| ## |
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 |
108 |
28 |
16546 |
◊ |
A |
x,y,z |
1_555 |
103 |
26 |
16594 |
990.0 |
-12.5 |
0.044 |
12 |
1 |
0 |
1.000 |
2 |
|
D |
91 |
24 |
16655 |
◊ |
C |
x,y,z |
1_555 |
100 |
25 |
16452 |
948.6 |
-17.9 |
0.004 |
7 |
0 |
0 |
1.000 |
| Average: |
969.3 |
-15.2 |
0.024 |
10 |
1 |
0 |
1.000 |
| 2 |
3 |
|
D |
81 |
22 |
16655 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
83 |
26 |
16452 |
760.8 |
2.2 |
0.776 |
11 |
7 |
0 |
0.000 |
| 3 |
4 |
|
D |
79 |
25 |
16655 |
◊ |
A |
x,y,z |
1_555 |
83 |
27 |
16594 |
751.2 |
-0.5 |
0.610 |
14 |
3 |
0 |
0.128 |
| 4 |
5 |
|
D |
58 |
21 |
16655 |
◊ |
B |
x,y,z |
1_555 |
65 |
21 |
16546 |
600.8 |
-10.0 |
0.033 |
2 |
1 |
0 |
0.387 |
6 |
|
C |
67 |
23 |
16452 |
◊ |
A |
x,y,z |
1_555 |
64 |
19 |
16594 |
594.5 |
-9.8 |
0.039 |
2 |
0 |
0 |
0.387 |
| Average: |
597.6 |
-9.9 |
0.036 |
2 |
1 |
0 |
0.387 |
| 5 |
7 |
|
C |
52 |
17 |
16452 |
◊ |
B |
x,y,z |
1_555 |
52 |
15 |
16546 |
486.1 |
1.2 |
0.719 |
4 |
2 |
0 |
0.015 |
| 6 |
8 |
|
A |
41 |
12 |
16594 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
49 |
17 |
16594 |
396.7 |
0.7 |
0.675 |
2 |
2 |
0 |
0.000 |
| 7 |
9 |
|
C |
37 |
11 |
16452 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
12 |
16546 |
302.2 |
-0.7 |
0.525 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
39 |
14 |
16546 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
9 |
16452 |
295.5 |
-2.5 |
0.307 |
4 |
1 |
0 |
0.000 |
| 9 |
11 |
|
A |
33 |
11 |
16594 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
9 |
16546 |
278.8 |
2.1 |
0.718 |
3 |
1 |
0 |
0.000 |
| 10 |
12 |
|
[UDP]A:505 |
24 |
1 |
485 |
f |
A |
x,y,z |
1_555 |
32 |
12 |
16594 |
277.3 |
-4.6 |
0.456 |
9 |
0 |
0 |
0.467 |
| 11 |
13 |
|
C |
35 |
12 |
16452 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
7 |
16594 |
265.6 |
-0.0 |
0.521 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
D |
32 |
13 |
16655 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
26 |
8 |
16594 |
246.7 |
2.1 |
0.809 |
3 |
4 |
0 |
0.000 |
| 13 |
15 |
|
A |
22 |
11 |
16594 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
20 |
7 |
16655 |
202.2 |
1.7 |
0.726 |
4 |
6 |
0 |
0.000 |
| 14 |
16 |
|
C |
18 |
6 |
16452 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
8 |
16452 |
138.7 |
0.7 |
0.692 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]A:501 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
16594 |
119.7 |
2.9 |
0.360 |
5 |
0 |
0 |
0.000 |
| 16 |
18 |
|
D |
15 |
9 |
16655 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
11 |
16546 |
115.4 |
1.2 |
0.746 |
0 |
2 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]B:504 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
16546 |
106.9 |
3.2 |
0.424 |
3 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]C:505 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
16452 |
99.7 |
4.2 |
0.661 |
4 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]D:502 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
16655 |
97.2 |
2.7 |
0.414 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16546 |
87.8 |
2.4 |
0.269 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]A:502 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16594 |
85.1 |
2.8 |
0.299 |
2 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[EDO]B:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
16546 |
82.9 |
2.4 |
0.263 |
2 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]A:504 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
16594 |
82.0 |
2.8 |
0.311 |
2 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[EDO]C:503 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
16452 |
76.9 |
2.8 |
0.290 |
1 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]C:504 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
16452 |
76.3 |
2.1 |
0.241 |
2 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[EDO]D:505 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
16655 |
75.3 |
0.6 |
0.386 |
4 |
0 |
0 |
0.097 |
| 27 |
29 |
|
[EDO]B:501 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16452 |
75.0 |
1.9 |
0.218 |
2 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[ACT]D:501 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
14 |
3 |
16655 |
72.4 |
-0.8 |
0.580 |
0 |
0 |
0 |
0.063 |
| 29 |
31 |
|
[EDO]D:503 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16655 |
72.2 |
1.6 |
0.694 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
16594 |
71.9 |
1.4 |
0.650 |
2 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[EDO]C:502 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
16452 |
71.6 |
1.3 |
0.643 |
2 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[ACT]C:501 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
16452 |
66.0 |
0.8 |
0.812 |
2 |
0 |
0 |
0.000 |
| 33 |
35 |
|
A |
13 |
3 |
16594 |
◊ |
[EDO]D:503 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
185 |
64.6 |
2.1 |
0.868 |
1 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
16655 |
57.2 |
1.6 |
0.698 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[EDO]B:501 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
16546 |
50.8 |
1.0 |
0.676 |
1 |
0 |
0 |
0.000 |
| 36 |
38 |
|
A |
7 |
3 |
16594 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
16546 |
47.9 |
0.4 |
0.683 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[ACT]D:501 |
3 |
1 |
182 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
16594 |
26.3 |
0.4 |
0.808 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[ACT]C:501 |
2 |
1 |
181 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
16594 |
23.9 |
-0.7 |
0.261 |
0 |
0 |
0 |
0.037 |
| 39 |
41 |
|
[EDO]A:504 |
2 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
16655 |
16.5 |
0.4 |
0.935 |
1 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]C:504 |
1 |
1 |
185 |
f |
[EDO]B:501 |
x,y,z |
1_555 |
2 |
1 |
185 |
7.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[EDO]A:503 |
1 |
1 |
185 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
16655 |
3.0 |
0.1 |
0.858 |
0 |
0 |
0 |
0.000 |
|