## |
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 |
94 |
11 |
2733 |
◊ |
A |
x,y,z |
1_555 |
92 |
10 |
2977 |
770.9 |
4.7 |
0.960 |
32 |
0 |
0 |
0.021 |
2 |
2 |
|
[PYN]A:8001 |
29 |
1 |
757 |
f |
A |
x,y,z |
1_555 |
47 |
5 |
2977 |
302.0 |
2.3 |
0.391 |
1 |
0 |
0 |
0.000 |
3 |
3 |
|
[PYN]A:8001 |
29 |
1 |
757 |
◊ |
B |
x,y,z |
1_555 |
29 |
2 |
2733 |
197.8 |
4.6 |
0.216 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
14 |
3 |
2733 |
◊ |
B |
-x+1,-y,z |
2_655 |
15 |
3 |
2733 |
138.3 |
-4.7 |
0.357 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
14 |
1 |
2977 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
14 |
1 |
2977 |
96.9 |
-1.1 |
0.603 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
12 |
1 |
2977 |
x |
A |
x,y,z-1 |
1_554 |
16 |
3 |
2977 |
91.4 |
-2.3 |
0.504 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
15 |
3 |
2733 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
10 |
2 |
2977 |
90.6 |
-0.7 |
0.596 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
13 |
4 |
2733 |
◊ |
[PYN]A:8001 |
-x+1/2,y-1/2,-z+1 |
3_546 |
7 |
1 |
757 |
89.0 |
-0.3 |
0.366 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[K]B:6013 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
2733 |
81.8 |
-55.4 |
0.000 |
0 |
0 |
0 |
0.123 |
10 |
10 |
|
[K]A:6016 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
2733 |
81.2 |
-40.7 |
0.000 |
0 |
0 |
0 |
0.177 |
11 |
|
[K]A:6014 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
2977 |
75.5 |
-39.2 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
78.3 |
-39.9 |
0.000 |
0 |
0 |
0 |
0.177 |
11 |
12 |
|
[K]A:6015 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
2733 |
78.5 |
-40.9 |
0.000 |
0 |
0 |
0 |
0.180 |
13 |
|
[K]A:6015 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
2977 |
76.5 |
-40.7 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
77.5 |
-40.8 |
0.000 |
0 |
0 |
0 |
0.180 |
12 |
14 |
|
[K]A:6016 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
2977 |
75.2 |
-43.4 |
0.000 |
0 |
0 |
0 |
0.187 |
15 |
|
[K]A:6014 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
2733 |
74.8 |
-41.2 |
0.000 |
0 |
0 |
0 |
0.187 |
Average: |
75.0 |
-42.3 |
0.000 |
0 |
0 |
0 |
0.187 |
13 |
16 |
|
[K]B:6013 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
2977 |
71.9 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.070 |
14 |
17 |
|
B |
9 |
4 |
2733 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
7 |
3 |
2977 |
55.2 |
-2.0 |
0.390 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
6 |
2 |
2733 |
◊ |
A |
-x+1,-y,z |
2_655 |
3 |
1 |
2977 |
40.8 |
-1.1 |
0.433 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[K]B:6013 |
1 |
1 |
216 |
f |
[K]A:6014 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.0 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.071 |
17 |
20 |
|
[PYN]A:8001 |
3 |
1 |
757 |
◊ |
[PYN]A:8001 |
-x+1,-y+1,z |
2_665 |
3 |
1 |
757 |
28.5 |
-0.9 |
0.126 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[K]A:6016 |
1 |
1 |
216 |
◊ |
[K]A:6015 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.5 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.063 |
19 |
22 |
|
[K]A:6015 |
1 |
1 |
216 |
◊ |
[K]A:6014 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.3 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.063 |
20 |
23 |
|
[K]A:6016 |
1 |
1 |
216 |
f |
[PYN]A:8001 |
x,y,z |
1_555 |
7 |
1 |
757 |
27.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.019 |
21 |
24 |
|
B |
3 |
1 |
2733 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
2733 |
27.1 |
-2.5 |
0.275 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
B |
3 |
1 |
2733 |
x |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
3 |
1 |
2733 |
21.0 |
-0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
A |
3 |
1 |
2977 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
2733 |
20.0 |
-1.7 |
0.359 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
A |
2 |
1 |
2977 |
x |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
4 |
1 |
2977 |
19.6 |
0.7 |
0.671 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[K]B:6013 |
1 |
1 |
216 |
◊ |
[K]A:6015 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
29 |
|
[K]A:6016 |
1 |
1 |
216 |
◊ |
[K]A:6014 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.019 |
|