| ## |
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 |
61 |
20 |
6580 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
60 |
20 |
6580 |
605.9 |
-1.7 |
0.311 |
8 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
44 |
15 |
6580 |
◊ |
A |
x-y,-y,-z+1 |
8_556 |
44 |
15 |
6580 |
414.2 |
1.7 |
0.562 |
8 |
0 |
0 |
0.027 |
| 3 |
3 |
|
A |
49 |
15 |
6580 |
x |
A |
x-y,x,z+1/6 |
6_555 |
41 |
10 |
6580 |
357.9 |
2.0 |
0.564 |
5 |
1 |
0 |
0.000 |
| 4 |
4 |
|
[NO3]A:165 |
4 |
1 |
169 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
6580 |
104.6 |
1.4 |
0.505 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[NO3]A:154 |
4 |
1 |
164 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6580 |
95.0 |
1.1 |
0.442 |
3 |
0 |
0 |
0.006 |
| 6 |
6 |
|
[NO3]A:156 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
6580 |
87.6 |
1.8 |
0.564 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[NO3]A:157 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6580 |
83.3 |
0.9 |
0.372 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NO3]A:161 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
6580 |
79.6 |
1.1 |
0.511 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[NO3]A:159 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
6580 |
78.8 |
0.7 |
0.350 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[NO3]A:163 |
4 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
6580 |
78.6 |
1.1 |
0.412 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NO3]A:162 |
4 |
1 |
168 |
◊ |
A |
x-y,-y,-z+1 |
8_556 |
13 |
6 |
6580 |
72.7 |
1.5 |
0.494 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[NO3]A:155 |
4 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
6580 |
72.4 |
1.1 |
0.443 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
A |
10 |
6 |
6580 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
10 |
6 |
6580 |
71.7 |
0.4 |
0.607 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[NO3]A:164 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
6580 |
71.3 |
1.7 |
0.539 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[NO3]A:152 |
4 |
1 |
170 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6580 |
69.6 |
1.4 |
0.494 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[NO3]A:151 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6580 |
66.5 |
0.6 |
0.346 |
2 |
0 |
0 |
0.007 |
| 17 |
17 |
|
[NO3]A:160 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6580 |
61.3 |
0.2 |
0.288 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
A |
7 |
3 |
6580 |
f |
[NO3]A:159 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
167 |
58.6 |
0.9 |
0.441 |
2 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[NO3]A:158 |
4 |
1 |
165 |
◊ |
[NO3]A:158 |
x-y,-y,-z+1 |
8_556 |
4 |
1 |
165 |
56.0 |
1.3 |
0.367 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[NO3]A:153 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6580 |
56.0 |
0.6 |
0.442 |
2 |
0 |
0 |
0.009 |
| 21 |
21 |
|
[NA]A:132 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
9 |
5 |
6580 |
54.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.222 |
| 22 |
22 |
|
A |
6 |
3 |
6580 |
f |
[NO3]A:164 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
167 |
50.9 |
0.8 |
0.319 |
2 |
0 |
0 |
0.002 |
| 23 |
23 |
|
A |
7 |
4 |
6580 |
◊ |
[NO3]A:152 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
170 |
50.2 |
0.8 |
0.452 |
1 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[NO3]A:150 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
6580 |
50.1 |
0.7 |
0.445 |
3 |
0 |
0 |
0.017 |
| 25 |
25 |
|
[NA]A:131 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
6580 |
49.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.265 |
| 26 |
26 |
|
[NO3]A:150 |
4 |
1 |
165 |
◊ |
A |
x-y,-y,-z+1 |
8_556 |
13 |
5 |
6580 |
49.9 |
0.7 |
0.444 |
3 |
0 |
0 |
0.017 |
| 27 |
27 |
|
[NA]A:133 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
13 |
5 |
6580 |
49.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[NA]A:134 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6580 |
48.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.161 |
| 29 |
29 |
|
[NA]A:135 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6580 |
40.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.160 |
| 30 |
30 |
|
[NO3]A:162 |
3 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6580 |
39.1 |
0.1 |
0.064 |
1 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[NO3]A:158 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
6580 |
37.0 |
0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[NO3]A:160 |
3 |
1 |
167 |
f |
A |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
6580 |
36.9 |
1.2 |
0.971 |
2 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[NO3]A:158 |
4 |
1 |
165 |
f |
A |
x-y,-y,-z+1 |
8_556 |
10 |
3 |
6580 |
36.6 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
| 34 |
34 |
|
[NO3]A:153 |
3 |
1 |
167 |
x |
[NA]A:133 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[NO3]A:161 |
3 |
1 |
167 |
x |
[NA]A:135 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[NA]A:135 |
1 |
1 |
125 |
x |
[NO3]A:155 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
166 |
24.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[NO3]A:160 |
4 |
1 |
167 |
◊ |
[NO3]A:151 |
x,y,z |
1_555 |
4 |
1 |
165 |
33.6 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[NO3]A:153 |
4 |
1 |
167 |
◊ |
A |
x-y,-y,-z+1 |
8_556 |
11 |
6 |
6580 |
33.4 |
1.1 |
0.865 |
1 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[NO3]A:150 |
3 |
1 |
165 |
fx |
[NA]A:132 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.120 |
| 38 |
40 |
|
[NO3]A:152 |
3 |
1 |
170 |
f |
[NA]A:134 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.159 |
41 |
|
[NO3]A:156 |
3 |
1 |
168 |
f |
[NA]A:131 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.159 |
| Average: |
31.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.159 |
| 39 |
42 |
|
A |
5 |
4 |
6580 |
◊ |
[NA]A:134 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
125 |
31.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[NO3]A:163 |
2 |
1 |
168 |
f |
A |
x-y,-y,-z+1 |
8_556 |
2 |
1 |
6580 |
29.3 |
0.9 |
0.962 |
1 |
0 |
0 |
0.000 |
| 41 |
44 |
|
A |
6 |
2 |
6580 |
◊ |
[NO3]A:155 |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
166 |
27.9 |
0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[NA]A:135 |
1 |
1 |
125 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
6 |
3 |
6580 |
27.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[NO3]A:160 |
2 |
1 |
167 |
◊ |
[NO3]A:164 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
167 |
20.8 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[NO3]A:162 |
3 |
1 |
168 |
◊ |
[NO3]A:153 |
x,y,z |
1_555 |
4 |
1 |
167 |
20.8 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
A |
2 |
1 |
6580 |
◊ |
A |
x-y,-y,-z |
8_555 |
2 |
1 |
6580 |
17.1 |
-0.5 |
0.234 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[NO3]A:161 |
3 |
1 |
167 |
◊ |
[NO3]A:155 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
166 |
16.1 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[NO3]A:153 |
3 |
1 |
167 |
◊ |
[NO3]A:153 |
x-y,-y,-z+1 |
8_556 |
3 |
1 |
167 |
14.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[NO3]A:158 |
1 |
1 |
165 |
◊ |
[NO3]A:150 |
x-y,-y,-z+1 |
8_556 |
1 |
1 |
165 |
11.9 |
0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[NO3]A:158 |
1 |
1 |
165 |
◊ |
[NO3]A:150 |
x,y,z |
1_555 |
1 |
1 |
165 |
11.9 |
0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[NO3]A:162 |
1 |
1 |
168 |
fx |
[NA]A:133 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 51 |
54 |
|
[NO3]A:165 |
3 |
1 |
169 |
f |
A |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
6580 |
7.1 |
0.3 |
0.943 |
0 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[NO3]A:161 |
1 |
1 |
167 |
f |
A |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
6580 |
4.5 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
| 53 |
56 |
|
[NO3]A:162 |
1 |
1 |
168 |
◊ |
[NO3]A:153 |
x-y,-y,-z+1 |
8_556 |
1 |
1 |
167 |
1.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|