| ## |
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 |
|
S |
60 |
11 |
2189 |
◊ |
D |
x,y,z |
1_555 |
92 |
25 |
4557 |
733.7 |
-5.8 |
0.480 |
16 |
4 |
0 |
1.000 |
2 |
|
P |
62 |
12 |
2077 |
◊ |
A |
x,y,z |
1_555 |
90 |
23 |
4846 |
711.0 |
-6.6 |
0.523 |
16 |
0 |
0 |
1.000 |
3 |
|
R |
56 |
9 |
2011 |
◊ |
C |
x,y,z |
1_555 |
90 |
22 |
4399 |
688.8 |
-7.4 |
0.443 |
13 |
0 |
0 |
1.000 |
4 |
|
Q |
56 |
9 |
1855 |
◊ |
B |
x,y,z |
1_555 |
86 |
22 |
4630 |
662.2 |
-5.4 |
0.472 |
14 |
2 |
0 |
1.000 |
| Average: |
698.9 |
-6.3 |
0.479 |
15 |
2 |
0 |
1.000 |
| 2 |
5 |
|
A |
58 |
18 |
4846 |
◊ |
A |
y+1,x-1,-z |
7_645 |
57 |
18 |
4846 |
609.7 |
-1.5 |
0.650 |
12 |
0 |
0 |
0.000 |
6 |
|
D |
50 |
17 |
4557 |
◊ |
C |
x,y,z |
1_555 |
50 |
16 |
4399 |
498.4 |
-4.5 |
0.428 |
8 |
1 |
0 |
0.000 |
| Average: |
554.1 |
-3.0 |
0.539 |
10 |
1 |
0 |
0.000 |
| 3 |
7 |
|
B |
48 |
17 |
4630 |
◊ |
B |
y+1,x-1,-z |
7_645 |
48 |
17 |
4630 |
493.1 |
-4.7 |
0.270 |
10 |
0 |
0 |
0.028 |
| 4 |
8 |
|
B |
34 |
10 |
4630 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
10 |
4846 |
329.2 |
-1.9 |
0.368 |
5 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
24 |
7 |
4630 |
◊ |
A |
y,x-2,-z |
7_535 |
32 |
9 |
4846 |
273.7 |
-3.6 |
0.278 |
2 |
1 |
0 |
0.000 |
| 6 |
10 |
|
Q |
25 |
6 |
1855 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
4399 |
255.8 |
-3.8 |
0.447 |
3 |
0 |
0 |
0.022 |
11 |
|
R |
25 |
6 |
2011 |
◊ |
B |
x,y,z |
1_555 |
33 |
13 |
4630 |
247.5 |
-2.5 |
0.477 |
3 |
0 |
0 |
0.022 |
12 |
|
P |
23 |
6 |
2077 |
◊ |
D |
x,y,z |
1_555 |
33 |
14 |
4557 |
232.8 |
-3.1 |
0.470 |
3 |
0 |
0 |
0.022 |
13 |
|
S |
23 |
5 |
2189 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
4846 |
221.0 |
-1.9 |
0.484 |
3 |
0 |
0 |
0.022 |
| Average: |
239.3 |
-2.8 |
0.469 |
3 |
0 |
0 |
0.022 |
| 7 |
14 |
|
R |
19 |
4 |
2011 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
7 |
4557 |
174.6 |
-2.0 |
0.509 |
1 |
0 |
0 |
0.000 |
| 8 |
15 |
|
C |
22 |
8 |
4399 |
◊ |
A |
y,x-1,-z |
7_545 |
22 |
7 |
4846 |
172.7 |
1.7 |
0.809 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
S |
14 |
3 |
2189 |
◊ |
A |
-x+3/2,y-1/2,-z-1/4 |
5_644 |
19 |
6 |
4846 |
165.9 |
-0.6 |
0.532 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
S |
16 |
4 |
2189 |
◊ |
P |
x,y,z |
1_555 |
21 |
6 |
2077 |
148.9 |
-0.3 |
0.666 |
1 |
0 |
0 |
0.003 |
18 |
|
R |
12 |
4 |
2011 |
◊ |
Q |
x,y,z |
1_555 |
14 |
5 |
1855 |
109.4 |
-1.0 |
0.595 |
0 |
0 |
0 |
0.003 |
| Average: |
129.2 |
-0.7 |
0.631 |
1 |
0 |
0 |
0.003 |
| 11 |
19 |
|
B |
17 |
4 |
4630 |
◊ |
S |
-x+3/2,y-1/2,-z-1/4 |
5_644 |
15 |
3 |
2189 |
143.9 |
1.1 |
0.700 |
3 |
2 |
0 |
0.000 |
| 12 |
20 |
|
C |
9 |
4 |
4399 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
4630 |
90.9 |
-0.9 |
0.390 |
0 |
0 |
0 |
0.002 |
21 |
|
D |
8 |
4 |
4557 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
4846 |
84.2 |
-1.3 |
0.358 |
0 |
0 |
0 |
0.002 |
| Average: |
87.5 |
-1.1 |
0.374 |
0 |
0 |
0 |
0.002 |
| 13 |
22 |
|
B |
9 |
3 |
4630 |
◊ |
P |
x,y-1,z |
1_545 |
9 |
4 |
2077 |
89.9 |
-1.0 |
0.501 |
0 |
1 |
0 |
0.000 |
| 14 |
23 |
|
[EDO]D:2 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
4557 |
73.6 |
2.2 |
0.296 |
3 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[EDO]D:4 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
4557 |
72.6 |
2.4 |
0.917 |
2 |
0 |
0 |
0.000 |
| 16 |
25 |
|
D |
6 |
2 |
4557 |
◊ |
A |
-x+3/2,y-1/2,-z-1/4 |
5_644 |
7 |
3 |
4846 |
70.7 |
0.3 |
0.687 |
2 |
2 |
0 |
0.000 |
| 17 |
26 |
|
[EDO]C:3 |
4 |
1 |
183 |
◊ |
A |
y,x-1,-z |
7_545 |
6 |
4 |
4846 |
67.7 |
2.6 |
0.945 |
1 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[EDO]C:3 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
4399 |
53.0 |
0.9 |
0.781 |
2 |
0 |
0 |
0.000 |
| 19 |
28 |
|
Q |
7 |
2 |
1855 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
4399 |
52.6 |
-0.1 |
0.673 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
D |
6 |
2 |
4557 |
x |
D |
-x+3/2,y-1/2,-z-1/4 |
5_644 |
6 |
4 |
4557 |
49.0 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[EDO]D:2 |
3 |
1 |
184 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
2077 |
47.6 |
1.9 |
0.302 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
R |
3 |
2 |
2011 |
◊ |
S |
x-1,y,z |
1_455 |
2 |
1 |
2189 |
38.0 |
0.4 |
0.580 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[EDO]D:4 |
4 |
1 |
183 |
f |
P |
x,y,z |
1_555 |
3 |
1 |
2077 |
30.9 |
0.3 |
0.643 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[EDO]D:2 |
2 |
1 |
184 |
f |
S |
x,y,z |
1_555 |
6 |
2 |
2189 |
30.0 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
C |
3 |
1 |
4399 |
◊ |
P |
y,x-1,-z |
7_545 |
2 |
1 |
2077 |
16.1 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
C |
2 |
1 |
4399 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
4557 |
14.9 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
C |
1 |
1 |
4399 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
4846 |
7.7 |
-0.1 |
0.456 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
D |
1 |
1 |
4557 |
◊ |
S |
-x+3/2,y-1/2,-z-1/4 |
5_644 |
2 |
1 |
2189 |
4.6 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
|