## |
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 |
59 |
19 |
15671 |
◊ |
A |
-x,y,-z+1 |
2_556 |
59 |
19 |
15671 |
533.3 |
3.0 |
0.831 |
10 |
2 |
0 |
0.000 |
2 |
2 |
|
A |
43 |
13 |
15671 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
47 |
15 |
15671 |
375.0 |
-0.6 |
0.568 |
7 |
5 |
0 |
0.000 |
3 |
3 |
|
A |
43 |
17 |
15671 |
◊ |
A |
-x,y,-z |
2_555 |
42 |
16 |
15671 |
367.3 |
-0.6 |
0.559 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
[XYP]A:404 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
15671 |
156.3 |
-3.2 |
0.587 |
3 |
0 |
0 |
0.001 |
5 |
5 |
|
[XYP]A:403 |
9 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
15671 |
134.5 |
-1.1 |
0.667 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[XYP]A:402 |
9 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
15671 |
133.6 |
-4.9 |
0.356 |
6 |
0 |
0 |
0.002 |
7 |
7 |
|
[XYP]A:401 |
8 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
15671 |
129.9 |
-3.0 |
0.645 |
3 |
0 |
0 |
0.001 |
8 |
8 |
|
[XYP]A:405 |
10 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
15671 |
123.8 |
-0.8 |
0.647 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
15671 |
64.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.003 |
10 |
10 |
|
[XYP]A:405 |
4 |
1 |
273 |
cf |
[XYP]A:404 |
x,y,z |
1_555 |
4 |
1 |
263 |
52.8 |
-1.2 |
0.708 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15671 |
51.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.002 |
12 |
12 |
|
[ZN]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
15671 |
48.7 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.016 |
13 |
|
[ZN]A:415 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
15671 |
47.6 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
48.2 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.016 |
13 |
14 |
|
[ZN]A:412 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
15671 |
48.0 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.009 |
14 |
15 |
|
[XYP]A:402 |
4 |
1 |
262 |
cf |
[XYP]A:401 |
x,y,z |
1_555 |
5 |
1 |
260 |
46.7 |
-1.0 |
0.805 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[XYP]A:404 |
4 |
1 |
263 |
cf |
[XYP]A:403 |
x,y,z |
1_555 |
5 |
1 |
261 |
46.1 |
-1.6 |
0.738 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[XYP]A:403 |
4 |
1 |
261 |
cf |
[XYP]A:402 |
x,y,z |
1_555 |
4 |
1 |
262 |
45.7 |
-0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
A |
7 |
2 |
15671 |
◊ |
[CL]A:409 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
125 |
42.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15671 |
41.0 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.011 |
20 |
|
[ZN]A:417 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
15671 |
34.5 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
37.8 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
21 |
|
[ZN]A:411 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15671 |
39.8 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.008 |
20 |
22 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15671 |
38.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.001 |
21 |
23 |
|
[ZN]A:410 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15671 |
35.2 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.007 |
22 |
24 |
|
A |
5 |
3 |
15671 |
f |
[ZN]A:413 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
98 |
33.9 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
25 |
|
A |
8 |
5 |
15671 |
◊ |
[ZN]A:416 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
98 |
33.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[ZN]A:416 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15671 |
30.7 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.004 |
25 |
27 |
|
[ZN]A:413 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15671 |
30.4 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[ZN]A:415 |
1 |
1 |
98 |
f |
[ZN]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.007 |
27 |
29 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
[XYP]A:401 |
x,y,z |
1_555 |
3 |
1 |
260 |
27.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.001 |
28 |
30 |
|
A |
5 |
2 |
15671 |
◊ |
[ZN]A:417 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
98 |
27.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
3 |
2 |
15671 |
◊ |
[ZN]A:407 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
98 |
25.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
[ZN]A:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.004 |
30 |
33 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
[ZN]A:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
34 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
[ZN]A:416 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.003 |
32 |
35 |
|
[ZN]A:417 |
1 |
1 |
98 |
f |
[ZN]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.6 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
36 |
|
[CL]A:409 |
1 |
1 |
125 |
◊ |
[ZN]A:413 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[ZN]A:410 |
1 |
1 |
98 |
f |
[XYP]A:401 |
x,y,z |
1_555 |
2 |
1 |
260 |
14.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.002 |
35 |
38 |
|
[XYP]A:403 |
2 |
1 |
261 |
f |
[XYP]A:401 |
x,y,z |
1_555 |
1 |
1 |
260 |
4.9 |
-0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[ZN]A:416 |
1 |
1 |
98 |
◊ |
[ZN]A:413 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
[ZN]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[ZN]A:416 |
1 |
1 |
98 |
f |
[ZN]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|