## |
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 |
188 |
42 |
15859 |
◊ |
A |
x,y,z |
1_555 |
182 |
41 |
15823 |
1838.7 |
-15.1 |
0.273 |
15 |
1 |
0 |
0.688 |
2 |
|
D |
178 |
42 |
15677 |
◊ |
C |
x,y,z |
1_555 |
174 |
41 |
15747 |
1706.7 |
-13.7 |
0.320 |
12 |
0 |
0 |
0.688 |
Average: |
1772.7 |
-14.4 |
0.296 |
14 |
1 |
0 |
0.688 |
2 |
3 |
|
C |
87 |
26 |
15747 |
◊ |
A |
x,y,z |
1_555 |
77 |
24 |
15823 |
735.2 |
-2.3 |
0.663 |
11 |
2 |
0 |
0.000 |
4 |
|
D |
73 |
22 |
15677 |
◊ |
B |
x,y-1/2,z-1/2 |
5_544 |
69 |
22 |
15859 |
662.3 |
-3.6 |
0.539 |
10 |
0 |
0 |
0.000 |
Average: |
698.7 |
-2.9 |
0.601 |
11 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
47 |
15 |
15859 |
◊ |
A |
-x+1/2,-y+1/2,z |
14_555 |
47 |
17 |
15823 |
441.6 |
1.2 |
0.825 |
3 |
3 |
0 |
0.000 |
6 |
|
C |
45 |
16 |
15747 |
◊ |
C |
-x,-y,z |
2_555 |
45 |
16 |
15747 |
437.9 |
2.1 |
0.873 |
4 |
4 |
0 |
0.000 |
7 |
|
D |
49 |
16 |
15677 |
◊ |
D |
-x,-y,z |
2_555 |
49 |
16 |
15677 |
424.5 |
1.5 |
0.849 |
4 |
4 |
0 |
0.000 |
Average: |
434.7 |
1.6 |
0.849 |
4 |
4 |
0 |
0.000 |
4 |
8 |
|
B |
22 |
7 |
15859 |
◊ |
B |
-x,y,-z |
3_555 |
22 |
7 |
15859 |
195.7 |
-2.1 |
0.389 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
D |
19 |
7 |
15677 |
◊ |
C |
-x+1/2,y,-z-1/2 |
11_554 |
22 |
6 |
15747 |
190.2 |
-1.8 |
0.358 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
C |
22 |
7 |
15747 |
◊ |
A |
x,-y,-z |
4_555 |
20 |
6 |
15823 |
166.6 |
-0.8 |
0.545 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[PEG]A:503 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
15823 |
165.8 |
5.0 |
0.565 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
15 |
5 |
15823 |
◊ |
A |
-x,y,-z |
3_555 |
15 |
5 |
15823 |
148.2 |
-1.8 |
0.339 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[PEG]A:504 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
15823 |
143.5 |
3.4 |
0.422 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]B:505 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
15859 |
116.6 |
4.4 |
0.590 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
15859 |
115.4 |
2.9 |
0.503 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]C:505 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
15747 |
114.7 |
2.9 |
0.486 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
15823 |
112.3 |
2.9 |
0.520 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]C:503 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
15747 |
93.3 |
2.8 |
0.931 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
15677 |
75.9 |
2.4 |
0.309 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15859 |
75.8 |
1.9 |
0.265 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]D:505 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
15677 |
74.1 |
1.8 |
0.836 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[PEG]A:504 |
6 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
15747 |
72.4 |
1.1 |
0.199 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]C:504 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
15747 |
70.3 |
2.3 |
0.906 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
[NA]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15823 |
68.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.206 |
21 |
25 |
|
[EDO]D:503 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
15747 |
63.0 |
0.8 |
0.499 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
15677 |
58.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.708 |
27 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
15823 |
57.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.708 |
28 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
15859 |
56.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.708 |
29 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
15747 |
56.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.708 |
Average: |
57.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.708 |
23 |
30 |
|
[EDO]D:503 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
15677 |
47.5 |
1.9 |
0.970 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
15823 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.233 |
25 |
32 |
|
[EDO]B:504 |
1 |
1 |
184 |
f |
[CA]B:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.035 |
26 |
33 |
|
[EDO]A:505 |
1 |
1 |
184 |
f |
[CA]A:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.025 |
27 |
34 |
|
[EDO]C:505 |
1 |
1 |
184 |
f |
[CA]C:502 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.041 |
|