## |
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 |
196 |
50 |
13675 |
◊ |
A |
x,y,z |
1_555 |
194 |
52 |
13648 |
1874.9 |
-33.5 |
0.042 |
9 |
0 |
0 |
0.731 |
2 |
|
D |
186 |
49 |
13258 |
◊ |
C |
x,y,z |
1_555 |
189 |
49 |
13044 |
1830.0 |
-32.5 |
0.036 |
11 |
0 |
0 |
0.731 |
Average: |
1852.5 |
-33.0 |
0.039 |
10 |
0 |
0 |
0.731 |
2 |
3 |
|
C |
171 |
43 |
13044 |
◊ |
A |
x,y,z |
1_555 |
166 |
41 |
13648 |
1566.1 |
-26.8 |
0.096 |
11 |
2 |
0 |
0.644 |
4 |
|
D |
171 |
44 |
13258 |
◊ |
B |
x,y,z |
1_555 |
165 |
43 |
13675 |
1563.0 |
-27.6 |
0.079 |
11 |
1 |
0 |
0.644 |
Average: |
1564.6 |
-27.2 |
0.087 |
11 |
2 |
0 |
0.644 |
3 |
5 |
|
A |
86 |
30 |
13648 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
98 |
31 |
13675 |
833.5 |
-9.5 |
0.483 |
1 |
2 |
0 |
0.089 |
4 |
6 |
|
C |
58 |
13 |
13044 |
◊ |
B |
x,y,z |
1_555 |
60 |
13 |
13675 |
583.3 |
-2.4 |
0.744 |
10 |
0 |
0 |
0.073 |
7 |
|
D |
61 |
14 |
13258 |
◊ |
A |
x,y,z |
1_555 |
60 |
13 |
13648 |
537.2 |
-2.1 |
0.774 |
10 |
0 |
0 |
0.073 |
Average: |
560.3 |
-2.2 |
0.759 |
10 |
0 |
0 |
0.073 |
5 |
8 |
|
[NDP]D:1289 |
46 |
1 |
884 |
f |
D |
x,y,z |
1_555 |
87 |
34 |
13258 |
579.9 |
-0.4 |
0.761 |
18 |
0 |
0 |
0.322 |
9 |
|
[NDP]C:1289 |
46 |
1 |
882 |
f |
C |
x,y,z |
1_555 |
88 |
34 |
13044 |
579.4 |
0.2 |
0.768 |
18 |
0 |
0 |
0.322 |
10 |
|
[NDP]B:1289 |
46 |
1 |
884 |
f |
B |
x,y,z |
1_555 |
86 |
32 |
13675 |
574.7 |
0.1 |
0.784 |
18 |
0 |
0 |
0.322 |
11 |
|
[NDP]A:1289 |
46 |
1 |
887 |
f |
A |
x,y,z |
1_555 |
86 |
33 |
13648 |
565.3 |
0.2 |
0.776 |
19 |
0 |
0 |
0.322 |
Average: |
574.8 |
0.0 |
0.772 |
18 |
0 |
0 |
0.322 |
6 |
12 |
|
[CB3]D:1290 |
34 |
1 |
741 |
f |
D |
x,y,z |
1_555 |
55 |
19 |
13258 |
406.5 |
-1.0 |
0.456 |
6 |
0 |
0 |
0.136 |
13 |
|
[CB3]C:1290 |
33 |
1 |
742 |
f |
C |
x,y,z |
1_555 |
46 |
20 |
13044 |
381.7 |
-1.0 |
0.421 |
7 |
0 |
0 |
0.136 |
Average: |
394.1 |
-1.0 |
0.438 |
7 |
0 |
0 |
0.136 |
7 |
14 |
|
[CB3]B:1290 |
32 |
1 |
747 |
f |
B |
x,y,z |
1_555 |
52 |
19 |
13675 |
399.8 |
-0.8 |
0.489 |
6 |
0 |
0 |
0.068 |
8 |
15 |
|
[CB3]A:1290 |
33 |
1 |
751 |
f |
A |
x,y,z |
1_555 |
53 |
20 |
13648 |
391.2 |
-1.3 |
0.434 |
5 |
0 |
0 |
0.068 |
9 |
16 |
|
A |
30 |
8 |
13648 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
32 |
11 |
13258 |
273.5 |
-3.0 |
0.518 |
2 |
0 |
0 |
0.000 |
10 |
17 |
|
A |
29 |
10 |
13648 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
9 |
13044 |
202.2 |
-4.3 |
0.313 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[CB3]B:1290 |
13 |
1 |
747 |
f |
[NDP]B:1289 |
x,y,z |
1_555 |
17 |
1 |
884 |
126.2 |
0.1 |
0.468 |
1 |
0 |
0 |
0.007 |
12 |
19 |
|
[CB3]D:1290 |
13 |
1 |
741 |
f |
[NDP]D:1289 |
x,y,z |
1_555 |
17 |
1 |
884 |
123.8 |
0.0 |
0.473 |
1 |
0 |
0 |
0.014 |
20 |
|
[CB3]C:1290 |
13 |
1 |
742 |
f |
[NDP]C:1289 |
x,y,z |
1_555 |
17 |
1 |
882 |
123.7 |
0.1 |
0.471 |
1 |
0 |
0 |
0.014 |
Average: |
123.7 |
0.0 |
0.472 |
1 |
0 |
0 |
0.014 |
13 |
21 |
|
[CB3]A:1290 |
13 |
1 |
751 |
f |
[NDP]A:1289 |
x,y,z |
1_555 |
18 |
1 |
887 |
122.2 |
0.1 |
0.472 |
1 |
0 |
0 |
0.007 |
14 |
22 |
|
[CB3]C:1290 |
11 |
1 |
742 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
13675 |
101.3 |
0.3 |
0.499 |
1 |
0 |
0 |
0.002 |
23 |
|
[CB3]D:1290 |
10 |
1 |
741 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
13648 |
91.8 |
0.3 |
0.530 |
1 |
0 |
0 |
0.002 |
Average: |
96.5 |
0.3 |
0.514 |
1 |
0 |
0 |
0.002 |
15 |
24 |
|
[CB3]A:1290 |
9 |
1 |
751 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
13258 |
86.8 |
0.3 |
0.499 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]D:1291 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
13258 |
86.6 |
2.0 |
0.469 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]A:1291 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
13648 |
85.8 |
1.9 |
0.481 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[CB3]B:1290 |
8 |
1 |
747 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
13044 |
84.5 |
0.7 |
0.601 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]D:1292 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
13258 |
77.6 |
2.1 |
0.436 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]B:1291 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13675 |
77.3 |
2.2 |
0.467 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]A:1293 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
13648 |
73.1 |
2.1 |
0.482 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]B:1291 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13648 |
71.1 |
1.6 |
0.258 |
2 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]A:1292 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13648 |
70.8 |
2.5 |
0.323 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[EDO]A:1292 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13675 |
70.2 |
2.2 |
0.321 |
2 |
0 |
0 |
0.000 |
25 |
34 |
|
[EDO]D:1292 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13044 |
70.0 |
1.6 |
0.264 |
2 |
0 |
0 |
0.000 |
26 |
35 |
|
[EDO]A:1293 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13675 |
53.7 |
1.6 |
0.293 |
1 |
0 |
0 |
0.000 |
27 |
36 |
|
C |
6 |
2 |
13044 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
13675 |
51.1 |
-0.9 |
0.405 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[EDO]A:1291 |
3 |
1 |
183 |
◊ |
[CB3]A:1290 |
x,y,z |
1_555 |
7 |
1 |
751 |
47.0 |
1.6 |
0.254 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[EDO]D:1291 |
4 |
1 |
181 |
f |
[CB3]D:1290 |
x,y,z |
1_555 |
5 |
1 |
741 |
43.4 |
1.5 |
0.728 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[EDO]A:1291 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
13258 |
28.3 |
1.0 |
0.982 |
3 |
0 |
0 |
0.006 |
31 |
40 |
|
[EDO]D:1291 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13648 |
27.8 |
1.0 |
0.983 |
1 |
0 |
0 |
0.000 |
32 |
41 |
|
D |
3 |
1 |
13258 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
13044 |
27.6 |
1.0 |
0.903 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
[NDP]A:1289 |
6 |
1 |
887 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
13675 |
25.0 |
0.6 |
0.721 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
2 |
1 |
13648 |
◊ |
[NDP]B:1289 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
884 |
15.6 |
0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
Average: |
20.3 |
0.5 |
0.728 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[EDO]A:1293 |
4 |
1 |
185 |
f |
[EDO]A:1292 |
x,y,z |
1_555 |
2 |
1 |
182 |
18.6 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[CB3]D:1290 |
2 |
1 |
741 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13044 |
15.1 |
-0.3 |
0.265 |
0 |
0 |
0 |
0.010 |
46 |
|
[CB3]C:1290 |
3 |
1 |
742 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13258 |
14.2 |
-0.3 |
0.271 |
0 |
0 |
0 |
0.010 |
Average: |
14.7 |
-0.3 |
0.268 |
0 |
0 |
0 |
0.010 |
36 |
47 |
|
[EDO]A:1291 |
3 |
1 |
183 |
◊ |
[NDP]A:1289 |
x,y,z |
1_555 |
2 |
1 |
887 |
9.2 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
[EDO]D:1291 |
4 |
1 |
181 |
f |
[NDP]D:1289 |
x,y,z |
1_555 |
2 |
1 |
884 |
7.1 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
|