## |
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 |
|
G |
208 |
62 |
18378 |
◊ |
E |
x,y,z |
1_555 |
203 |
62 |
18124 |
2007.2 |
-3.7 |
0.531 |
28 |
7 |
0 |
1.000 |
2 |
|
H |
200 |
59 |
18346 |
◊ |
F |
x,y,z |
1_555 |
202 |
62 |
18275 |
1972.9 |
-6.7 |
0.369 |
27 |
8 |
0 |
1.000 |
Average: |
1990.1 |
-5.2 |
0.450 |
28 |
8 |
0 |
1.000 |
2 |
3 |
|
G |
155 |
49 |
18378 |
◊ |
C |
x,y,z |
1_555 |
136 |
42 |
6825 |
1394.7 |
-5.8 |
0.386 |
22 |
7 |
0 |
1.000 |
4 |
|
F |
147 |
46 |
18275 |
◊ |
B |
x,y,z |
1_555 |
135 |
39 |
7018 |
1275.8 |
-4.8 |
0.418 |
17 |
7 |
0 |
1.000 |
5 |
|
E |
148 |
47 |
18124 |
◊ |
A |
x,y,z |
1_555 |
132 |
41 |
7266 |
1253.2 |
-4.1 |
0.423 |
20 |
7 |
0 |
1.000 |
Average: |
1307.9 |
-4.9 |
0.409 |
20 |
7 |
0 |
1.000 |
3 |
6 |
|
H |
151 |
49 |
18346 |
◊ |
D |
x,y,z |
1_555 |
139 |
39 |
6755 |
1357.4 |
-4.5 |
0.433 |
21 |
8 |
0 |
0.597 |
4 |
7 |
|
H |
50 |
17 |
18346 |
◊ |
E |
x,y,z |
1_555 |
58 |
19 |
18124 |
530.2 |
-5.4 |
0.155 |
4 |
3 |
0 |
0.000 |
5 |
8 |
|
F |
51 |
17 |
18275 |
◊ |
G |
x-1,y,z+1 |
1_456 |
50 |
18 |
18378 |
465.8 |
-5.1 |
0.176 |
4 |
5 |
0 |
0.000 |
6 |
9 |
|
H |
43 |
9 |
18346 |
◊ |
F |
-x-1,y-1/2,-z+2 |
2_447 |
44 |
16 |
18275 |
412.9 |
-3.0 |
0.275 |
4 |
1 |
0 |
0.000 |
7 |
10 |
|
G |
38 |
11 |
18378 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
46 |
17 |
18124 |
401.8 |
-2.1 |
0.377 |
5 |
3 |
0 |
0.000 |
8 |
11 |
|
F |
38 |
13 |
18275 |
◊ |
G |
x-1,y,z |
1_455 |
39 |
12 |
18378 |
359.8 |
-3.4 |
0.176 |
0 |
1 |
0 |
0.000 |
9 |
12 |
|
E |
39 |
11 |
18124 |
x |
E |
-x,y-1/2,-z+1 |
2_546 |
39 |
12 |
18124 |
354.1 |
0.5 |
0.613 |
2 |
4 |
0 |
0.000 |
13 |
|
F |
40 |
13 |
18275 |
x |
F |
-x-1,y-1/2,-z+2 |
2_447 |
39 |
13 |
18275 |
344.2 |
-0.2 |
0.433 |
2 |
4 |
0 |
0.000 |
Average: |
349.1 |
0.2 |
0.523 |
2 |
4 |
0 |
0.000 |
10 |
14 |
|
G |
39 |
12 |
18378 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
37 |
11 |
7266 |
348.9 |
-0.3 |
0.554 |
5 |
1 |
0 |
0.000 |
15 |
|
H |
39 |
13 |
18346 |
◊ |
B |
-x-1,y-1/2,-z+2 |
2_447 |
37 |
12 |
7018 |
327.6 |
0.0 |
0.587 |
5 |
0 |
0 |
0.000 |
Average: |
338.2 |
-0.1 |
0.570 |
5 |
1 |
0 |
0.000 |
11 |
16 |
|
B |
29 |
9 |
7018 |
◊ |
H |
x-1,y,z |
1_455 |
30 |
9 |
18346 |
286.0 |
-0.7 |
0.508 |
5 |
2 |
0 |
0.000 |
17 |
|
A |
31 |
9 |
7266 |
◊ |
G |
x-1,y,z |
1_455 |
31 |
9 |
18378 |
282.5 |
-0.5 |
0.525 |
4 |
2 |
0 |
0.000 |
Average: |
284.3 |
-0.6 |
0.516 |
5 |
2 |
0 |
0.000 |
12 |
18 |
|
C |
25 |
9 |
6825 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
21 |
6 |
18346 |
226.7 |
-2.3 |
0.272 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
E |
20 |
7 |
18124 |
◊ |
H |
x,y,z-1 |
1_554 |
32 |
12 |
18346 |
218.5 |
-2.1 |
0.295 |
3 |
1 |
0 |
0.000 |
14 |
20 |
|
H |
19 |
7 |
18346 |
◊ |
G |
x-1,y,z |
1_455 |
20 |
8 |
18378 |
160.5 |
1.5 |
0.539 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
D |
16 |
9 |
6755 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
16 |
5 |
7266 |
150.3 |
0.3 |
0.627 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
E |
18 |
8 |
18124 |
◊ |
G |
x-1,y,z |
1_455 |
18 |
6 |
18378 |
141.9 |
-1.1 |
0.386 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
22 |
9 |
18275 |
◊ |
H |
x-1,y,z |
1_455 |
16 |
7 |
18346 |
133.2 |
-1.5 |
0.359 |
0 |
0 |
0 |
0.000 |
Average: |
137.5 |
-1.3 |
0.372 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
C |
16 |
6 |
6825 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
7018 |
137.3 |
-0.7 |
0.449 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[PEG]E:457 |
7 |
1 |
263 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
18124 |
123.6 |
2.7 |
0.309 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
E |
9 |
4 |
18124 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
16 |
8 |
7018 |
120.6 |
0.8 |
0.663 |
3 |
0 |
0 |
0.000 |
20 |
27 |
|
G |
14 |
5 |
18378 |
◊ |
H |
x,y,z-1 |
1_554 |
12 |
5 |
18346 |
115.5 |
1.2 |
0.615 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
C |
12 |
5 |
6825 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
7 |
18378 |
115.4 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
10 |
4 |
6755 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
10 |
6 |
18346 |
70.8 |
-0.0 |
0.462 |
0 |
0 |
0 |
0.000 |
Average: |
93.1 |
-0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]G:457 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
19 |
6 |
18378 |
111.4 |
4.0 |
0.527 |
2 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]F:457 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
6 |
18275 |
111.1 |
4.2 |
0.548 |
2 |
0 |
0 |
0.000 |
24 |
32 |
|
[EDO]E:458 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
20 |
6 |
18124 |
110.3 |
3.9 |
0.487 |
2 |
0 |
0 |
0.000 |
25 |
33 |
|
[PEG]E:457 |
6 |
1 |
263 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
18346 |
109.2 |
2.3 |
0.303 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[EDO]F:459 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
20 |
6 |
18275 |
102.0 |
2.7 |
0.460 |
3 |
0 |
0 |
0.000 |
27 |
35 |
|
[EDO]G:460 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
22 |
6 |
18378 |
95.7 |
2.9 |
0.451 |
2 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]E:459 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
18124 |
95.4 |
2.8 |
0.458 |
2 |
0 |
0 |
0.000 |
29 |
37 |
|
[EDO]H:459 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
18346 |
94.3 |
2.7 |
0.456 |
2 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]H:457 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
16 |
6 |
18346 |
94.1 |
2.5 |
0.424 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[EDO]G:458 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
21 |
6 |
18378 |
94.0 |
2.6 |
0.447 |
2 |
0 |
0 |
0.000 |
32 |
40 |
|
[EDO]F:458 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
18275 |
91.6 |
2.5 |
0.445 |
2 |
0 |
0 |
0.000 |
33 |
41 |
|
[EDO]A:126 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
18124 |
91.0 |
2.3 |
0.246 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[EDO]G:459 |
4 |
1 |
185 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
10 |
5 |
7266 |
82.6 |
1.8 |
0.735 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[EDO]H:458 |
4 |
1 |
185 |
f |
B |
-x-1,y-1/2,-z+2 |
2_447 |
9 |
5 |
7018 |
82.2 |
2.0 |
0.239 |
1 |
0 |
0 |
0.000 |
36 |
44 |
|
[EDO]H:458 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
18346 |
72.4 |
1.9 |
0.235 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[EDO]G:459 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
18378 |
70.2 |
2.0 |
0.240 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
D |
7 |
4 |
6755 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
18124 |
53.7 |
-0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[EDO]F:459 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
7018 |
48.0 |
1.8 |
0.273 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[EDO]G:460 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
1 |
6825 |
42.0 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[EDO]E:459 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
7266 |
42.0 |
1.0 |
0.724 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[EDO]F:458 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
7018 |
35.3 |
1.1 |
0.862 |
1 |
0 |
0 |
0.000 |
43 |
51 |
|
[EDO]A:126 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7266 |
35.0 |
1.2 |
0.855 |
1 |
0 |
0 |
0.000 |
44 |
52 |
|
D |
3 |
1 |
6755 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
18378 |
34.3 |
-0.2 |
0.331 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[EDO]G:458 |
3 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
6825 |
33.9 |
1.3 |
0.923 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
[EDO]H:459 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
1 |
6755 |
33.2 |
0.8 |
0.782 |
1 |
0 |
0 |
0.000 |
47 |
55 |
|
[EDO]H:457 |
2 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
6755 |
14.0 |
0.4 |
0.841 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
E |
1 |
1 |
18124 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6825 |
5.4 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
E |
1 |
1 |
18124 |
f |
[EDO]G:457 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
3.1 |
0.1 |
0.868 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
F |
1 |
1 |
18275 |
◊ |
B |
-x-1,y-1/2,-z+2 |
2_447 |
1 |
1 |
7018 |
2.8 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
C |
1 |
1 |
6825 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
18124 |
1.0 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
|