## |
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 |
184 |
47 |
14392 |
◊ |
A |
x,y,z |
1_555 |
174 |
48 |
13239 |
1752.9 |
-27.1 |
0.021 |
18 |
2 |
0 |
1.000 |
2 |
|
D |
179 |
45 |
14278 |
◊ |
C |
x,y,z |
1_555 |
167 |
46 |
12912 |
1709.4 |
-24.3 |
0.039 |
16 |
2 |
0 |
1.000 |
Average: |
1731.2 |
-25.7 |
0.030 |
17 |
2 |
0 |
1.000 |
2 |
3 |
|
D |
101 |
33 |
14278 |
◊ |
B |
x-1,y+1,z |
1_465 |
94 |
25 |
14392 |
842.2 |
-2.3 |
0.737 |
4 |
2 |
0 |
0.000 |
4 |
|
B |
99 |
32 |
14392 |
◊ |
D |
x,y-1,z |
1_545 |
88 |
24 |
14278 |
807.9 |
-1.7 |
0.777 |
7 |
4 |
0 |
0.000 |
Average: |
825.0 |
-2.0 |
0.757 |
6 |
3 |
0 |
0.000 |
3 |
5 |
|
A |
59 |
18 |
13239 |
◊ |
D |
x,y-1,z |
1_545 |
53 |
17 |
14278 |
551.5 |
-1.8 |
0.618 |
5 |
1 |
0 |
0.000 |
6 |
|
C |
39 |
15 |
12912 |
◊ |
B |
x-1,y+1,z |
1_465 |
32 |
11 |
14392 |
363.9 |
-2.8 |
0.445 |
3 |
1 |
0 |
0.000 |
Average: |
457.7 |
-2.3 |
0.532 |
4 |
1 |
0 |
0.000 |
4 |
7 |
|
B |
30 |
8 |
14392 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
32 |
10 |
12912 |
234.6 |
-1.6 |
0.550 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
31 |
10 |
13239 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
31 |
9 |
14278 |
222.4 |
-2.3 |
0.472 |
1 |
0 |
0 |
0.000 |
Average: |
228.5 |
-2.0 |
0.511 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
[DMD]C:801 |
11 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
12912 |
164.6 |
2.2 |
0.090 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[DMD]A:801 |
11 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
13239 |
163.6 |
2.4 |
0.102 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
11 |
3 |
12912 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
3 |
14392 |
103.5 |
0.5 |
0.747 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
13 |
4 |
14278 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13239 |
96.6 |
0.4 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
100.0 |
0.4 |
0.742 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[EDO]C:803 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
12912 |
102.3 |
4.1 |
0.708 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
[EDO]D:402 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
14278 |
101.7 |
2.8 |
0.456 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]D:403 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
14278 |
101.4 |
3.7 |
0.489 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]B:402 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
14392 |
101.3 |
3.6 |
0.480 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]A:802 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
13239 |
99.8 |
2.8 |
0.467 |
5 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]C:802 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
12912 |
99.6 |
2.8 |
0.468 |
5 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]B:404 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14392 |
92.3 |
2.1 |
0.251 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
[DMD]C:801 |
11 |
1 |
315 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
14278 |
91.5 |
1.7 |
0.091 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[DMD]A:801 |
11 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
14392 |
90.0 |
1.7 |
0.084 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]B:405 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
14392 |
87.3 |
1.7 |
0.263 |
4 |
0 |
0 |
0.009 |
23 |
|
[EDO]D:404 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
14278 |
86.9 |
1.7 |
0.267 |
4 |
0 |
0 |
0.009 |
Average: |
87.1 |
1.7 |
0.265 |
4 |
0 |
0 |
0.009 |
18 |
24 |
|
[EDO]D:405 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
14278 |
76.0 |
2.2 |
0.280 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]D:405 |
4 |
1 |
181 |
◊ |
B |
x-1,y+1,z |
1_465 |
11 |
4 |
14392 |
75.0 |
2.3 |
0.300 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]B:403 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14392 |
60.3 |
1.7 |
0.273 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]B:401 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13239 |
50.4 |
1.4 |
0.812 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]D:401 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12912 |
49.6 |
1.4 |
0.810 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]B:401 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
14392 |
47.3 |
0.7 |
0.784 |
2 |
0 |
0 |
0.010 |
24 |
30 |
|
[EDO]D:401 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
14278 |
46.7 |
0.6 |
0.770 |
2 |
0 |
0 |
0.024 |
25 |
31 |
|
D |
7 |
1 |
14278 |
f |
[EDO]B:403 |
x-1,y+1,z |
1_465 |
4 |
1 |
182 |
46.2 |
1.3 |
0.756 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]B:405 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13239 |
41.2 |
1.4 |
0.280 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]D:404 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
12912 |
41.2 |
1.4 |
0.281 |
0 |
0 |
0 |
0.000 |
Average: |
41.2 |
1.4 |
0.281 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
A |
4 |
2 |
13239 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
13239 |
29.5 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
2 |
2 |
12912 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
4 |
2 |
12912 |
8.7 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
Average: |
19.1 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]D:404 |
3 |
1 |
185 |
f |
[EDO]D:401 |
x,y,z |
1_555 |
2 |
1 |
184 |
29.5 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[EDO]B:405 |
3 |
1 |
187 |
f |
[EDO]B:401 |
x,y,z |
1_555 |
2 |
1 |
185 |
29.3 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
A |
1 |
1 |
13239 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
14392 |
21.6 |
0.0 |
0.325 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[EDO]A:802 |
2 |
1 |
184 |
f |
[DMD]A:801 |
x,y,z |
1_555 |
3 |
1 |
315 |
20.2 |
0.9 |
0.311 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[EDO]C:802 |
2 |
1 |
182 |
f |
[DMD]C:801 |
x,y,z |
1_555 |
3 |
1 |
315 |
19.4 |
1.0 |
0.355 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[EDO]D:403 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
12912 |
15.3 |
0.4 |
0.928 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[EDO]B:402 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13239 |
14.2 |
0.3 |
0.928 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
B |
3 |
3 |
14392 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
12912 |
5.1 |
0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
1 |
1 |
13239 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
14278 |
2.7 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
Average: |
3.9 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
C |
1 |
1 |
12912 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13239 |
0.3 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
|