## |
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 |
|
E |
127 |
37 |
10011 |
◊ |
C |
x,y,z |
1_555 |
129 |
37 |
9859 |
1298.1 |
-20.4 |
0.027 |
8 |
2 |
0 |
0.188 |
2 |
|
D |
128 |
37 |
9885 |
◊ |
D |
x,x-y,-z+1/6 |
12_555 |
126 |
37 |
9885 |
1286.1 |
-19.0 |
0.047 |
10 |
2 |
0 |
0.188 |
3 |
|
B |
127 |
36 |
10007 |
◊ |
A |
x,y,z |
1_555 |
123 |
35 |
9915 |
1282.7 |
-19.7 |
0.030 |
10 |
2 |
0 |
0.188 |
Average: |
1289.0 |
-19.7 |
0.034 |
9 |
2 |
0 |
0.188 |
2 |
4 |
|
D |
48 |
14 |
9885 |
◊ |
C |
x,y,z |
1_555 |
50 |
14 |
9859 |
487.6 |
-5.6 |
0.269 |
7 |
8 |
0 |
0.000 |
3 |
5 |
|
C |
40 |
11 |
9859 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
9915 |
285.7 |
-0.3 |
0.681 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
E |
24 |
11 |
10011 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
30 |
9 |
9915 |
223.0 |
-2.1 |
0.417 |
0 |
0 |
0 |
0.000 |
7 |
|
D |
20 |
9 |
9885 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
10007 |
178.2 |
-2.3 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
200.6 |
-2.2 |
0.384 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
21 |
6 |
9859 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
22 |
8 |
9915 |
209.0 |
-2.8 |
0.280 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
19 |
7 |
9915 |
◊ |
D |
x-y,-y+1,-z |
8_565 |
19 |
8 |
9885 |
192.1 |
-2.8 |
0.258 |
2 |
0 |
0 |
0.000 |
10 |
|
E |
20 |
7 |
10011 |
◊ |
C |
-x+y+1,y,-z+1/2 |
11_655 |
17 |
8 |
9859 |
190.4 |
-2.3 |
0.315 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
22 |
7 |
9885 |
◊ |
B |
x-y+1,x,z+1/6 |
6_655 |
16 |
7 |
10007 |
190.0 |
-2.3 |
0.302 |
3 |
0 |
0 |
0.000 |
12 |
|
E |
16 |
8 |
10011 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
20 |
8 |
10007 |
173.6 |
-2.2 |
0.324 |
2 |
0 |
0 |
0.000 |
Average: |
191.0 |
-2.5 |
0.296 |
2 |
0 |
0 |
0.000 |
6 |
13 |
|
E |
15 |
5 |
10011 |
◊ |
D |
x,x-y,-z+1/6 |
12_555 |
15 |
5 |
9885 |
159.5 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
[GOL]E:2001 |
6 |
1 |
227 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
10011 |
128.5 |
0.2 |
0.630 |
4 |
0 |
0 |
0.028 |
15 |
|
[GOL]A:2001 |
6 |
1 |
226 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
9915 |
127.6 |
0.1 |
0.615 |
4 |
0 |
0 |
0.028 |
16 |
|
[GOL]B:2002 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
10007 |
126.4 |
0.2 |
0.634 |
5 |
0 |
0 |
0.028 |
Average: |
127.5 |
0.2 |
0.626 |
4 |
0 |
0 |
0.028 |
8 |
17 |
|
[GOL]C:2002 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
9859 |
127.5 |
-0.5 |
0.585 |
3 |
0 |
0 |
0.012 |
9 |
18 |
|
[GOL]C:2001 |
6 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
9859 |
127.4 |
0.1 |
0.625 |
4 |
0 |
0 |
0.011 |
10 |
19 |
|
[GOL]B:2003 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
10007 |
127.0 |
-0.1 |
0.621 |
5 |
0 |
0 |
0.018 |
11 |
20 |
|
[GOL]E:2002 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
24 |
10 |
10011 |
127.0 |
-0.7 |
0.531 |
3 |
0 |
0 |
0.014 |
12 |
21 |
|
[GOL]D:2003 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
9885 |
119.4 |
-0.7 |
0.470 |
3 |
0 |
0 |
0.025 |
13 |
22 |
|
[GOL]D:2001 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
9885 |
98.5 |
-0.3 |
0.546 |
2 |
0 |
0 |
0.014 |
14 |
23 |
|
[GOL]B:2001 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
10007 |
98.1 |
0.8 |
0.662 |
3 |
0 |
0 |
0.000 |
15 |
24 |
|
[SO4]B:1002 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
10007 |
96.0 |
-15.2 |
0.852 |
5 |
0 |
0 |
0.134 |
16 |
25 |
|
[SO4]E:217 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
10011 |
96.0 |
-15.1 |
0.844 |
5 |
0 |
0 |
0.117 |
17 |
26 |
|
[SO4]C:216 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9859 |
95.3 |
-13.7 |
0.939 |
6 |
0 |
0 |
0.111 |
18 |
27 |
|
[SO4]A:216 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9915 |
94.4 |
-14.6 |
0.882 |
4 |
0 |
0 |
0.126 |
19 |
28 |
|
[SO4]E:218 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
10 |
10011 |
92.4 |
-12.3 |
0.772 |
2 |
0 |
0 |
0.089 |
20 |
29 |
|
D |
7 |
2 |
9885 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
9 |
2 |
9915 |
91.8 |
-2.0 |
0.174 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
7 |
2 |
9859 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
8 |
2 |
10007 |
91.5 |
-2.0 |
0.162 |
0 |
0 |
0 |
0.000 |
31 |
|
E |
9 |
2 |
10011 |
◊ |
E |
-x+y+1,y,-z+1/2 |
11_655 |
9 |
2 |
10011 |
90.7 |
-1.9 |
0.211 |
0 |
0 |
0 |
0.000 |
Average: |
91.3 |
-2.0 |
0.182 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[SO4]C:217 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
9859 |
90.9 |
-15.2 |
0.737 |
5 |
0 |
0 |
0.118 |
22 |
33 |
|
[SO4]B:216 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
10007 |
89.5 |
-15.0 |
0.741 |
5 |
0 |
0 |
0.133 |
23 |
34 |
|
[SO4]E:216 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
10011 |
89.2 |
-14.6 |
0.740 |
5 |
0 |
0 |
0.114 |
24 |
35 |
|
[SO4]D:218 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
9885 |
89.1 |
-14.6 |
0.737 |
5 |
0 |
0 |
0.207 |
25 |
36 |
|
[SO4]A:1001 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9915 |
88.8 |
-14.8 |
0.723 |
5 |
0 |
0 |
0.131 |
26 |
37 |
|
[SO4]D:217 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
9885 |
87.5 |
-12.4 |
0.939 |
6 |
0 |
0 |
0.185 |
27 |
38 |
|
[SO4]D:219 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
9885 |
86.4 |
-11.0 |
0.780 |
2 |
0 |
0 |
0.146 |
28 |
39 |
|
[SO4]C:218 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
9859 |
84.6 |
-10.7 |
0.763 |
2 |
0 |
0 |
0.078 |
29 |
40 |
|
[SO4]B:217 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
10007 |
82.6 |
-11.1 |
0.737 |
2 |
0 |
0 |
0.092 |
30 |
41 |
|
[SO4]A:217 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
9915 |
81.8 |
-10.7 |
0.755 |
2 |
0 |
0 |
0.089 |
31 |
42 |
|
[SO4]C:219 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9859 |
78.2 |
-9.9 |
0.872 |
4 |
0 |
0 |
0.079 |
32 |
43 |
|
[SO4]D:216 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
9885 |
77.6 |
-9.9 |
0.880 |
4 |
0 |
0 |
0.143 |
33 |
44 |
|
[SO4]E:217 |
4 |
1 |
185 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
6 |
1 |
9915 |
44.2 |
-4.7 |
0.914 |
1 |
0 |
0 |
0.000 |
34 |
45 |
|
[SO4]D:217 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
10007 |
41.7 |
-3.8 |
0.955 |
1 |
0 |
0 |
0.000 |
35 |
46 |
|
[SO4]A:1001 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10007 |
40.4 |
-3.6 |
0.980 |
1 |
0 |
0 |
0.031 |
36 |
47 |
|
[SO4]E:216 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9859 |
40.4 |
-3.6 |
0.980 |
2 |
0 |
0 |
0.030 |
37 |
48 |
|
[SO4]B:216 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9915 |
39.3 |
-3.4 |
0.978 |
1 |
0 |
0 |
0.029 |
38 |
49 |
|
[SO4]D:218 |
4 |
1 |
185 |
◊ |
D |
x,x-y,-z+1/6 |
12_555 |
3 |
1 |
9885 |
38.9 |
-3.5 |
0.979 |
1 |
0 |
0 |
0.048 |
39 |
50 |
|
[GOL]D:2003 |
3 |
1 |
219 |
◊ |
D |
x,x-y,-z+1/6 |
12_555 |
6 |
2 |
9885 |
38.3 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[SO4]C:217 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10011 |
38.2 |
-3.1 |
0.980 |
1 |
0 |
0 |
0.024 |
41 |
52 |
|
[GOL]E:2001 |
3 |
1 |
227 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9859 |
28.5 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
53 |
|
[GOL]A:2001 |
4 |
1 |
226 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10007 |
27.3 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
54 |
|
[GOL]B:2002 |
3 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9915 |
25.4 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
Average: |
27.0 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[GOL]C:2001 |
3 |
1 |
225 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10011 |
25.4 |
0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[GOL]B:2001 |
2 |
1 |
219 |
f |
[SO4]D:217 |
x,y,z |
1_555 |
4 |
1 |
186 |
24.4 |
-2.6 |
0.687 |
1 |
0 |
0 |
0.038 |
44 |
57 |
|
[GOL]B:2001 |
3 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
9885 |
22.0 |
0.3 |
0.648 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[SO4]C:219 |
4 |
1 |
186 |
f |
[SO4]C:218 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.2 |
-4.7 |
0.995 |
0 |
0 |
0 |
0.032 |
46 |
59 |
|
[SO4]D:219 |
4 |
1 |
184 |
f |
[SO4]D:216 |
x,y,z |
1_555 |
4 |
1 |
185 |
20.9 |
-4.5 |
0.998 |
0 |
0 |
0 |
0.055 |
47 |
60 |
|
[GOL]D:2001 |
1 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10007 |
15.8 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
|