## |
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 |
|
D |
348 |
91 |
15102 |
◊ |
C |
x,y,z |
1_555 |
343 |
89 |
14749 |
3280.8 |
-25.3 |
0.282 |
38 |
11 |
0 |
0.384 |
2 |
2 |
|
D |
49 |
14 |
15102 |
◊ |
D |
-x,y,-z |
2_555 |
49 |
14 |
15102 |
472.3 |
-5.1 |
0.241 |
4 |
10 |
0 |
0.000 |
3 |
|
C |
49 |
14 |
14749 |
◊ |
C |
-x,y,-z |
2_555 |
49 |
14 |
14749 |
471.8 |
-4.7 |
0.341 |
4 |
12 |
0 |
0.000 |
Average: |
472.0 |
-4.9 |
0.291 |
4 |
11 |
0 |
0.000 |
3 |
4 |
|
D |
31 |
10 |
15102 |
x |
D |
x-1/2,-y,-z-1/2 |
4_454 |
35 |
11 |
15102 |
285.2 |
4.5 |
0.916 |
5 |
7 |
0 |
0.000 |
4 |
5 |
|
C |
35 |
11 |
14749 |
◊ |
D |
x,y-1,z |
1_545 |
36 |
11 |
15102 |
281.6 |
0.7 |
0.767 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
[PEG]D:404 |
7 |
1 |
262 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
15102 |
142.1 |
3.6 |
0.419 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]D:408 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
15102 |
95.0 |
2.8 |
0.305 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]C:409 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
14749 |
94.6 |
2.3 |
0.447 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[PEG]D:406 |
5 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
15 |
3 |
15102 |
87.8 |
1.4 |
0.306 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[PEG]C:406 |
6 |
1 |
259 |
◊ |
C |
-x,y,-z |
2_555 |
15 |
3 |
14749 |
86.5 |
1.6 |
0.286 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[PEG]D:406 |
6 |
1 |
260 |
◊ |
D |
-x,y,-z |
2_555 |
12 |
3 |
15102 |
81.0 |
2.8 |
0.394 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]D:409 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
15102 |
78.8 |
2.1 |
0.269 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]C:408 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
14749 |
78.1 |
2.6 |
0.311 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[PEG]C:406 |
5 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
14749 |
77.4 |
1.8 |
0.339 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
15102 |
73.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.196 |
16 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
14749 |
73.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.196 |
Average: |
73.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.196 |
15 |
17 |
|
C |
6 |
2 |
14749 |
◊ |
D |
x-1/2,-y,-z-1/2 |
4_454 |
8 |
3 |
15102 |
73.3 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
14749 |
72.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.207 |
19 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
15102 |
72.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.207 |
Average: |
72.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.207 |
17 |
20 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14749 |
64.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.077 |
18 |
21 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
15102 |
63.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.105 |
22 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
14749 |
62.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
62.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.105 |
19 |
23 |
|
[PEG]D:406 |
7 |
1 |
260 |
◊ |
[PEG]D:405 |
-x,y,-z |
2_555 |
6 |
1 |
260 |
62.2 |
2.3 |
0.067 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
C |
8 |
3 |
14749 |
◊ |
[EDO]D:409 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
61.7 |
1.9 |
0.860 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
14749 |
52.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.063 |
22 |
26 |
|
D |
7 |
2 |
15102 |
◊ |
C |
-x,y,-z |
2_555 |
7 |
2 |
14749 |
45.0 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[PEG]D:405 |
4 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
15102 |
41.7 |
0.0 |
0.193 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[CL]C:405 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15102 |
34.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.036 |
25 |
29 |
|
D |
3 |
2 |
15102 |
◊ |
C |
x-1/2,-y,-z-1/2 |
4_454 |
7 |
4 |
14749 |
34.0 |
1.0 |
0.848 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[CL]C:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15102 |
31.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
31 |
|
[PEG]D:405 |
3 |
1 |
260 |
◊ |
D |
-x,y,-z |
2_555 |
3 |
1 |
15102 |
30.8 |
0.2 |
0.196 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
C |
3 |
2 |
14749 |
x |
C |
x-1/2,-y-1,-z-1/2 |
4_444 |
3 |
2 |
14749 |
13.4 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
[CL]C:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
34 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
[CL]D:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
31 |
35 |
|
[EDO]D:408 |
1 |
1 |
185 |
f |
[CL]C:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|