| ## |
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 |
|
A |
52 |
22 |
12326 |
x |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
63 |
23 |
12326 |
468.7 |
1.8 |
0.737 |
0 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
54 |
15 |
12326 |
x |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
53 |
16 |
12326 |
456.2 |
-2.7 |
0.331 |
1 |
3 |
0 |
0.000 |
| 3 |
3 |
|
[XYP]A:412 |
10 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
12326 |
157.4 |
-3.2 |
0.613 |
1 |
0 |
0 |
0.001 |
| 4 |
4 |
|
[XYP]A:413 |
10 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
12326 |
155.1 |
-2.4 |
0.663 |
2 |
0 |
0 |
0.001 |
| 5 |
5 |
|
[XYP]A:418 |
10 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
12326 |
139.9 |
-3.1 |
0.614 |
1 |
0 |
0 |
0.001 |
| 6 |
6 |
|
[XYP]A:417 |
9 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
12326 |
132.5 |
-4.3 |
0.502 |
0 |
0 |
0 |
0.001 |
| 7 |
7 |
|
[XYP]A:415 |
9 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
12326 |
127.6 |
-1.7 |
0.546 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[XYP]A:414 |
7 |
1 |
268 |
f |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
18 |
7 |
12326 |
108.9 |
-2.7 |
0.461 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[XYP]A:416 |
9 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12326 |
106.8 |
-1.0 |
0.745 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
14 |
4 |
12326 |
◊ |
[XYP]A:411 |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
8 |
1 |
270 |
96.1 |
-0.8 |
0.626 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[XYP]A:419 |
6 |
1 |
270 |
f |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
14 |
7 |
12326 |
84.4 |
-2.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[XYP]A:419 |
8 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
12326 |
82.5 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[XYP]A:411 |
8 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
12326 |
72.7 |
-1.1 |
0.353 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[XYP]A:414 |
7 |
1 |
268 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12326 |
66.4 |
-0.8 |
0.600 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
A |
10 |
5 |
12326 |
◊ |
[XYP]A:417 |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
4 |
1 |
269 |
57.9 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[ZN]A:410 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
12326 |
48.9 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 17 |
17 |
|
[ZN]A:409 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
12 |
8 |
12326 |
48.4 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.017 |
18 |
|
[ZN]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
12326 |
38.5 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
43.4 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 18 |
19 |
|
[ZN]A:406 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
12326 |
47.0 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 19 |
20 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12326 |
44.6 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 20 |
21 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
12326 |
44.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 21 |
22 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12326 |
42.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 22 |
23 |
|
A |
7 |
3 |
12326 |
◊ |
[XYP]A:412 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
4 |
1 |
267 |
41.3 |
-1.3 |
0.654 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
12326 |
36.9 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 24 |
25 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
12326 |
36.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 25 |
26 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12326 |
34.5 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 26 |
27 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
4 |
2 |
12326 |
22.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[ZN]A:409 |
1 |
1 |
98 |
f |
[ZN]A:408 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.7 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 28 |
29 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
[XYP]A:417 |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
2 |
1 |
269 |
16.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
A |
3 |
1 |
12326 |
◊ |
[ZN]A:407 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
98 |
15.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[ZN]A:410 |
1 |
1 |
98 |
f |
[ZN]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 31 |
32 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
[ZN]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 32 |
33 |
|
[ZN]A:409 |
1 |
1 |
98 |
f |
[ZN]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 33 |
34 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 34 |
35 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
[ZN]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 35 |
36 |
|
[ZN]A:410 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
2 |
1 |
12326 |
3.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[XYP]A:415 |
1 |
1 |
270 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
12326 |
1.6 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
|