## |
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 |
179 |
45 |
20656 |
◊ |
A |
x,y,z |
1_555 |
180 |
42 |
20517 |
1694.7 |
-18.0 |
0.117 |
26 |
7 |
0 |
1.000 |
2 |
2 |
|
B |
78 |
23 |
20656 |
◊ |
A |
-x,y,-z |
2_555 |
76 |
22 |
20517 |
728.4 |
-9.2 |
0.117 |
4 |
6 |
0 |
1.000 |
3 |
3 |
|
A |
64 |
19 |
20517 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
59 |
17 |
20517 |
578.2 |
-1.5 |
0.523 |
8 |
6 |
0 |
0.000 |
4 |
4 |
|
[3O6]A:801 |
27 |
1 |
579 |
f |
A |
x,y,z |
1_555 |
61 |
21 |
20517 |
414.2 |
0.6 |
0.407 |
5 |
0 |
0 |
0.149 |
5 |
5 |
|
B |
51 |
18 |
20656 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
47 |
15 |
20656 |
404.1 |
4.0 |
0.895 |
4 |
1 |
0 |
0.000 |
6 |
6 |
|
[3O6]B:801 |
28 |
1 |
577 |
f |
B |
x,y,z |
1_555 |
56 |
20 |
20656 |
401.1 |
1.1 |
0.429 |
5 |
0 |
0 |
0.096 |
7 |
7 |
|
B |
43 |
10 |
20656 |
◊ |
B |
-x,y,-z |
2_555 |
43 |
10 |
20656 |
356.7 |
-3.4 |
0.445 |
2 |
0 |
0 |
0.051 |
8 |
8 |
|
A |
18 |
5 |
20517 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
21 |
6 |
20656 |
204.6 |
-2.2 |
0.310 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
19 |
6 |
20517 |
◊ |
A |
-x,y,-z |
2_555 |
19 |
6 |
20517 |
175.7 |
1.2 |
0.810 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:803 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
20517 |
120.6 |
3.1 |
0.400 |
4 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:803 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20656 |
118.6 |
3.1 |
0.401 |
2 |
0 |
0 |
0.000 |
Average: |
119.6 |
3.1 |
0.400 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:802 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20517 |
106.7 |
3.4 |
0.471 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:805 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20656 |
101.2 |
3.2 |
0.529 |
3 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:804 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
20656 |
99.1 |
1.9 |
0.230 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[IMD]A:810 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20517 |
99.0 |
3.2 |
0.280 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:805 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
20517 |
98.5 |
3.8 |
0.509 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:808 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20656 |
98.0 |
3.7 |
0.508 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:804 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20517 |
95.5 |
3.1 |
0.323 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:808 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
20517 |
89.5 |
2.9 |
0.319 |
5 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:802 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
20656 |
88.9 |
3.9 |
0.586 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:806 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
20656 |
85.4 |
2.9 |
0.315 |
5 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]A:806 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
20517 |
82.1 |
2.2 |
0.371 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
B |
10 |
3 |
20656 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
20517 |
76.8 |
0.7 |
0.767 |
0 |
2 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:807 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20656 |
74.6 |
1.2 |
0.675 |
2 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]A:807 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
20517 |
70.1 |
1.8 |
0.258 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:807 |
4 |
1 |
184 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
20517 |
64.3 |
0.5 |
0.479 |
1 |
0 |
0 |
0.000 |
26 |
27 |
|
[IMD]B:809 |
5 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20656 |
56.3 |
1.6 |
0.165 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[IMD]B:809 |
5 |
1 |
198 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
3 |
20656 |
56.2 |
1.7 |
0.223 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[CL]A:811 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
20517 |
51.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.702 |
29 |
30 |
|
[MG]A:809 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20517 |
51.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.874 |
30 |
31 |
|
[EDO]B:804 |
4 |
1 |
183 |
f |
[3O6]B:801 |
x,y,z |
1_555 |
4 |
1 |
577 |
42.5 |
2.0 |
0.794 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[CL]A:811 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z |
2_555 |
7 |
3 |
20656 |
38.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.465 |
32 |
33 |
|
[EDO]B:802 |
3 |
1 |
184 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
20656 |
36.5 |
1.1 |
0.900 |
1 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:807 |
2 |
1 |
184 |
◊ |
[EDO]A:806 |
x,y,z |
1_555 |
3 |
1 |
185 |
34.4 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[IMD]B:809 |
5 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20517 |
34.1 |
0.6 |
0.059 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[IMD]B:809 |
5 |
1 |
198 |
f |
A |
-x,y,-z |
2_555 |
6 |
3 |
20517 |
33.9 |
0.6 |
0.049 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]B:807 |
3 |
1 |
185 |
◊ |
[EDO]B:802 |
x,y,z |
1_555 |
2 |
1 |
184 |
31.4 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
A |
4 |
3 |
20517 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
20656 |
30.7 |
-0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]B:807 |
2 |
1 |
185 |
f |
[EDO]B:806 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.1 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[EDO]A:806 |
3 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
20517 |
24.8 |
0.3 |
0.763 |
1 |
0 |
0 |
0.012 |
40 |
41 |
|
B |
4 |
1 |
20656 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
2 |
20517 |
23.8 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[EDO]B:807 |
1 |
1 |
185 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
20656 |
22.4 |
0.4 |
0.212 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[EDO]A:806 |
2 |
1 |
185 |
f |
[EDO]A:805 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.6 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
A |
2 |
1 |
20517 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
20517 |
3.8 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
|