| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
204 |
58 |
21531 |
x |
C |
-y+1,x-y+1,z |
3_665 |
251 |
70 |
21531 |
2094.2 |
-24.0 |
0.073 |
36 |
15 |
0 |
0.276 |
2 |
|
C |
210 |
51 |
21531 |
◊ |
B |
x,y,z |
1_555 |
191 |
45 |
7839 |
1761.1 |
-14.9 |
0.212 |
27 |
7 |
0 |
0.179 |
3 |
|
A |
142 |
36 |
6475 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
154 |
43 |
21531 |
1419.9 |
-11.4 |
0.479 |
32 |
7 |
0 |
0.177 |
4 |
|
C |
87 |
21 |
21531 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
6475 |
836.6 |
-8.1 |
0.315 |
12 |
5 |
0 |
0.100 |
5 |
|
B |
97 |
24 |
7839 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
83 |
25 |
21531 |
817.5 |
-3.6 |
0.364 |
12 |
10 |
0 |
0.061 |
6 |
|
A |
68 |
14 |
6475 |
x |
A |
-y+1,x-y+1,z |
3_665 |
66 |
19 |
6475 |
639.2 |
-7.2 |
0.417 |
11 |
14 |
0 |
0.543 |
7 |
|
C |
42 |
11 |
21531 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
43 |
11 |
21531 |
370.0 |
-2.1 |
0.529 |
4 |
0 |
0 |
0.000 |
8 |
|
B |
28 |
8 |
7839 |
◊ |
A |
x-y+1,-y+2,-z+1 |
7_676 |
29 |
8 |
6475 |
243.3 |
-1.9 |
0.538 |
1 |
0 |
0 |
0.000 |
9 |
|
B |
19 |
5 |
7839 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
6475 |
201.1 |
-2.5 |
0.300 |
4 |
0 |
0 |
0.025 |
10 |
|
C |
23 |
5 |
21531 |
◊ |
A |
x-y+1,-y+2,-z+1 |
7_676 |
21 |
6 |
6475 |
199.6 |
-1.6 |
0.524 |
3 |
2 |
0 |
0.000 |
11 |
|
C |
18 |
5 |
21531 |
◊ |
A |
-x+1,-x+y,-z+1 |
9_656 |
23 |
7 |
6475 |
194.1 |
-2.8 |
0.326 |
1 |
1 |
0 |
0.000 |
12 |
|
C |
17 |
5 |
21531 |
◊ |
C |
y,x,-z+1 |
11_556 |
17 |
5 |
21531 |
180.8 |
2.1 |
0.896 |
2 |
4 |
0 |
0.000 |
13 |
|
[HQE]C:1583 |
8 |
1 |
248 |
cf |
C |
x,y,z |
1_555 |
17 |
6 |
21531 |
128.4 |
3.9 |
0.203 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
13 |
4 |
7839 |
◊ |
B |
x-y+1,-y+2,-z+1 |
7_676 |
13 |
4 |
7839 |
127.3 |
1.2 |
0.772 |
4 |
4 |
0 |
0.000 |
15 |
|
[SO4]C:1579 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
21531 |
120.9 |
-19.0 |
0.600 |
3 |
0 |
0 |
0.142 |
16 |
|
[HQE]C:1584 |
6 |
1 |
248 |
cf |
C |
x,y,z |
1_555 |
17 |
5 |
21531 |
111.4 |
0.8 |
0.045 |
0 |
0 |
0 |
0.000 |
17 |
|
C |
14 |
5 |
21531 |
◊ |
C |
-x+y,y,-z+1/2 |
10_555 |
13 |
5 |
21531 |
108.0 |
-0.2 |
0.593 |
1 |
0 |
0 |
0.000 |
18 |
|
[SO4]C:1587 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
21531 |
101.8 |
-13.2 |
0.860 |
2 |
0 |
0 |
0.099 |
19 |
|
[EDO]C:1571 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
21531 |
98.0 |
3.1 |
0.524 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:1127 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
7839 |
96.2 |
2.1 |
0.364 |
2 |
0 |
0 |
0.000 |
21 |
|
[EDO]C:1574 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
21531 |
94.2 |
3.1 |
0.316 |
3 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:1575 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21531 |
91.7 |
3.1 |
0.456 |
1 |
0 |
0 |
0.000 |
23 |
|
[EDO]C:1578 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
21531 |
90.2 |
3.7 |
0.557 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]C:1573 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
21531 |
89.2 |
3.0 |
0.486 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:1101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
6475 |
85.3 |
2.1 |
0.457 |
1 |
0 |
0 |
0.000 |
26 |
|
C |
8 |
3 |
21531 |
◊ |
[HQE]C:1584 |
-y+1,x-y+1,z |
3_665 |
8 |
1 |
248 |
82.8 |
1.8 |
0.336 |
0 |
0 |
0 |
0.000 |
27 |
|
[SO4]C:1585 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
21531 |
80.7 |
-12.4 |
0.618 |
3 |
0 |
0 |
0.096 |
28 |
|
[SO4]A:1102 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
6475 |
78.8 |
-12.1 |
0.655 |
1 |
0 |
0 |
0.479 |
29 |
|
[EDO]C:1572 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
21531 |
73.8 |
1.5 |
0.681 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]C:1577 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
21531 |
71.6 |
1.3 |
0.245 |
1 |
0 |
0 |
0.000 |
31 |
|
[SO4]C:1582 |
5 |
1 |
188 |
f |
C |
x,x-y+1,-z+1/2 |
12_565 |
11 |
5 |
21531 |
71.5 |
-10.4 |
0.652 |
2 |
0 |
0 |
0.079 |
32 |
|
C |
8 |
4 |
21531 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
8 |
4 |
21531 |
68.6 |
-1.0 |
0.365 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:1101 |
4 |
1 |
184 |
f |
C |
-y+1,x-y+1,z |
3_665 |
6 |
3 |
21531 |
66.8 |
1.8 |
0.880 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]C:1576 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
21531 |
65.8 |
1.8 |
0.840 |
2 |
0 |
0 |
0.000 |
35 |
|
[SO4]C:1588 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
21531 |
60.9 |
-7.4 |
0.898 |
2 |
0 |
0 |
0.058 |
36 |
|
[SO4]C:1586 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
21531 |
58.6 |
-7.7 |
0.795 |
2 |
0 |
0 |
0.060 |
37 |
|
[SO4]B:1128 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7839 |
57.3 |
-7.1 |
0.878 |
2 |
0 |
0 |
0.114 |
38 |
|
[SO4]C:1581 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
21531 |
53.7 |
-6.3 |
0.854 |
2 |
0 |
0 |
0.050 |
39 |
|
[SO4]C:1587 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
7839 |
52.3 |
-7.0 |
0.745 |
0 |
0 |
0 |
0.045 |
40 |
|
[EDO]C:1576 |
3 |
1 |
183 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
6 |
3 |
21531 |
52.1 |
1.4 |
0.241 |
0 |
0 |
0 |
0.000 |
41 |
|
[NI]C:601 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
21531 |
41.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.064 |
42 |
|
[HQE]C:1583 |
3 |
1 |
248 |
f |
[SO4]C:1588 |
x,y,z |
1_555 |
4 |
1 |
186 |
40.7 |
-3.7 |
0.999 |
2 |
0 |
0 |
0.032 |
43 |
|
[EDO]C:1578 |
4 |
1 |
186 |
f |
C |
x,x-y+1,-z+1/2 |
12_565 |
6 |
1 |
21531 |
39.2 |
0.5 |
0.798 |
2 |
0 |
0 |
0.003 |
44 |
|
[NI]C:600 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
21531 |
38.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.058 |
45 |
|
[EDO]B:1127 |
2 |
1 |
186 |
f |
A |
x-y+1,-y+2,-z+1 |
7_676 |
7 |
1 |
6475 |
35.5 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
46 |
|
[EDO]C:1578 |
4 |
1 |
186 |
◊ |
[EDO]C:1576 |
x,y,z |
1_555 |
3 |
1 |
183 |
33.6 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
2 |
1 |
21531 |
f |
[EDO]C:1574 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
182 |
33.6 |
0.7 |
0.294 |
0 |
0 |
0 |
0.000 |
48 |
|
[OH]C:1580 |
1 |
1 |
99 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
21531 |
32.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.032 |
49 |
|
[EDO]C:1575 |
2 |
1 |
182 |
◊ |
[EDO]C:1572 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.0 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[SO4]C:1581 |
3 |
1 |
186 |
f |
[EDO]C:1577 |
x,y,z |
1_555 |
2 |
1 |
182 |
31.7 |
-2.9 |
0.996 |
1 |
0 |
0 |
0.024 |
51 |
|
[SO4]A:1102 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
21531 |
30.2 |
-2.6 |
0.975 |
1 |
0 |
0 |
0.021 |
52 |
|
[SO4]C:1582 |
4 |
1 |
188 |
◊ |
[EDO]C:1573 |
x,y,z |
1_555 |
3 |
1 |
184 |
30.0 |
-2.2 |
0.999 |
2 |
0 |
0 |
0.000 |
53 |
|
[SO4]C:1586 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7839 |
22.5 |
-2.9 |
0.635 |
0 |
0 |
0 |
0.019 |
54 |
|
A |
3 |
1 |
6475 |
◊ |
[HQE]C:1584 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
248 |
22.4 |
0.7 |
0.914 |
1 |
0 |
0 |
0.000 |
55 |
|
[OH]C:1580 |
1 |
1 |
99 |
f |
[NI]C:600 |
x,y,z |
1_555 |
1 |
1 |
115 |
21.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
56 |
|
[OH]C:1580 |
1 |
1 |
99 |
f |
[NI]C:601 |
x,y,z |
1_555 |
1 |
1 |
115 |
20.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.023 |
57 |
|
[NI]C:601 |
1 |
1 |
115 |
f |
[NI]C:600 |
x,y,z |
1_555 |
1 |
1 |
115 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
58 |
|
B |
2 |
1 |
7839 |
f |
[EDO]C:1571 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
184 |
15.7 |
0.9 |
0.970 |
0 |
0 |
0 |
0.000 |
59 |
|
[SO4]C:1582 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21531 |
11.6 |
-1.1 |
0.942 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]C:1577 |
2 |
1 |
182 |
f |
[EDO]C:1575 |
x,y,z |
1_555 |
2 |
1 |
182 |
10.0 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[NI]C:600 |
1 |
1 |
115 |
f |
[SO4]C:1579 |
x,y,z |
1_555 |
3 |
1 |
188 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
62 |
|
[OH]C:1580 |
1 |
1 |
99 |
f |
[SO4]C:1579 |
x,y,z |
1_555 |
2 |
1 |
188 |
5.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
63 |
|
[EDO]C:1572 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
7839 |
5.4 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
1 |
1 |
21531 |
◊ |
[SO4]C:1579 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
188 |
4.5 |
-0.6 |
0.514 |
0 |
0 |
0 |
0.004 |
65 |
|
[EDO]C:1573 |
2 |
1 |
184 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
2 |
2 |
21531 |
3.0 |
0.0 |
0.723 |
0 |
0 |
0 |
0.000 |
|