| ## |
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 |
|
C |
70 |
16 |
9932 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
9694 |
604.1 |
-8.8 |
0.079 |
6 |
2 |
0 |
0.205 |
2 |
|
B |
58 |
16 |
9824 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
9694 |
602.1 |
-8.5 |
0.078 |
7 |
2 |
0 |
0.205 |
3 |
|
D |
65 |
16 |
9991 |
◊ |
B |
x,y,z |
1_555 |
72 |
17 |
9824 |
599.3 |
-8.3 |
0.108 |
5 |
1 |
0 |
0.205 |
4 |
|
D |
71 |
16 |
9991 |
◊ |
C |
x,y,z |
1_555 |
65 |
17 |
9932 |
590.1 |
-7.7 |
0.131 |
5 |
0 |
0 |
0.205 |
| Average: |
598.9 |
-8.3 |
0.099 |
6 |
1 |
0 |
0.205 |
| 2 |
5 |
|
B |
46 |
14 |
9824 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
42 |
13 |
9932 |
408.7 |
-7.2 |
0.071 |
3 |
0 |
0 |
0.000 |
6 |
|
A |
44 |
15 |
9694 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
44 |
13 |
9991 |
404.9 |
-6.8 |
0.091 |
2 |
0 |
0 |
0.000 |
| Average: |
406.8 |
-7.0 |
0.081 |
3 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
30 |
10 |
9991 |
◊ |
A |
x,-y,-z |
4_555 |
28 |
7 |
9694 |
244.2 |
1.9 |
0.798 |
4 |
8 |
0 |
0.000 |
8 |
|
C |
25 |
7 |
9932 |
◊ |
C |
x,-y,-z |
4_555 |
25 |
7 |
9932 |
242.0 |
1.8 |
0.779 |
4 |
8 |
0 |
0.000 |
9 |
|
B |
26 |
6 |
9824 |
◊ |
B |
x,-y,-z |
4_555 |
26 |
6 |
9824 |
236.2 |
1.2 |
0.725 |
4 |
8 |
0 |
0.000 |
| Average: |
240.8 |
1.6 |
0.767 |
4 |
8 |
0 |
0.000 |
| 4 |
10 |
|
[0N9]C:305 |
16 |
1 |
401 |
f |
C |
x,y,z |
1_555 |
28 |
15 |
9932 |
185.8 |
2.9 |
0.686 |
3 |
0 |
0 |
0.000 |
11 |
|
[0N9]A:305 |
15 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
30 |
16 |
9694 |
170.6 |
0.6 |
0.593 |
1 |
0 |
0 |
0.000 |
12 |
|
[0N9]B:305 |
15 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
27 |
15 |
9824 |
163.9 |
1.2 |
0.591 |
3 |
0 |
0 |
0.000 |
| Average: |
173.4 |
1.6 |
0.623 |
2 |
0 |
0 |
0.000 |
| 5 |
13 |
|
[0N9]D:305 |
14 |
1 |
401 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
9991 |
180.3 |
0.8 |
0.629 |
5 |
0 |
0 |
0.006 |
| 6 |
14 |
|
C |
26 |
7 |
9932 |
◊ |
A |
x,-y,-z |
4_555 |
17 |
8 |
9694 |
162.6 |
1.9 |
0.782 |
1 |
2 |
0 |
0.000 |
15 |
|
D |
21 |
9 |
9991 |
◊ |
B |
x,-y,-z |
4_555 |
19 |
7 |
9824 |
161.1 |
1.5 |
0.780 |
0 |
0 |
0 |
0.000 |
| Average: |
161.8 |
1.7 |
0.781 |
1 |
1 |
0 |
0.000 |
| 7 |
16 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
9694 |
98.1 |
-14.7 |
0.734 |
4 |
0 |
0 |
0.076 |
| 8 |
17 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9824 |
98.0 |
-14.0 |
0.757 |
4 |
0 |
0 |
0.073 |
| 9 |
18 |
|
[SO4]D:302 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
9991 |
95.7 |
-14.6 |
0.676 |
4 |
0 |
0 |
0.076 |
| 10 |
19 |
|
[SO4]A:301 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
9694 |
94.5 |
-11.7 |
0.891 |
4 |
0 |
0 |
0.063 |
| 11 |
20 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
9932 |
93.7 |
-13.8 |
0.643 |
2 |
0 |
0 |
0.068 |
| 12 |
21 |
|
[SO4]D:301 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9991 |
91.4 |
-11.8 |
0.902 |
3 |
0 |
0 |
0.061 |
| 13 |
22 |
|
[SO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9824 |
91.1 |
-12.0 |
0.848 |
4 |
0 |
0 |
0.064 |
| 14 |
23 |
|
[SO4]C:301 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9932 |
78.7 |
-9.4 |
0.918 |
3 |
0 |
0 |
0.050 |
| 15 |
24 |
|
[MN]A:303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9694 |
50.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.062 |
25 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9824 |
50.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
26 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
9991 |
49.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.062 |
27 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9932 |
48.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
49.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
| 16 |
28 |
|
C |
8 |
2 |
9932 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
8 |
2 |
9932 |
48.4 |
1.2 |
0.805 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
9694 |
47.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.066 |
30 |
|
[MN]C:303 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
9932 |
45.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.066 |
31 |
|
[MN]B:303 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9824 |
45.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.066 |
32 |
|
[MN]D:303 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
8 |
5 |
9991 |
45.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
45.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.066 |
| 18 |
33 |
|
[0N9]C:305 |
4 |
1 |
401 |
f |
[MN]C:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.061 |
34 |
|
[0N9]A:305 |
3 |
1 |
397 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.061 |
35 |
|
[0N9]D:305 |
4 |
1 |
401 |
f |
[MN]D:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.061 |
36 |
|
[0N9]B:305 |
3 |
1 |
402 |
f |
[MN]B:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
37.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.061 |
| 19 |
37 |
|
[0N9]C:305 |
4 |
1 |
401 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
36.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.041 |
38 |
|
[0N9]B:305 |
4 |
1 |
402 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.041 |
39 |
|
[0N9]D:305 |
4 |
1 |
401 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
40 |
|
[0N9]A:305 |
4 |
1 |
397 |
f |
[MN]A:304 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
34.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.041 |
| 20 |
41 |
|
[MN]B:304 |
1 |
1 |
123 |
f |
[MN]B:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 21 |
42 |
|
[MN]C:304 |
1 |
1 |
123 |
f |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 22 |
43 |
|
[MN]A:304 |
1 |
1 |
123 |
f |
[MN]A:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 23 |
44 |
|
[MN]D:304 |
1 |
1 |
123 |
f |
[MN]D:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 24 |
45 |
|
A |
2 |
1 |
9694 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
9694 |
11.4 |
0.5 |
0.838 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
D |
1 |
1 |
9991 |
◊ |
D |
-x-1,y,-z+1/2 |
3_455 |
1 |
1 |
9991 |
10.0 |
0.7 |
0.943 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
B |
1 |
1 |
9824 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
9932 |
6.3 |
0.3 |
0.803 |
0 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[SO4]B:301 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9694 |
4.3 |
-0.4 |
0.898 |
0 |
0 |
0 |
0.002 |
|