## |
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 |
|
A |
210 |
56 |
13337 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
210 |
56 |
13337 |
1889.6 |
-21.8 |
0.078 |
16 |
8 |
0 |
0.185 |
2 |
2 |
|
B |
149 |
41 |
11316 |
◊ |
A |
x,y,z |
1_555 |
146 |
42 |
13337 |
1402.8 |
-14.2 |
0.129 |
8 |
4 |
0 |
0.136 |
3 |
3 |
|
B |
80 |
20 |
11316 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
81 |
20 |
11316 |
691.8 |
2.0 |
0.774 |
4 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
46 |
14 |
11316 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
45 |
11 |
11316 |
417.1 |
1.1 |
0.696 |
7 |
5 |
0 |
0.000 |
5 |
5 |
|
[ANP]B:501 |
31 |
1 |
631 |
f |
B |
x,y,z |
1_555 |
49 |
21 |
11316 |
373.9 |
-2.8 |
0.431 |
12 |
0 |
0 |
0.117 |
6 |
|
[ANP]A:301 |
31 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
13337 |
362.9 |
-2.3 |
0.520 |
12 |
0 |
0 |
0.117 |
Average: |
368.4 |
-2.6 |
0.476 |
12 |
0 |
0 |
0.117 |
6 |
7 |
|
B |
41 |
15 |
11316 |
◊ |
B |
-x+2,y,-z+3/2 |
3_756 |
40 |
14 |
11316 |
371.8 |
-10.2 |
0.012 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
25 |
8 |
13337 |
x |
A |
x-1,y,z |
1_455 |
34 |
13 |
13337 |
292.7 |
0.8 |
0.722 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
26 |
11 |
13337 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
26 |
11 |
13337 |
221.2 |
-2.6 |
0.333 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
17 |
4 |
13337 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
17 |
4 |
13337 |
163.4 |
-2.5 |
0.253 |
0 |
0 |
0 |
0.018 |
10 |
11 |
|
B |
15 |
4 |
11316 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
4 |
13337 |
140.4 |
0.5 |
0.690 |
3 |
2 |
0 |
0.000 |
11 |
12 |
|
[ANP]B:501 |
10 |
1 |
631 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
13337 |
119.5 |
-0.3 |
0.571 |
3 |
0 |
0 |
0.024 |
13 |
|
[ANP]A:301 |
10 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
11316 |
109.9 |
-0.3 |
0.559 |
3 |
0 |
0 |
0.024 |
Average: |
114.7 |
-0.3 |
0.565 |
3 |
0 |
0 |
0.024 |
12 |
14 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13337 |
99.6 |
-15.3 |
0.742 |
6 |
0 |
0 |
0.256 |
13 |
15 |
|
[SO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13337 |
95.3 |
-13.5 |
0.782 |
2 |
0 |
0 |
0.205 |
14 |
16 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11316 |
92.5 |
-15.0 |
0.495 |
1 |
0 |
0 |
0.114 |
15 |
17 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13337 |
74.8 |
-11.2 |
0.719 |
1 |
0 |
0 |
0.166 |
16 |
18 |
|
B |
9 |
4 |
11316 |
f |
[SO4]B:503 |
x-1/2,-y+1/2,-z+1 |
8_456 |
5 |
1 |
185 |
72.5 |
-11.0 |
0.688 |
2 |
0 |
0 |
0.088 |
17 |
19 |
|
[SO4]B:503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11316 |
65.6 |
-8.7 |
0.836 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
B |
6 |
1 |
11316 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
11316 |
59.6 |
0.6 |
0.741 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[SO4]A:304 |
4 |
1 |
185 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
5 |
2 |
13337 |
46.6 |
-4.2 |
0.956 |
2 |
0 |
0 |
0.063 |
20 |
22 |
|
[MG]A:305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13337 |
41.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.078 |
23 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11316 |
41.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
41.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.078 |
21 |
24 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
[ANP]B:501 |
x,y,z |
1_555 |
4 |
1 |
631 |
32.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.064 |
25 |
|
[MG]A:305 |
1 |
1 |
98 |
f |
[ANP]A:301 |
x,y,z |
1_555 |
4 |
1 |
630 |
31.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
31.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.064 |
22 |
26 |
|
[SO4]A:303 |
4 |
1 |
186 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
13337 |
32.0 |
-3.8 |
0.938 |
2 |
0 |
0 |
0.067 |
23 |
27 |
|
[SO4]B:502 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13337 |
30.3 |
-2.2 |
0.971 |
1 |
0 |
0 |
0.020 |
24 |
28 |
|
[SO4]A:303 |
4 |
1 |
186 |
◊ |
[SO4]A:303 |
-x+1,y,-z+1/2 |
3_655 |
4 |
1 |
186 |
27.1 |
-5.9 |
0.998 |
0 |
0 |
0 |
0.042 |
25 |
29 |
|
[SO4]B:502 |
4 |
1 |
184 |
◊ |
[ANP]A:301 |
x,y,z |
1_555 |
5 |
1 |
630 |
27.0 |
-3.7 |
0.655 |
0 |
0 |
0 |
0.027 |
26 |
30 |
|
[MG]A:305 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11316 |
5.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
31 |
|
[MG]B:504 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13337 |
5.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
5.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
|