## |
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 |
|
C |
101 |
26 |
16848 |
◊ |
A |
x,y,z |
1_555 |
102 |
28 |
16988 |
957.7 |
-12.9 |
0.030 |
11 |
1 |
0 |
0.878 |
2 |
|
D |
95 |
24 |
16836 |
◊ |
B |
x,y,z |
1_555 |
89 |
22 |
17070 |
925.8 |
-13.6 |
0.020 |
8 |
1 |
0 |
0.878 |
Average: |
941.7 |
-13.2 |
0.025 |
10 |
1 |
0 |
0.878 |
2 |
3 |
|
B |
84 |
26 |
17070 |
◊ |
A |
x,y,z |
1_555 |
82 |
25 |
16988 |
746.2 |
-0.1 |
0.628 |
10 |
1 |
0 |
0.068 |
4 |
|
D |
51 |
17 |
16836 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
16848 |
452.4 |
1.6 |
0.723 |
2 |
2 |
0 |
0.068 |
Average: |
599.3 |
0.7 |
0.675 |
6 |
2 |
0 |
0.068 |
3 |
5 |
|
D |
86 |
26 |
16836 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
73 |
21 |
17070 |
697.8 |
-0.1 |
0.600 |
9 |
6 |
0 |
0.000 |
4 |
6 |
|
C |
65 |
21 |
16848 |
◊ |
B |
x,y,z |
1_555 |
60 |
18 |
17070 |
599.1 |
-9.7 |
0.033 |
3 |
2 |
0 |
0.369 |
7 |
|
D |
61 |
22 |
16836 |
◊ |
A |
x,y,z |
1_555 |
58 |
18 |
16988 |
598.0 |
-10.9 |
0.015 |
2 |
3 |
0 |
0.369 |
Average: |
598.5 |
-10.3 |
0.024 |
3 |
3 |
0 |
0.369 |
5 |
8 |
|
A |
50 |
16 |
16988 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
38 |
11 |
16988 |
372.1 |
2.2 |
0.731 |
6 |
0 |
0 |
0.000 |
6 |
9 |
|
[UTP]B:503 |
27 |
1 |
556 |
f |
B |
x,y,z |
1_555 |
40 |
14 |
17070 |
304.0 |
-0.8 |
0.556 |
10 |
0 |
0 |
0.384 |
7 |
10 |
|
[UTP]A:506 |
24 |
1 |
537 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
16988 |
297.2 |
-0.0 |
0.754 |
9 |
0 |
0 |
0.197 |
8 |
11 |
|
D |
32 |
8 |
16836 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
14 |
16848 |
296.9 |
-1.7 |
0.354 |
4 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
29 |
9 |
16848 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
11 |
16988 |
277.6 |
3.2 |
0.864 |
5 |
1 |
0 |
0.000 |
10 |
13 |
|
A |
22 |
6 |
16988 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
26 |
11 |
16836 |
237.4 |
2.3 |
0.826 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
C |
28 |
8 |
16848 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
8 |
16836 |
234.0 |
-0.5 |
0.510 |
2 |
1 |
0 |
0.000 |
12 |
15 |
|
A |
26 |
8 |
16988 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
27 |
12 |
17070 |
205.8 |
3.2 |
0.882 |
2 |
3 |
0 |
0.000 |
13 |
16 |
|
B |
21 |
7 |
17070 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
22 |
11 |
16988 |
193.0 |
2.1 |
0.726 |
2 |
6 |
0 |
0.000 |
14 |
17 |
|
D |
18 |
8 |
16836 |
x |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
6 |
16836 |
133.4 |
1.0 |
0.727 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
17070 |
119.4 |
4.4 |
0.707 |
4 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
16988 |
106.9 |
3.2 |
0.415 |
4 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]D:501 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
16836 |
106.2 |
3.4 |
0.495 |
4 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]C:502 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
16848 |
102.9 |
2.3 |
0.401 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
[ACT]A:504 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16988 |
100.0 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[ACT]C:506 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
16848 |
97.2 |
-0.8 |
0.503 |
0 |
0 |
0 |
0.038 |
21 |
24 |
|
[EDO]D:502 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
16836 |
97.0 |
2.8 |
0.424 |
4 |
0 |
0 |
0.000 |
22 |
25 |
|
C |
17 |
7 |
16848 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
17070 |
95.9 |
1.3 |
0.767 |
0 |
1 |
0 |
0.000 |
23 |
26 |
|
[EDO]C:505 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16848 |
88.0 |
2.2 |
0.260 |
4 |
0 |
0 |
0.000 |
24 |
27 |
|
[ACT]D:505 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
16836 |
83.6 |
-1.4 |
0.514 |
1 |
0 |
0 |
0.169 |
25 |
28 |
|
[ACT]A:505 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16988 |
77.7 |
-1.1 |
0.368 |
0 |
0 |
0 |
0.054 |
26 |
29 |
|
[ACT]B:502 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
17070 |
77.5 |
0.3 |
0.713 |
1 |
0 |
0 |
0.002 |
27 |
30 |
|
[EDO]C:501 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
16848 |
76.0 |
1.7 |
0.237 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]A:501 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
16988 |
74.7 |
1.8 |
0.237 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
[EDO]C:503 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
16848 |
74.4 |
2.6 |
0.493 |
2 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]C:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
16848 |
73.3 |
1.3 |
0.587 |
2 |
0 |
0 |
0.000 |
31 |
34 |
|
[EDO]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
16836 |
69.9 |
0.9 |
0.639 |
3 |
0 |
0 |
0.039 |
32 |
35 |
|
[EDO]A:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16988 |
69.2 |
1.1 |
0.650 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
[ACT]D:504 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
16836 |
67.7 |
-0.3 |
0.592 |
2 |
0 |
0 |
0.106 |
34 |
37 |
|
[ACT]B:502 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16988 |
63.1 |
-0.2 |
0.695 |
1 |
0 |
0 |
0.030 |
35 |
38 |
|
[ACT]D:504 |
4 |
1 |
181 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
16848 |
61.2 |
-0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
16836 |
60.0 |
0.5 |
0.567 |
2 |
0 |
0 |
0.032 |
37 |
40 |
|
[EDO]A:501 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17070 |
53.3 |
0.8 |
0.458 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[ACT]D:505 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
17070 |
51.0 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[EDO]D:502 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
16988 |
49.6 |
1.2 |
0.771 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[UTP]A:506 |
7 |
1 |
537 |
f |
[ACT]A:504 |
x,y,z |
1_555 |
4 |
1 |
181 |
33.3 |
-1.0 |
0.606 |
0 |
0 |
0 |
0.051 |
41 |
44 |
|
[EDO]C:503 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17070 |
29.4 |
-0.1 |
0.312 |
0 |
0 |
0 |
0.003 |
42 |
45 |
|
[EDO]C:501 |
2 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
4 |
2 |
17070 |
27.6 |
1.0 |
0.900 |
1 |
0 |
0 |
0.000 |
43 |
46 |
|
[EDO]A:503 |
2 |
1 |
185 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
3 |
1 |
185 |
25.2 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
44 |
47 |
|
C |
4 |
2 |
16848 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
16988 |
24.8 |
0.5 |
0.761 |
1 |
1 |
0 |
0.000 |
45 |
48 |
|
[UTP]A:506 |
1 |
1 |
537 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16836 |
2.0 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
|