| ## |
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 |
|
B |
218 |
58 |
11140 |
◊ |
A |
x,y,z |
1_555 |
212 |
55 |
11444 |
1962.4 |
-24.0 |
0.081 |
14 |
0 |
0 |
1.000 |
2 |
|
F |
210 |
54 |
11390 |
◊ |
E |
x,y,z |
1_555 |
221 |
58 |
11016 |
1954.4 |
-20.0 |
0.190 |
13 |
0 |
0 |
1.000 |
3 |
|
D |
203 |
50 |
11256 |
◊ |
C |
x,y,z |
1_555 |
206 |
53 |
11397 |
1825.6 |
-19.4 |
0.198 |
18 |
0 |
0 |
1.000 |
| Average: |
1914.1 |
-21.1 |
0.156 |
15 |
0 |
0 |
1.000 |
| 2 |
4 |
|
F |
105 |
34 |
11390 |
◊ |
A |
x,y,z |
1_555 |
108 |
34 |
11444 |
1064.2 |
-20.8 |
0.010 |
5 |
5 |
0 |
1.000 |
5 |
|
E |
107 |
33 |
11016 |
◊ |
D |
x,y,z |
1_555 |
108 |
34 |
11256 |
1039.4 |
-20.5 |
0.008 |
5 |
4 |
0 |
1.000 |
6 |
|
C |
108 |
33 |
11397 |
◊ |
B |
x,y,z |
1_555 |
106 |
34 |
11140 |
1014.0 |
-20.8 |
0.007 |
3 |
3 |
0 |
1.000 |
| Average: |
1039.2 |
-20.7 |
0.008 |
4 |
4 |
0 |
1.000 |
| 3 |
7 |
|
B |
41 |
11 |
11140 |
◊ |
E |
x-1,y,z |
1_455 |
40 |
12 |
11016 |
341.4 |
-1.4 |
0.601 |
2 |
0 |
0 |
0.000 |
| 4 |
8 |
|
C |
21 |
7 |
11397 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
11444 |
199.8 |
2.3 |
0.817 |
6 |
4 |
0 |
0.037 |
9 |
|
E |
14 |
3 |
11016 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
11444 |
189.0 |
2.0 |
0.801 |
4 |
2 |
0 |
0.037 |
10 |
|
F |
13 |
3 |
11390 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
11256 |
188.9 |
1.0 |
0.775 |
3 |
0 |
0 |
0.037 |
11 |
|
E |
19 |
7 |
11016 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
11397 |
181.8 |
1.7 |
0.715 |
5 |
4 |
0 |
0.037 |
12 |
|
D |
14 |
3 |
11256 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
11140 |
177.8 |
1.4 |
0.679 |
5 |
3 |
0 |
0.037 |
13 |
|
F |
19 |
6 |
11390 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
11140 |
173.8 |
1.2 |
0.782 |
6 |
3 |
0 |
0.037 |
| Average: |
185.2 |
1.6 |
0.762 |
5 |
3 |
0 |
0.037 |
| 5 |
14 |
|
E |
24 |
10 |
11016 |
◊ |
A |
x,y-1,z |
1_545 |
21 |
5 |
11444 |
191.3 |
-0.8 |
0.488 |
2 |
0 |
0 |
0.000 |
| 6 |
15 |
|
D |
20 |
7 |
11256 |
◊ |
A |
x,y-1,z+1 |
1_546 |
19 |
6 |
11444 |
186.5 |
-0.1 |
0.625 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
20 |
7 |
11140 |
◊ |
E |
x-1,y+1,z |
1_465 |
26 |
9 |
11016 |
185.6 |
-0.2 |
0.593 |
2 |
0 |
0 |
0.000 |
17 |
|
C |
20 |
5 |
11397 |
◊ |
F |
x-1,y,z+1 |
1_456 |
20 |
7 |
11390 |
176.2 |
-0.2 |
0.638 |
2 |
0 |
0 |
0.000 |
| Average: |
182.8 |
-0.2 |
0.619 |
2 |
0 |
0 |
0.000 |
| 7 |
18 |
|
D |
20 |
6 |
11256 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
7 |
11140 |
158.3 |
0.3 |
0.487 |
1 |
1 |
0 |
0.000 |
| 8 |
19 |
|
[URA]F:301 |
8 |
1 |
237 |
f |
F |
x,y,z |
1_555 |
24 |
12 |
11390 |
140.3 |
1.1 |
0.338 |
3 |
0 |
0 |
0.007 |
20 |
|
[URA]A:301 |
8 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
11444 |
136.4 |
2.1 |
0.465 |
3 |
0 |
0 |
0.007 |
21 |
|
[URA]B:301 |
8 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
11140 |
135.0 |
4.0 |
0.613 |
3 |
0 |
0 |
0.007 |
22 |
|
[URA]E:301 |
8 |
1 |
237 |
f |
E |
x,y,z |
1_555 |
27 |
13 |
11016 |
133.4 |
3.9 |
0.611 |
3 |
0 |
0 |
0.007 |
| Average: |
136.3 |
2.8 |
0.507 |
3 |
0 |
0 |
0.007 |
| 9 |
23 |
|
[GOL]F:303 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
11390 |
119.1 |
-0.5 |
0.586 |
4 |
0 |
0 |
0.095 |
| 10 |
24 |
|
[GOL]D:301 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
11256 |
117.5 |
-0.6 |
0.508 |
3 |
0 |
0 |
0.100 |
| 11 |
25 |
|
[GOL]C:301 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
11397 |
113.2 |
-1.2 |
0.442 |
1 |
0 |
0 |
0.098 |
| 12 |
26 |
|
[GOL]B:302 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11140 |
111.9 |
-0.5 |
0.561 |
4 |
0 |
0 |
0.118 |
27 |
|
[GOL]E:302 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
11016 |
111.5 |
-0.5 |
0.557 |
4 |
0 |
0 |
0.118 |
| Average: |
111.7 |
-0.5 |
0.559 |
4 |
0 |
0 |
0.118 |
| 13 |
28 |
|
[GOL]F:302 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
11390 |
111.3 |
-0.7 |
0.487 |
3 |
0 |
0 |
0.083 |
| 14 |
29 |
|
[GOL]A:302 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11444 |
109.5 |
-0.7 |
0.483 |
4 |
0 |
0 |
0.492 |
| 15 |
30 |
|
[PEG]B:303 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
11140 |
107.9 |
1.2 |
0.210 |
2 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[EDO]C:303 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
11397 |
98.1 |
2.2 |
0.278 |
2 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[PEG]B:303 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
11397 |
90.8 |
0.1 |
0.125 |
2 |
0 |
0 |
0.046 |
| 18 |
33 |
|
[EOH]A:304 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11444 |
88.6 |
2.2 |
0.136 |
1 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[EDO]E:303 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
11016 |
85.2 |
1.5 |
0.241 |
1 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[EDO]A:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
11444 |
82.7 |
2.2 |
0.283 |
1 |
0 |
0 |
0.000 |
| 21 |
36 |
|
C |
10 |
2 |
11397 |
◊ |
E |
x-1,y,z+1 |
1_456 |
12 |
4 |
11016 |
81.0 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
12 |
4 |
11397 |
◊ |
A |
x,y-1,z+1 |
1_546 |
10 |
2 |
11444 |
76.1 |
-0.4 |
0.509 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
11 |
3 |
11444 |
◊ |
E |
x-1,y+1,z |
1_465 |
9 |
3 |
11016 |
74.0 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
| Average: |
77.1 |
-0.4 |
0.491 |
0 |
0 |
0 |
0.000 |
| 22 |
39 |
|
[EOH]F:304 |
3 |
1 |
172 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
11390 |
79.8 |
2.5 |
0.162 |
1 |
0 |
0 |
0.000 |
| 23 |
40 |
|
[GOL]C:301 |
5 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11256 |
76.1 |
-0.4 |
0.530 |
1 |
0 |
0 |
0.027 |
| 24 |
41 |
|
F |
10 |
4 |
11390 |
◊ |
C |
x,y,z-1 |
1_554 |
11 |
4 |
11397 |
75.3 |
0.1 |
0.653 |
1 |
2 |
0 |
0.000 |
| 25 |
42 |
|
[EDO]C:302 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
11397 |
69.2 |
1.6 |
0.257 |
1 |
0 |
0 |
0.000 |
| 26 |
43 |
|
[GOL]D:301 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
11397 |
61.5 |
0.7 |
0.618 |
1 |
0 |
0 |
0.000 |
| 27 |
44 |
|
[GOL]A:302 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11140 |
59.7 |
-0.1 |
0.565 |
1 |
0 |
0 |
0.020 |
| 28 |
45 |
|
[EDO]C:302 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11140 |
59.3 |
1.2 |
0.229 |
2 |
0 |
0 |
0.000 |
| 29 |
46 |
|
A |
6 |
1 |
11444 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
5 |
11016 |
59.2 |
0.5 |
0.750 |
0 |
1 |
0 |
0.000 |
| 30 |
47 |
|
[GOL]E:302 |
4 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
11390 |
56.8 |
0.9 |
0.665 |
1 |
0 |
0 |
0.000 |
48 |
|
[GOL]B:302 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11444 |
54.2 |
0.9 |
0.661 |
1 |
0 |
0 |
0.000 |
| Average: |
55.5 |
0.9 |
0.663 |
1 |
0 |
0 |
0.000 |
| 31 |
49 |
|
[GOL]F:302 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11016 |
51.8 |
0.9 |
0.706 |
1 |
0 |
0 |
0.000 |
| 32 |
50 |
|
[EOH]D:302 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
11256 |
48.9 |
1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
51 |
|
[NA]D:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11256 |
45.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.337 |
52 |
|
[NA]F:305 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
11390 |
45.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.337 |
53 |
|
[NA]B:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11140 |
44.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.337 |
54 |
|
[NA]B:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11444 |
44.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.337 |
55 |
|
[NA]F:305 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
11016 |
44.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.337 |
56 |
|
[NA]D:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
11397 |
44.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.337 |
| Average: |
44.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.337 |
| 34 |
57 |
|
[EOH]F:304 |
3 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
7 |
1 |
11016 |
42.9 |
0.7 |
0.528 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[GOL]A:302 |
5 |
1 |
220 |
f |
[URA]A:301 |
x,y,z |
1_555 |
4 |
1 |
237 |
38.9 |
0.8 |
0.356 |
3 |
0 |
0 |
0.114 |
| 36 |
59 |
|
[GOL]F:302 |
4 |
1 |
220 |
f |
[URA]F:301 |
x,y,z |
1_555 |
4 |
1 |
237 |
37.7 |
0.3 |
0.293 |
2 |
0 |
0 |
0.024 |
| 37 |
60 |
|
[GOL]B:302 |
5 |
1 |
221 |
f |
[URA]B:301 |
x,y,z |
1_555 |
4 |
1 |
237 |
37.2 |
0.6 |
0.335 |
2 |
0 |
0 |
0.015 |
61 |
|
[GOL]E:302 |
5 |
1 |
220 |
f |
[URA]E:301 |
x,y,z |
1_555 |
4 |
1 |
237 |
37.1 |
0.7 |
0.366 |
2 |
0 |
0 |
0.015 |
| Average: |
37.2 |
0.6 |
0.351 |
2 |
0 |
0 |
0.015 |
| 38 |
62 |
|
[EOH]D:302 |
3 |
1 |
172 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
11397 |
35.2 |
0.8 |
0.749 |
0 |
0 |
0 |
0.000 |
| 39 |
63 |
|
[EDO]C:303 |
3 |
1 |
185 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
4 |
1 |
183 |
32.3 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 40 |
64 |
|
[GOL]F:303 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
6 |
5 |
11444 |
28.1 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
| 41 |
65 |
|
[EDO]E:303 |
2 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
11390 |
26.7 |
1.2 |
0.900 |
0 |
0 |
0 |
0.000 |
| 42 |
66 |
|
F |
4 |
2 |
11390 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
11256 |
12.9 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
| 43 |
67 |
|
[EDO]C:303 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
11140 |
12.5 |
0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
| 44 |
68 |
|
[URA]A:301 |
2 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11140 |
12.3 |
0.2 |
0.289 |
0 |
0 |
0 |
0.000 |
69 |
|
[URA]F:301 |
2 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11016 |
7.4 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
70 |
|
[URA]E:301 |
2 |
1 |
237 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11390 |
5.9 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
71 |
|
[URA]B:301 |
2 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11444 |
3.8 |
0.0 |
0.279 |
0 |
0 |
0 |
0.000 |
| Average: |
7.4 |
0.1 |
0.287 |
0 |
0 |
0 |
0.000 |
| 45 |
72 |
|
[EDO]A:303 |
2 |
1 |
185 |
f |
E |
x-1,y+1,z |
1_465 |
1 |
1 |
11016 |
11.0 |
0.6 |
0.941 |
0 |
0 |
0 |
0.000 |
| 46 |
73 |
|
[EOH]F:304 |
1 |
1 |
172 |
f |
[URA]F:301 |
x,y,z |
1_555 |
3 |
1 |
237 |
5.4 |
0.2 |
0.372 |
0 |
0 |
0 |
0.000 |
| 47 |
74 |
|
F |
1 |
1 |
11390 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
11444 |
5.1 |
-0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
|