| ## |
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 |
|
O |
195 |
54 |
15016 |
◊ |
O |
-x+1,y,-z+2 |
2_657 |
192 |
54 |
15016 |
2029.8 |
-32.6 |
0.002 |
30 |
32 |
0 |
0.483 |
2 |
|
Q |
195 |
55 |
14984 |
◊ |
Q |
-x+1,y,-z+2 |
2_657 |
192 |
55 |
14984 |
2017.1 |
-33.0 |
0.002 |
32 |
32 |
0 |
0.483 |
3 |
|
C |
199 |
54 |
14842 |
◊ |
A |
-x,y,-z+1 |
2_556 |
193 |
54 |
15071 |
2010.4 |
-33.0 |
0.002 |
29 |
31 |
0 |
0.483 |
| Average: |
2019.1 |
-32.9 |
0.002 |
30 |
32 |
0 |
0.483 |
| 2 |
4 |
|
A |
142 |
38 |
15071 |
◊ |
A |
-x,y,-z+1 |
2_556 |
140 |
38 |
15071 |
1381.3 |
-20.0 |
0.025 |
22 |
6 |
0 |
0.312 |
5 |
|
Q |
138 |
37 |
14984 |
◊ |
O |
-x+1,y,-z+2 |
2_657 |
137 |
37 |
15016 |
1370.7 |
-17.8 |
0.048 |
18 |
3 |
0 |
0.312 |
6 |
|
C |
136 |
37 |
14842 |
◊ |
C |
-x,y,-z+1 |
2_556 |
133 |
37 |
14842 |
1336.4 |
-18.0 |
0.051 |
16 |
0 |
0 |
0.312 |
| Average: |
1362.8 |
-18.6 |
0.041 |
19 |
3 |
0 |
0.312 |
| 3 |
7 |
|
[NAD]A:5336 |
43 |
1 |
834 |
f |
A |
x,y,z |
1_555 |
80 |
31 |
15071 |
552.1 |
-5.0 |
0.443 |
8 |
0 |
0 |
0.191 |
8 |
|
[NAD]O:1336 |
40 |
1 |
835 |
f |
O |
x,y,z |
1_555 |
81 |
31 |
15016 |
549.9 |
-4.9 |
0.451 |
8 |
0 |
0 |
0.191 |
9 |
|
[NAD]Q:3336 |
40 |
1 |
838 |
f |
Q |
x,y,z |
1_555 |
77 |
30 |
14984 |
548.5 |
-5.2 |
0.434 |
8 |
0 |
0 |
0.191 |
10 |
|
[NAD]C:7336 |
42 |
1 |
836 |
f |
C |
x,y,z |
1_555 |
82 |
31 |
14842 |
541.2 |
-4.0 |
0.559 |
8 |
0 |
0 |
0.191 |
| Average: |
547.9 |
-4.8 |
0.472 |
8 |
0 |
0 |
0.191 |
| 4 |
11 |
|
C |
60 |
16 |
14842 |
◊ |
A |
x,y,z |
1_555 |
65 |
17 |
15071 |
508.6 |
2.2 |
0.805 |
7 |
0 |
0 |
0.014 |
12 |
|
Q |
60 |
16 |
14984 |
◊ |
O |
x,y,z |
1_555 |
58 |
14 |
15016 |
491.4 |
0.3 |
0.688 |
5 |
1 |
0 |
0.014 |
| Average: |
500.0 |
1.3 |
0.746 |
6 |
1 |
0 |
0.014 |
| 5 |
13 |
|
O |
25 |
8 |
15016 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
4_547 |
32 |
12 |
14842 |
255.2 |
2.2 |
0.807 |
6 |
2 |
0 |
0.000 |
| 6 |
14 |
|
C |
34 |
9 |
14842 |
◊ |
Q |
x-1/2,y-1/2,z |
3_445 |
28 |
8 |
14984 |
243.9 |
1.1 |
0.739 |
0 |
0 |
0 |
0.000 |
| 7 |
15 |
|
Q |
35 |
15 |
14984 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
30 |
13 |
15071 |
229.4 |
0.8 |
0.708 |
0 |
6 |
0 |
0.000 |
| 8 |
16 |
|
O |
24 |
6 |
15016 |
◊ |
Q |
x,y-1,z |
1_545 |
25 |
6 |
14984 |
214.2 |
1.2 |
0.756 |
2 |
2 |
0 |
0.000 |
| 9 |
17 |
|
Q |
22 |
5 |
14984 |
◊ |
C |
x,y,z |
1_555 |
24 |
6 |
14842 |
189.2 |
-2.7 |
0.293 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
Q |
24 |
10 |
14984 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
15071 |
180.4 |
0.1 |
0.642 |
0 |
1 |
0 |
0.000 |
19 |
|
O |
20 |
9 |
15016 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
14842 |
152.4 |
-0.0 |
0.620 |
1 |
1 |
0 |
0.000 |
| Average: |
166.4 |
0.0 |
0.631 |
1 |
1 |
0 |
0.000 |
| 11 |
20 |
|
O |
23 |
8 |
15016 |
x |
O |
-x+1/2,y-1/2,-z+2 |
4_547 |
17 |
6 |
15016 |
170.1 |
1.3 |
0.754 |
4 |
2 |
0 |
0.000 |
| 12 |
21 |
|
A |
17 |
7 |
15071 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
7 |
15071 |
126.4 |
-0.5 |
0.536 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
12 |
6 |
14842 |
◊ |
O |
x-1/2,y+1/2,z |
3_455 |
15 |
6 |
15016 |
89.7 |
0.7 |
0.680 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[NAD]C:7336 |
8 |
1 |
836 |
◊ |
C |
-x,y,-z+1 |
2_556 |
8 |
4 |
14842 |
76.0 |
-4.1 |
0.152 |
0 |
0 |
0 |
0.091 |
24 |
|
[NAD]A:5336 |
8 |
1 |
834 |
◊ |
A |
-x,y,-z+1 |
2_556 |
9 |
4 |
15071 |
74.8 |
-4.1 |
0.153 |
0 |
0 |
0 |
0.091 |
25 |
|
[NAD]Q:3336 |
9 |
1 |
838 |
◊ |
O |
-x+1,y,-z+2 |
2_657 |
9 |
4 |
15016 |
74.4 |
-4.1 |
0.177 |
0 |
0 |
0 |
0.091 |
26 |
|
[NAD]O:1336 |
8 |
1 |
835 |
◊ |
Q |
-x+1,y,-z+2 |
2_657 |
9 |
4 |
14984 |
74.1 |
-4.1 |
0.166 |
0 |
0 |
0 |
0.091 |
| Average: |
74.8 |
-4.1 |
0.162 |
0 |
0 |
0 |
0.091 |
| 15 |
27 |
|
[SO4]A:5338 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15071 |
75.8 |
-11.2 |
0.773 |
4 |
0 |
0 |
0.265 |
| 16 |
28 |
|
[SO4]O:1338 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
11 |
5 |
15016 |
74.9 |
-10.5 |
0.806 |
4 |
0 |
0 |
0.229 |
| 17 |
29 |
|
[SO4]Q:3338 |
5 |
1 |
185 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
14984 |
73.3 |
-10.4 |
0.798 |
3 |
0 |
0 |
0.218 |
| 18 |
30 |
|
[SO4]C:7338 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14842 |
72.9 |
-10.5 |
0.809 |
4 |
0 |
0 |
0.276 |
| 19 |
31 |
|
[NAD]C:7336 |
9 |
1 |
836 |
f |
[SO4]C:7338 |
x,y,z |
1_555 |
4 |
1 |
186 |
53.9 |
-8.0 |
0.684 |
0 |
0 |
0 |
0.180 |
| 20 |
32 |
|
[NAD]A:5336 |
9 |
1 |
834 |
f |
[SO4]A:5338 |
x,y,z |
1_555 |
4 |
1 |
186 |
53.1 |
-8.1 |
0.655 |
0 |
0 |
0 |
0.165 |
| 21 |
33 |
|
[NAD]O:1336 |
12 |
1 |
835 |
f |
[SO4]O:1338 |
x,y,z |
1_555 |
4 |
1 |
186 |
50.0 |
-7.4 |
0.726 |
0 |
0 |
0 |
0.163 |
34 |
|
[NAD]Q:3336 |
10 |
1 |
838 |
f |
[SO4]Q:3338 |
x,y,z |
1_555 |
4 |
1 |
185 |
48.6 |
-7.3 |
0.692 |
0 |
0 |
0 |
0.163 |
| Average: |
49.3 |
-7.4 |
0.709 |
0 |
0 |
0 |
0.163 |
| 22 |
35 |
|
C |
6 |
3 |
14842 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
15071 |
38.3 |
1.3 |
0.852 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
O |
4 |
1 |
15016 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
15071 |
35.2 |
0.9 |
0.785 |
1 |
1 |
0 |
0.000 |
| 24 |
37 |
|
O |
5 |
3 |
15016 |
◊ |
Q |
-x+1/2,y-1/2,-z+2 |
4_547 |
6 |
3 |
14984 |
33.9 |
1.2 |
0.836 |
0 |
1 |
0 |
0.000 |
| 25 |
38 |
|
O |
4 |
1 |
15016 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
4 |
3 |
15071 |
14.8 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
|