A:902 |
1 |
1 |
98 |
f |
[ZN]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.062 |
| 32 |
33 |
|
[ZN]A:903 |
1 |
1 |
98 |
f |
[ZN]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| 33 |
34 |
|
[MG]A:904 |
1 |
1 |
98 |
f |
[ZN]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
| 34 |
35 |
|
[NPO]A:911 |
1 |
1 |
282 |
f |
[ZN]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 35 |
36 |
|
[NAG]A:801 |
1 |
1 |
364 |
◊ |
[ACT]A:933 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
183 |
1.2 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[ZN]A:901 |
1 |
1 |
98 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
19667 |
1.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|