| ## |
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 |
227 |
80 |
18413 |
◊ |
A |
x,y,z |
1_555 |
229 |
80 |
18234 |
2038.5 |
19.1 |
0.938 |
27 |
17 |
0 |
0.000 |
| 2 |
2 |
|
B |
64 |
22 |
18413 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
56 |
15 |
18234 |
631.9 |
-1.1 |
0.402 |
12 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
55 |
19 |
18234 |
◊ |
B |
-x+2,y-1/2,-z+5/2 |
3_747 |
58 |
17 |
18413 |
539.7 |
1.8 |
0.569 |
3 |
4 |
0 |
0.000 |
| 4 |
4 |
|
A |
58 |
15 |
18234 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
60 |
16 |
18413 |
527.9 |
-2.4 |
0.329 |
9 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
30 |
9 |
18234 |
x |
A |
-x+2,y-1/2,-z+5/2 |
3_747 |
40 |
11 |
18234 |
338.4 |
2.8 |
0.750 |
3 |
2 |
0 |
0.000 |
| 6 |
6 |
|
B |
29 |
6 |
18413 |
x |
B |
-x+2,y-1/2,-z+5/2 |
3_747 |
31 |
9 |
18413 |
253.7 |
0.4 |
0.563 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[MES]B:504 |
11 |
1 |
340 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18413 |
161.8 |
3.3 |
0.132 |
0 |
0 |
0 |
0.000 |
8 |
|
[MES]A:505 |
11 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
18234 |
161.2 |
3.4 |
0.143 |
0 |
0 |
0 |
0.000 |
| Average: |
161.5 |
3.3 |
0.138 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[MES]B:503 |
9 |
1 |
338 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
18413 |
119.5 |
2.5 |
0.123 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[PEG]A:507 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
18234 |
109.5 |
1.8 |
0.264 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[MES]B:503 |
8 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
18234 |
88.0 |
2.1 |
0.163 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18413 |
77.2 |
-10.8 |
0.578 |
1 |
0 |
0 |
0.041 |
| 12 |
13 |
|
[PEG]A:507 |
4 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
18413 |
56.5 |
1.3 |
0.374 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
18413 |
51.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 14 |
15 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
18413 |
47.0 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.096 |
| 15 |
16 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18234 |
39.8 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.074 |
| 16 |
17 |
|
[CL]B:507 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18413 |
39.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.020 |
| 17 |
18 |
|
A |
4 |
1 |
18234 |
f |
[MES]B:504 |
-x+3/2,-y+2,z-1/2 |
2_674 |
4 |
1 |
340 |
38.2 |
0.8 |
0.125 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18413 |
38.0 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.066 |
| 19 |
20 |
|
[PEG]A:507 |
6 |
1 |
262 |
f |
[MES]B:503 |
x,y,z |
1_555 |
3 |
1 |
338 |
37.8 |
2.2 |
0.157 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18413 |
37.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.037 |
22 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18234 |
36.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
37.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| 21 |
23 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
18413 |
37.6 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.071 |
| 22 |
24 |
|
[CL]B:508 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
18413 |
35.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.023 |
25 |
|
[CL]B:505 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18234 |
28.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
31.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 23 |
26 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18413 |
34.8 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.060 |
| 24 |
27 |
|
[CL]B:507 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
18234 |
33.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.010 |
| 25 |
28 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18234 |
33.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.058 |
| 26 |
29 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18234 |
30.4 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 27 |
30 |
|
[SO4]A:506 |
4 |
1 |
186 |
f |
[MES]B:503 |
x,y,z |
1_555 |
7 |
1 |
338 |
28.7 |
-1.9 |
0.076 |
0 |
0 |
0 |
0.007 |
| 28 |
31 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
18413 |
26.9 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.053 |
| 29 |
32 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
18413 |
26.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.076 |
33 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18234 |
21.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
23.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.076 |
| 30 |
34 |
|
[ZN]A:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
18234 |
25.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.041 |
| 31 |
35 |
|
[SO4]A:506 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
18234 |
24.1 |
-3.1 |
0.732 |
1 |
0 |
0 |
0.013 |
| 32 |
36 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| 33 |
37 |
|
[CL]B:508 |
1 |
1 |
125 |
◊ |
[SO4]A:506 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 34 |
38 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 35 |
39 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 36 |
40 |
|
[PEG]A:507 |
3 |
1 |
262 |
f |
[SO4]A:506 |
x,y,z |
1_555 |
3 |
1 |
186 |
18.8 |
-1.7 |
0.453 |
0 |
0 |
0 |
0.006 |
| 37 |
41 |
|
[CL]B:507 |
1 |
1 |
125 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| 38 |
42 |
|
[CL]B:507 |
1 |
1 |
125 |
f |
[CL]B:505 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 39 |
43 |
|
[CL]B:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18234 |
15.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 40 |
44 |
|
[PEG]A:507 |
2 |
1 |
262 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 41 |
45 |
|
A |
5 |
2 |
18234 |
x |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
2 |
1 |
18234 |
13.5 |
0.6 |
0.736 |
0 |
0 |
0 |
0.000 |
| 42 |
46 |
|
A |
1 |
1 |
18234 |
f |
[MES]A:505 |
-x+2,y-1/2,-z+5/2 |
3_747 |
1 |
1 |
342 |
6.7 |
0.5 |
0.468 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[SO4]A:506 |
2 |
1 |
186 |
◊ |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.005 |
| 44 |
48 |
|
A |
1 |
1 |
18234 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
1 |
1 |
18413 |
0.8 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|