## |
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 |
|
I |
189 |
50 |
11524 |
◊ |
M |
x,y,z |
1_555 |
195 |
57 |
11319 |
1751.1 |
-25.4 |
0.025 |
15 |
0 |
0 |
0.344 |
2 |
|
H |
192 |
48 |
11303 |
◊ |
L |
x,y,z |
1_555 |
191 |
54 |
11239 |
1747.7 |
-19.7 |
0.078 |
13 |
0 |
0 |
0.344 |
Average: |
1749.4 |
-22.5 |
0.051 |
14 |
0 |
0 |
0.344 |
2 |
3 |
|
M |
67 |
21 |
11319 |
◊ |
L |
x,y,z |
1_555 |
66 |
22 |
11239 |
606.6 |
-0.8 |
0.629 |
10 |
0 |
0 |
0.000 |
3 |
4 |
|
H |
45 |
12 |
11303 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
44 |
11 |
11524 |
378.1 |
0.5 |
0.739 |
7 |
2 |
0 |
0.000 |
4 |
5 |
|
M |
38 |
12 |
11319 |
◊ |
L |
x-1,y,z |
1_455 |
39 |
14 |
11239 |
357.4 |
1.2 |
0.752 |
7 |
2 |
0 |
0.000 |
5 |
6 |
|
H |
38 |
18 |
11303 |
◊ |
I |
-x,y-1/2,-z+1/2 |
4_545 |
41 |
16 |
11524 |
325.6 |
3.5 |
0.883 |
4 |
5 |
0 |
0.000 |
6 |
7 |
|
I |
37 |
10 |
11524 |
x |
I |
x-1/2,-y-1/2,-z+1 |
3_446 |
34 |
12 |
11524 |
299.4 |
0.5 |
0.724 |
4 |
0 |
0 |
0.000 |
7 |
8 |
|
L |
35 |
12 |
11239 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
35 |
9 |
11524 |
296.7 |
1.7 |
0.778 |
4 |
0 |
0 |
0.000 |
9 |
|
H |
33 |
10 |
11303 |
◊ |
M |
-x+1,y-1/2,-z+1/2 |
4_645 |
28 |
11 |
11319 |
255.2 |
1.2 |
0.746 |
3 |
0 |
0 |
0.000 |
Average: |
275.9 |
1.4 |
0.762 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
H |
37 |
11 |
11303 |
◊ |
I |
-x+1/2,-y-1,z-1/2 |
2_544 |
27 |
10 |
11524 |
251.5 |
-0.9 |
0.567 |
4 |
0 |
0 |
0.000 |
9 |
11 |
|
L |
27 |
8 |
11239 |
◊ |
H |
x-1/2,-y-1/2,-z |
3_445 |
23 |
10 |
11303 |
226.5 |
-0.0 |
0.571 |
7 |
0 |
0 |
0.000 |
10 |
12 |
|
M |
19 |
9 |
11319 |
x |
M |
x-1,y,z |
1_455 |
21 |
10 |
11319 |
198.7 |
1.3 |
0.753 |
5 |
1 |
0 |
0.000 |
11 |
13 |
|
[CL]I:303 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
17 |
7 |
11524 |
76.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.071 |
12 |
14 |
|
[CL]I:302 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
13 |
6 |
11524 |
70.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.071 |
13 |
15 |
|
[CL]M:307 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
5 |
11319 |
68.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.074 |
14 |
16 |
|
[CL]I:301 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
11524 |
67.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.058 |
15 |
17 |
|
[CL]I:304 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
13 |
7 |
11524 |
64.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.054 |
16 |
18 |
|
[AZI]M:301 |
3 |
1 |
159 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11239 |
62.6 |
1.0 |
0.531 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[AZI]M:301 |
3 |
1 |
159 |
f |
M |
x,y,z |
1_555 |
11 |
4 |
11319 |
61.3 |
0.5 |
0.322 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[CL]L:302 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
11239 |
59.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.117 |
21 |
|
[CL]M:304 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
7 |
3 |
11319 |
58.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
59.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.117 |
19 |
22 |
|
[CL]M:308 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
4 |
11319 |
59.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.111 |
23 |
|
[CL]L:304 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11239 |
57.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
58.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.111 |
20 |
24 |
|
[CL]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
11303 |
59.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.114 |
21 |
25 |
|
[CL]M:305 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
10 |
3 |
11319 |
57.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
26 |
|
[CL]M:306 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
12 |
5 |
11319 |
57.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.044 |
23 |
27 |
|
[CL]M:309 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
10 |
5 |
11319 |
56.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.051 |
24 |
28 |
|
L |
7 |
2 |
11239 |
x |
L |
x-1,y,z |
1_455 |
5 |
2 |
11239 |
55.3 |
1.0 |
0.824 |
0 |
2 |
0 |
0.000 |
25 |
29 |
|
[CL]H:301 |
1 |
1 |
125 |
f |
I |
-x+1/2,-y-1,z-1/2 |
2_544 |
9 |
4 |
11524 |
54.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.051 |
26 |
30 |
|
[CL]M:303 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
11524 |
53.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.036 |
27 |
31 |
|
[CL]L:303 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
11239 |
52.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.097 |
28 |
32 |
|
[CL]L:301 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
11239 |
50.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.093 |
33 |
|
[CL]M:302 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
8 |
3 |
11319 |
50.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
50.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.093 |
29 |
34 |
|
[CL]M:303 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
7 |
4 |
11319 |
47.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.038 |
30 |
35 |
|
H |
11 |
4 |
11303 |
◊ |
[CL]M:306 |
-x+1,y-1/2,-z+1/2 |
4_645 |
1 |
1 |
125 |
46.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[CL]L:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
11303 |
46.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.082 |
37 |
|
[CL]M:302 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
11524 |
44.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
45.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.082 |
32 |
38 |
|
M |
7 |
4 |
11319 |
◊ |
[CL]M:309 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
41.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[CL]H:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
11303 |
29.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[CL]L:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11303 |
25.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
41 |
|
[CL]M:304 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11524 |
25.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
25.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.042 |
35 |
42 |
|
L |
2 |
1 |
11239 |
◊ |
M |
-x+1,y-1/2,-z+1/2 |
4_645 |
2 |
1 |
11319 |
11.5 |
-0.4 |
0.327 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[CL]H:301 |
1 |
1 |
125 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
4_645 |
3 |
2 |
11524 |
11.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
H |
2 |
1 |
11303 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
11319 |
9.0 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
H |
1 |
1 |
11303 |
◊ |
M |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
1 |
11319 |
7.3 |
0.5 |
0.857 |
0 |
0 |
0 |
0.000 |
|