| ## |
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 |
173 |
41 |
10367 |
◊ |
B |
-x,y,-z+1 |
3_556 |
172 |
41 |
10367 |
1664.5 |
-9.9 |
0.409 |
20 |
6 |
0 |
0.387 |
2 |
|
E |
172 |
44 |
10228 |
◊ |
A |
x,y,z |
1_555 |
169 |
42 |
10480 |
1631.9 |
-9.1 |
0.394 |
12 |
5 |
0 |
0.387 |
3 |
|
D |
179 |
43 |
9874 |
◊ |
C |
x,y,z |
1_555 |
163 |
40 |
10181 |
1614.9 |
-10.4 |
0.354 |
13 |
6 |
0 |
0.387 |
| Average: |
1637.1 |
-9.8 |
0.386 |
15 |
6 |
0 |
0.387 |
| 2 |
4 |
|
B |
174 |
40 |
10367 |
◊ |
B |
x,-y,-z+1 |
4_556 |
174 |
40 |
10367 |
1625.0 |
-24.0 |
0.038 |
20 |
10 |
0 |
0.599 |
5 |
|
D |
162 |
38 |
9874 |
◊ |
A |
x,y,z |
1_555 |
167 |
40 |
10480 |
1619.3 |
-23.6 |
0.035 |
19 |
5 |
0 |
0.599 |
6 |
|
E |
158 |
36 |
10228 |
◊ |
C |
x,y,z |
1_555 |
160 |
38 |
10181 |
1567.7 |
-23.9 |
0.020 |
20 |
5 |
0 |
0.599 |
| Average: |
1604.0 |
-23.8 |
0.031 |
20 |
7 |
0 |
0.599 |
| 3 |
7 |
|
B |
91 |
27 |
10367 |
◊ |
A |
x,y,z |
1_555 |
90 |
29 |
10480 |
821.3 |
-3.7 |
0.536 |
8 |
4 |
0 |
0.000 |
8 |
|
C |
80 |
25 |
10181 |
◊ |
C |
-x+1/2,-y+1/2,z |
6_555 |
81 |
25 |
10181 |
761.7 |
-6.1 |
0.340 |
6 |
4 |
0 |
0.000 |
| Average: |
791.5 |
-4.9 |
0.438 |
7 |
4 |
0 |
0.000 |
| 4 |
9 |
|
E |
71 |
22 |
10228 |
◊ |
D |
x,y,z |
1_555 |
85 |
24 |
9874 |
693.2 |
3.1 |
0.772 |
7 |
3 |
0 |
0.017 |
10 |
|
C |
67 |
21 |
10181 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
10480 |
589.0 |
1.3 |
0.741 |
6 |
2 |
0 |
0.017 |
11 |
|
B |
62 |
21 |
10367 |
◊ |
B |
-x,-y,z |
2_555 |
62 |
21 |
10367 |
584.2 |
0.6 |
0.721 |
4 |
2 |
0 |
0.017 |
| Average: |
622.1 |
1.7 |
0.745 |
6 |
2 |
0 |
0.017 |
| 5 |
12 |
|
D |
60 |
16 |
9874 |
◊ |
D |
-x,y,-z |
3_555 |
60 |
16 |
9874 |
484.1 |
-1.6 |
0.578 |
4 |
2 |
0 |
0.000 |
| 6 |
13 |
|
E |
28 |
9 |
10228 |
◊ |
D |
-x,y,-z |
3_555 |
32 |
9 |
9874 |
288.3 |
-1.5 |
0.480 |
4 |
0 |
0 |
0.037 |
| 7 |
14 |
|
E |
13 |
4 |
10228 |
◊ |
C |
-x+1/2,-y+1/2,z |
6_555 |
18 |
6 |
10181 |
136.6 |
0.8 |
0.615 |
0 |
1 |
0 |
0.000 |
15 |
|
D |
13 |
4 |
9874 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
10367 |
129.8 |
0.6 |
0.582 |
0 |
1 |
0 |
0.000 |
16 |
|
B |
13 |
4 |
10367 |
◊ |
A |
x,-y,-z+1 |
4_556 |
15 |
6 |
10480 |
120.6 |
0.5 |
0.567 |
0 |
1 |
0 |
0.000 |
| Average: |
129.0 |
0.7 |
0.588 |
0 |
1 |
0 |
0.000 |
| 8 |
17 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
10181 |
106.7 |
-16.3 |
0.768 |
2 |
0 |
0 |
0.276 |
| 9 |
18 |
|
[EDO]E:202 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
10228 |
94.4 |
1.7 |
0.390 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
22 |
6 |
9874 |
93.2 |
-11.9 |
0.759 |
2 |
0 |
0 |
0.234 |
| 11 |
20 |
|
E |
11 |
5 |
10228 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
10367 |
92.1 |
0.7 |
0.711 |
1 |
0 |
0 |
0.000 |
21 |
|
B |
10 |
4 |
10367 |
◊ |
A |
-x,y,-z+1 |
3_556 |
12 |
4 |
10480 |
77.8 |
1.7 |
0.808 |
3 |
0 |
0 |
0.000 |
22 |
|
D |
10 |
5 |
9874 |
◊ |
C |
-x+1/2,-y+1/2,z |
6_555 |
10 |
5 |
10181 |
66.6 |
1.0 |
0.752 |
1 |
0 |
0 |
0.000 |
| Average: |
78.8 |
1.1 |
0.757 |
2 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[EDO]E:203 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
10480 |
92.0 |
3.3 |
0.545 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[SO4]E:201 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
10228 |
91.5 |
-14.8 |
0.818 |
3 |
0 |
0 |
0.260 |
| 14 |
25 |
|
[EDO]D:202 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
10181 |
90.9 |
3.3 |
0.545 |
2 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10367 |
90.9 |
-14.7 |
0.796 |
2 |
0 |
0 |
0.613 |
| 16 |
27 |
|
[EDO]D:202 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
9874 |
66.3 |
2.5 |
0.310 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[EDO]E:203 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
10228 |
65.3 |
2.3 |
0.305 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[EDO]E:202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10480 |
64.8 |
0.9 |
0.538 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[SO4]C:201 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
10181 |
63.0 |
-8.3 |
0.818 |
2 |
0 |
0 |
0.147 |
| 20 |
31 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
9874 |
45.0 |
-5.2 |
0.878 |
1 |
0 |
0 |
0.102 |
| 21 |
32 |
|
A |
6 |
2 |
10480 |
◊ |
A |
-x,y,-z |
3_555 |
6 |
2 |
10480 |
44.1 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10480 |
40.8 |
-4.5 |
0.879 |
0 |
0 |
0 |
0.081 |
| 23 |
34 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
[SO4]B:202 |
-x,-y,z |
2_555 |
5 |
1 |
185 |
37.6 |
-7.9 |
0.993 |
0 |
0 |
0 |
0.063 |
| 24 |
35 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
[SO4]B:202 |
-x,y,-z+1 |
3_556 |
5 |
1 |
185 |
33.4 |
-7.3 |
0.993 |
0 |
0 |
0 |
0.058 |
| 25 |
36 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
10228 |
33.3 |
-3.4 |
0.892 |
0 |
0 |
0 |
0.021 |
| 26 |
37 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
[SO4]B:202 |
x,-y,-z+1 |
4_556 |
5 |
1 |
185 |
33.3 |
-7.3 |
0.993 |
0 |
0 |
0 |
0.058 |
| 27 |
38 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
10181 |
31.0 |
-2.9 |
0.895 |
0 |
0 |
0 |
0.046 |
| 28 |
39 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
B |
x,-y,-z+1 |
4_556 |
7 |
3 |
10367 |
25.6 |
-2.3 |
0.886 |
1 |
0 |
0 |
0.043 |
| 29 |
40 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
B |
-x,y,-z+1 |
3_556 |
7 |
3 |
10367 |
25.3 |
-2.4 |
0.878 |
1 |
0 |
0 |
0.045 |
| 30 |
41 |
|
[SO4]C:202 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
9874 |
23.9 |
-2.4 |
0.852 |
0 |
0 |
0 |
0.039 |
| 31 |
42 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10367 |
21.8 |
-1.5 |
0.885 |
0 |
0 |
0 |
0.024 |
| 32 |
43 |
|
D |
4 |
2 |
9874 |
◊ |
A |
-x,y,-z |
3_555 |
4 |
3 |
10480 |
21.6 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
B |
-x,-y,z |
2_555 |
7 |
2 |
10367 |
20.5 |
-1.4 |
0.885 |
0 |
0 |
0 |
0.023 |
| 34 |
45 |
|
A |
1 |
1 |
10480 |
◊ |
A |
-x,y,-z+1 |
3_556 |
1 |
1 |
10480 |
7.2 |
-0.2 |
0.321 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
[SO4]B:201 |
1 |
1 |
186 |
◊ |
A |
-x,y,-z+1 |
3_556 |
1 |
1 |
10480 |
3.0 |
-0.3 |
0.845 |
0 |
0 |
0 |
0.000 |
| 36 |
47 |
|
[SO4]E:201 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10367 |
0.6 |
-0.1 |
0.815 |
0 |
0 |
0 |
0.000 |
|