## |
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 |
|
D |
215 |
64 |
17782 |
◊ |
C |
x,y,z |
1_555 |
211 |
64 |
18047 |
2060.4 |
-14.8 |
0.356 |
38 |
12 |
0 |
0.075 |
2 |
|
B |
216 |
64 |
17837 |
◊ |
A |
x,y,z |
1_555 |
221 |
64 |
17696 |
2055.9 |
-15.3 |
0.348 |
36 |
12 |
0 |
0.075 |
Average: |
2058.2 |
-15.0 |
0.352 |
37 |
12 |
0 |
0.075 |
2 |
3 |
|
C |
182 |
42 |
18047 |
◊ |
A |
x,y,z |
1_555 |
186 |
42 |
17696 |
1843.2 |
-17.3 |
0.185 |
34 |
11 |
0 |
0.148 |
4 |
|
D |
179 |
41 |
17782 |
◊ |
B |
x,y,z |
1_555 |
180 |
42 |
17837 |
1795.5 |
-15.5 |
0.270 |
34 |
11 |
0 |
0.148 |
Average: |
1819.3 |
-16.4 |
0.228 |
34 |
11 |
0 |
0.148 |
3 |
5 |
|
D |
54 |
13 |
17782 |
◊ |
A |
x,y,z |
1_555 |
54 |
13 |
17696 |
491.7 |
0.2 |
0.790 |
6 |
2 |
0 |
0.006 |
6 |
|
C |
52 |
13 |
18047 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
17837 |
487.1 |
0.2 |
0.763 |
7 |
2 |
0 |
0.006 |
Average: |
489.4 |
0.2 |
0.776 |
7 |
2 |
0 |
0.006 |
4 |
7 |
|
B |
38 |
10 |
17837 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
47 |
18 |
17696 |
378.9 |
-0.5 |
0.600 |
6 |
1 |
0 |
0.000 |
8 |
|
D |
45 |
17 |
17782 |
◊ |
C |
-y+3/2,x-1/2,z+1/4 |
3_645 |
38 |
10 |
18047 |
367.6 |
-0.2 |
0.599 |
6 |
0 |
0 |
0.000 |
Average: |
373.3 |
-0.4 |
0.599 |
6 |
1 |
0 |
0.000 |
5 |
9 |
|
C |
38 |
14 |
18047 |
◊ |
A |
y+1,x-1,-z-1 |
7_644 |
32 |
10 |
17696 |
277.4 |
-0.3 |
0.579 |
1 |
4 |
0 |
0.000 |
6 |
10 |
|
C |
19 |
5 |
18047 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
4 |
17837 |
148.6 |
-0.8 |
0.563 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[SO4]A:500 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
17696 |
112.4 |
-17.0 |
0.799 |
8 |
0 |
0 |
0.177 |
12 |
|
[SO4]D:500 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
17782 |
112.3 |
-16.9 |
0.802 |
7 |
0 |
0 |
0.177 |
13 |
|
[SO4]B:500 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
17837 |
111.4 |
-16.9 |
0.799 |
7 |
0 |
0 |
0.177 |
14 |
|
[SO4]C:500 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
18047 |
110.5 |
-16.6 |
0.808 |
8 |
0 |
0 |
0.177 |
Average: |
111.6 |
-16.9 |
0.802 |
8 |
0 |
0 |
0.177 |
8 |
15 |
|
[SO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
17696 |
107.9 |
-15.7 |
0.883 |
6 |
0 |
0 |
0.156 |
16 |
|
[SO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
18047 |
106.2 |
-15.0 |
0.909 |
6 |
0 |
0 |
0.156 |
17 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
17837 |
106.1 |
-15.9 |
0.865 |
5 |
0 |
0 |
0.156 |
18 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
17782 |
99.0 |
-14.7 |
0.856 |
5 |
0 |
0 |
0.156 |
Average: |
104.8 |
-15.3 |
0.878 |
6 |
0 |
0 |
0.156 |
9 |
19 |
|
[K]A:1471 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
17837 |
93.7 |
-56.7 |
0.000 |
0 |
0 |
0 |
0.500 |
20 |
|
[K]C:1472 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
17782 |
93.6 |
-56.5 |
0.000 |
0 |
0 |
0 |
0.500 |
21 |
|
[K]D:1471 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
18047 |
93.5 |
-57.0 |
0.000 |
0 |
0 |
0 |
0.500 |
22 |
|
[K]B:1472 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
17696 |
92.5 |
-56.2 |
0.000 |
0 |
0 |
0 |
0.500 |
Average: |
93.3 |
-56.6 |
0.000 |
0 |
0 |
0 |
0.500 |
10 |
23 |
|
[K]C:1473 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
18047 |
82.1 |
-55.3 |
0.000 |
0 |
0 |
0 |
0.243 |
24 |
|
[K]A:1472 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17696 |
81.8 |
-54.2 |
0.000 |
0 |
0 |
0 |
0.243 |
25 |
|
[K]A:1472 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
17837 |
81.5 |
-53.6 |
0.000 |
0 |
0 |
0 |
0.243 |
26 |
|
[K]C:1473 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
17782 |
81.3 |
-52.7 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
81.7 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.243 |
11 |
27 |
|
[K]A:1471 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
17696 |
79.6 |
-52.3 |
0.000 |
0 |
0 |
0 |
0.236 |
28 |
|
[K]C:1472 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
18047 |
79.2 |
-52.6 |
0.000 |
0 |
0 |
0 |
0.236 |
29 |
|
[K]D:1471 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
17782 |
79.1 |
-52.0 |
0.000 |
0 |
0 |
0 |
0.236 |
30 |
|
[K]B:1472 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
17837 |
79.0 |
-52.8 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
79.2 |
-52.4 |
0.000 |
0 |
0 |
0 |
0.236 |
12 |
31 |
|
D |
12 |
7 |
17782 |
◊ |
A |
-y+3/2,x-1/2,z-3/4 |
3_644 |
9 |
5 |
17696 |
79.0 |
1.1 |
0.848 |
3 |
0 |
0 |
0.000 |
13 |
32 |
|
A |
8 |
4 |
17696 |
◊ |
A |
y+1,x-1,-z-1 |
7_644 |
8 |
4 |
17696 |
38.0 |
1.0 |
0.849 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
B |
3 |
1 |
17837 |
◊ |
B |
y+1,x-1,-z |
7_645 |
4 |
2 |
17837 |
17.5 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
[SO4]C:500 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
17782 |
14.2 |
-1.7 |
0.816 |
0 |
0 |
0 |
0.008 |
35 |
|
[SO4]A:500 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17837 |
14.0 |
-1.7 |
0.818 |
0 |
0 |
0 |
0.008 |
36 |
|
[SO4]D:500 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
18047 |
13.8 |
-1.7 |
0.817 |
0 |
0 |
0 |
0.008 |
37 |
|
[SO4]B:500 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17696 |
13.6 |
-1.7 |
0.823 |
0 |
0 |
0 |
0.008 |
Average: |
13.9 |
-1.7 |
0.819 |
0 |
0 |
0 |
0.008 |
16 |
38 |
|
[SO4]C:501 |
1 |
1 |
186 |
f |
[SO4]C:500 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.7 |
-3.0 |
0.891 |
0 |
0 |
0 |
0.026 |
39 |
|
[SO4]B:501 |
1 |
1 |
185 |
f |
[SO4]B:500 |
x,y,z |
1_555 |
2 |
1 |
186 |
12.5 |
-3.0 |
0.876 |
0 |
0 |
0 |
0.026 |
40 |
|
[SO4]D:501 |
1 |
1 |
185 |
f |
[SO4]D:500 |
x,y,z |
1_555 |
2 |
1 |
186 |
12.3 |
-2.9 |
0.876 |
0 |
0 |
0 |
0.026 |
41 |
|
[SO4]A:501 |
1 |
1 |
186 |
f |
[SO4]A:500 |
x,y,z |
1_555 |
2 |
1 |
187 |
12.2 |
-2.9 |
0.876 |
0 |
0 |
0 |
0.026 |
Average: |
12.4 |
-3.0 |
0.880 |
0 |
0 |
0 |
0.026 |
17 |
42 |
|
[SO4]A:501 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17837 |
0.5 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
43 |
|
[SO4]D:501 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18047 |
0.5 |
-0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
44 |
|
[SO4]C:501 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17782 |
0.3 |
-0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
Average: |
0.4 |
-0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
|