## |
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 |
139 |
37 |
10835 |
◊ |
A |
x,y,z |
1_555 |
141 |
38 |
10887 |
1373.1 |
-9.1 |
0.297 |
5 |
11 |
0 |
0.065 |
2 |
2 |
|
D |
143 |
36 |
9981 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
121 |
36 |
11052 |
1329.5 |
-12.5 |
0.091 |
12 |
7 |
0 |
0.108 |
3 |
3 |
|
B |
52 |
13 |
10835 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
65 |
16 |
11052 |
545.3 |
-4.7 |
0.298 |
7 |
4 |
0 |
0.031 |
4 |
4 |
|
D |
67 |
14 |
9981 |
◊ |
C |
x,y,z |
1_555 |
60 |
13 |
11052 |
525.7 |
-2.6 |
0.444 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
49 |
13 |
10835 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
50 |
13 |
10887 |
479.9 |
-3.2 |
0.385 |
7 |
0 |
0 |
0.000 |
6 |
6 |
|
D |
47 |
12 |
9981 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
41 |
11 |
10887 |
418.7 |
-5.2 |
0.187 |
5 |
3 |
0 |
0.000 |
7 |
7 |
|
[CI3]C:801 |
26 |
1 |
600 |
f |
C |
x,y,z |
1_555 |
64 |
25 |
11052 |
397.4 |
-10.6 |
0.501 |
5 |
0 |
0 |
0.073 |
8 |
8 |
|
[CI3]D:801 |
26 |
1 |
609 |
f |
D |
x,y,z |
1_555 |
58 |
20 |
9981 |
393.9 |
-11.0 |
0.460 |
6 |
0 |
0 |
0.079 |
9 |
9 |
|
[CI3]B:801 |
26 |
1 |
606 |
f |
B |
x,y,z |
1_555 |
54 |
18 |
10835 |
376.1 |
-6.6 |
0.685 |
5 |
0 |
0 |
0.098 |
10 |
|
[CI3]A:801 |
26 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
10887 |
357.6 |
-7.6 |
0.609 |
7 |
0 |
0 |
0.098 |
Average: |
366.9 |
-7.1 |
0.647 |
6 |
0 |
0 |
0.098 |
10 |
11 |
|
A |
34 |
9 |
10887 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
35 |
9 |
10835 |
319.9 |
-1.6 |
0.472 |
2 |
7 |
0 |
0.000 |
11 |
12 |
|
D |
30 |
8 |
9981 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
10835 |
293.8 |
-4.0 |
0.170 |
1 |
1 |
0 |
0.012 |
12 |
13 |
|
C |
29 |
6 |
11052 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
10887 |
287.6 |
-3.0 |
0.258 |
1 |
1 |
0 |
0.000 |
13 |
14 |
|
A |
32 |
10 |
10887 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
10 |
11052 |
278.5 |
-0.5 |
0.531 |
3 |
0 |
0 |
0.000 |
14 |
15 |
|
A |
20 |
8 |
10887 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
10 |
10835 |
248.8 |
-4.5 |
0.120 |
5 |
0 |
0 |
0.000 |
15 |
16 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
10887 |
108.4 |
-16.8 |
0.702 |
6 |
0 |
0 |
0.097 |
16 |
17 |
|
[SO4]B:404 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10835 |
108.3 |
-16.6 |
0.729 |
4 |
0 |
0 |
0.092 |
17 |
18 |
|
[SO4]C:403 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
11052 |
100.9 |
-15.6 |
0.742 |
4 |
0 |
0 |
0.100 |
18 |
19 |
|
[SO4]C:402 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11052 |
99.2 |
-14.4 |
0.774 |
5 |
0 |
0 |
0.096 |
19 |
20 |
|
[SO4]B:403 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
10835 |
97.6 |
-15.0 |
0.707 |
4 |
0 |
0 |
0.084 |
20 |
21 |
|
[SO4]A:401 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
10887 |
97.1 |
-13.8 |
0.749 |
4 |
0 |
0 |
0.078 |
21 |
22 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
10887 |
96.7 |
-15.0 |
0.735 |
4 |
0 |
0 |
0.084 |
22 |
23 |
|
C |
15 |
4 |
11052 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
11 |
2 |
9981 |
96.5 |
0.6 |
0.678 |
3 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
10835 |
96.4 |
-13.8 |
0.733 |
5 |
0 |
0 |
0.080 |
24 |
25 |
|
[SO4]D:403 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9981 |
93.9 |
-14.4 |
0.663 |
5 |
0 |
0 |
0.096 |
25 |
26 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
10835 |
93.5 |
-11.8 |
0.919 |
5 |
0 |
0 |
0.070 |
26 |
27 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10887 |
89.6 |
-12.4 |
0.850 |
3 |
0 |
0 |
0.069 |
27 |
28 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
11052 |
89.0 |
-13.1 |
0.815 |
3 |
0 |
0 |
0.083 |
28 |
29 |
|
[SO4]D:402 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9981 |
88.4 |
-12.5 |
0.792 |
1 |
0 |
0 |
0.075 |
29 |
30 |
|
D |
12 |
4 |
9981 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
4 |
11052 |
85.9 |
-1.3 |
0.335 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
9981 |
84.2 |
-12.6 |
0.719 |
3 |
0 |
0 |
0.080 |
31 |
32 |
|
[MN]B:902 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10835 |
49.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
33 |
|
[MN]A:902 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10887 |
49.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
34 |
|
[MN]D:902 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
11 |
6 |
9981 |
47.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
35 |
|
[MN]C:902 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11052 |
46.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
48.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
32 |
36 |
|
[CI3]B:801 |
5 |
1 |
606 |
f |
[SO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
186 |
44.9 |
-5.9 |
0.808 |
0 |
0 |
0 |
0.030 |
33 |
37 |
|
[CI3]C:801 |
7 |
1 |
600 |
f |
[SO4]C:401 |
x,y,z |
1_555 |
4 |
1 |
186 |
44.7 |
-5.9 |
0.848 |
0 |
0 |
0 |
0.034 |
34 |
38 |
|
[CI3]D:801 |
6 |
1 |
609 |
f |
[SO4]D:401 |
x,y,z |
1_555 |
4 |
1 |
186 |
44.1 |
-5.7 |
0.824 |
0 |
0 |
0 |
0.033 |
35 |
39 |
|
[MN]A:901 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
10887 |
43.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.041 |
40 |
|
[MN]B:901 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
10835 |
43.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.041 |
41 |
|
[MN]C:901 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
11052 |
42.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
42 |
|
[MN]D:901 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
9981 |
41.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
42.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.041 |
36 |
43 |
|
[CI3]A:801 |
6 |
1 |
601 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
4 |
1 |
187 |
43.2 |
-5.5 |
0.830 |
0 |
0 |
0 |
0.028 |
37 |
44 |
|
[MN]C:902 |
1 |
1 |
123 |
f |
[CI3]C:801 |
x,y,z |
1_555 |
4 |
1 |
600 |
40.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.033 |
45 |
|
[MN]B:902 |
1 |
1 |
123 |
cf |
[CI3]B:801 |
x,y,z |
1_555 |
5 |
1 |
606 |
39.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.033 |
46 |
|
[MN]A:902 |
1 |
1 |
123 |
f |
[CI3]A:801 |
x,y,z |
1_555 |
5 |
1 |
601 |
39.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.033 |
47 |
|
[MN]D:902 |
1 |
1 |
123 |
cf |
[CI3]D:801 |
x,y,z |
1_555 |
6 |
1 |
609 |
39.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
39.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
48 |
|
[MN]A:901 |
1 |
1 |
123 |
f |
[CI3]A:801 |
x,y,z |
1_555 |
4 |
1 |
601 |
37.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
49 |
|
[MN]D:901 |
1 |
1 |
123 |
f |
[CI3]D:801 |
x,y,z |
1_555 |
4 |
1 |
609 |
36.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
50 |
|
[MN]C:901 |
1 |
1 |
123 |
f |
[CI3]C:801 |
x,y,z |
1_555 |
4 |
1 |
600 |
36.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
51 |
|
[MN]B:901 |
1 |
1 |
123 |
f |
[CI3]B:801 |
x,y,z |
1_555 |
4 |
1 |
606 |
36.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
36.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
52 |
|
D |
4 |
2 |
9981 |
x |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
3 |
9981 |
33.1 |
0.8 |
0.536 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
B |
3 |
1 |
10835 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
11052 |
27.4 |
1.8 |
0.936 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
[SO4]A:401 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11052 |
24.0 |
-3.0 |
0.611 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[SO4]C:401 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
9981 |
21.4 |
-2.5 |
0.779 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[SO4]B:401 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
9981 |
19.5 |
-3.1 |
0.283 |
0 |
0 |
0 |
0.008 |
44 |
57 |
|
[MN]D:902 |
1 |
1 |
123 |
f |
[MN]D:901 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
45 |
58 |
|
[MN]A:902 |
1 |
1 |
123 |
f |
[MN]A:901 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
46 |
59 |
|
[MN]B:902 |
1 |
1 |
123 |
f |
[MN]B:901 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
47 |
60 |
|
[SO4]D:401 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
11052 |
15.4 |
-1.6 |
0.845 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[MN]C:902 |
1 |
1 |
123 |
f |
[MN]C:901 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
49 |
62 |
|
C |
1 |
1 |
11052 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
11052 |
6.0 |
0.3 |
0.833 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
A |
3 |
1 |
10887 |
◊ |
[SO4]B:402 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
185 |
1.9 |
-0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
51 |
64 |
|
[SO4]D:403 |
1 |
1 |
187 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
11052 |
1.5 |
-0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
52 |
65 |
|
B |
1 |
1 |
10835 |
◊ |
[SO4]C:402 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
187 |
0.6 |
-0.0 |
0.854 |
0 |
0 |
0 |
0.000 |
|