## |
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 |
76 |
23 |
7994 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
70 |
21 |
7994 |
724.2 |
-10.0 |
0.123 |
5 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
72 |
18 |
7861 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
70 |
21 |
7861 |
623.4 |
-4.4 |
0.445 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
52 |
14 |
7994 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
14 |
7861 |
441.0 |
-4.8 |
0.335 |
1 |
0 |
0 |
0.034 |
4 |
4 |
|
B |
45 |
15 |
7861 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
9 |
7861 |
354.6 |
-2.1 |
0.514 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
34 |
12 |
7861 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
7994 |
295.8 |
-5.1 |
0.161 |
0 |
0 |
0 |
0.037 |
6 |
6 |
|
[PE5]B:206 |
12 |
1 |
389 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
7861 |
171.0 |
-0.9 |
0.665 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
14 |
6 |
7861 |
x |
B |
x,y-1,z |
1_545 |
21 |
7 |
7861 |
155.4 |
-0.4 |
0.391 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
18 |
6 |
7861 |
f |
[PE5]B:206 |
-x,y-1/2,-z+1 |
2_546 |
12 |
1 |
389 |
145.6 |
-2.2 |
0.329 |
1 |
0 |
0 |
0.019 |
9 |
9 |
|
A |
17 |
6 |
7994 |
x |
A |
x,y-1,z |
1_545 |
16 |
5 |
7994 |
131.0 |
-0.7 |
0.399 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[PE5]A:208 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
7994 |
129.0 |
1.5 |
0.416 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7861 |
107.3 |
-15.7 |
0.858 |
4 |
0 |
0 |
0.127 |
12 |
12 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7994 |
106.0 |
-15.3 |
0.847 |
4 |
0 |
0 |
0.124 |
13 |
13 |
|
[PE5]A:212 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7994 |
98.0 |
-0.2 |
0.676 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[SO4]A:204 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7994 |
87.7 |
-11.1 |
0.892 |
2 |
0 |
0 |
0.087 |
15 |
15 |
|
[SO4]A:206 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7994 |
81.2 |
-11.1 |
0.777 |
4 |
0 |
0 |
0.093 |
16 |
16 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7861 |
75.3 |
-9.6 |
0.830 |
0 |
0 |
0 |
0.069 |
17 |
17 |
|
B |
12 |
5 |
7861 |
f |
[PE5]B:203 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
171 |
74.9 |
0.8 |
0.322 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[SO4]A:203 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7994 |
67.3 |
-9.6 |
0.576 |
3 |
0 |
0 |
0.079 |
19 |
19 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7994 |
63.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.071 |
20 |
20 |
|
[PE5]B:203 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
7861 |
63.8 |
1.1 |
0.347 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[SO4]A:201 |
5 |
1 |
188 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
12 |
6 |
7994 |
63.2 |
-7.4 |
0.777 |
1 |
0 |
0 |
0.057 |
22 |
22 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
7861 |
60.2 |
-7.8 |
0.763 |
1 |
0 |
0 |
0.054 |
23 |
23 |
|
[PE5]A:207 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7994 |
59.9 |
2.7 |
0.000 |
2 |
0 |
0 |
0.000 |
24 |
24 |
|
[SO4]A:201 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7994 |
58.5 |
-7.2 |
0.739 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[SO4]A:205 |
4 |
1 |
186 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
7861 |
57.8 |
-5.5 |
0.933 |
2 |
0 |
0 |
0.047 |
26 |
26 |
|
[SO4]A:203 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7861 |
57.5 |
-7.4 |
0.607 |
1 |
0 |
0 |
0.057 |
27 |
27 |
|
A |
10 |
4 |
7994 |
◊ |
[SO4]B:202 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
186 |
56.5 |
-7.2 |
0.733 |
2 |
0 |
0 |
0.053 |
28 |
28 |
|
[PE5]A:212 |
5 |
1 |
256 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
7994 |
55.6 |
-0.9 |
0.533 |
0 |
0 |
0 |
0.000 |
29 |
29 |
|
[SO4]A:205 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7994 |
54.1 |
-5.1 |
0.944 |
2 |
0 |
0 |
0.039 |
30 |
30 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
7861 |
52.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.050 |
31 |
31 |
|
B |
10 |
3 |
7861 |
f |
[NA]B:204 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
42.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.039 |
32 |
32 |
|
[PE5]A:212 |
6 |
1 |
256 |
◊ |
[SO4]A:201 |
x,y,z |
1_555 |
4 |
1 |
188 |
41.4 |
-4.4 |
0.839 |
0 |
0 |
0 |
0.000 |
33 |
33 |
|
[NA]B:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7861 |
40.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
34 |
|
[PE5]A:212 |
5 |
1 |
256 |
f |
A |
x,y-1,z |
1_545 |
3 |
1 |
7994 |
38.6 |
-1.1 |
0.283 |
0 |
0 |
0 |
0.008 |
35 |
35 |
|
[PE5]A:208 |
4 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7861 |
37.0 |
-1.6 |
0.232 |
0 |
0 |
0 |
0.011 |
36 |
36 |
|
[PE5]A:207 |
2 |
1 |
171 |
f |
[SO4]A:206 |
x,y,z |
1_555 |
4 |
1 |
186 |
36.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
37 |
37 |
|
A |
2 |
1 |
7994 |
◊ |
[SO4]A:206 |
x,y-1,z |
1_545 |
2 |
1 |
186 |
34.5 |
-4.1 |
0.946 |
1 |
0 |
0 |
0.000 |
38 |
38 |
|
[NA]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
7994 |
32.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
39 |
39 |
|
[NA]A:210 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
7994 |
29.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
40 |
|
[SO4]A:201 |
2 |
1 |
188 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
2 |
7994 |
21.6 |
-3.0 |
0.567 |
0 |
0 |
0 |
0.000 |
41 |
41 |
|
[CL]A:209 |
1 |
1 |
125 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7861 |
19.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
42 |
|
[CL]A:209 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7994 |
4.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
11.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
42 |
43 |
|
A |
2 |
2 |
7994 |
◊ |
[CL]A:211 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
11.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
B |
2 |
1 |
7861 |
◊ |
[CL]B:205 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
A |
1 |
1 |
7994 |
◊ |
[NA]B:204 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
9.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
46 |
|
[NA]A:210 |
1 |
1 |
125 |
◊ |
[SO4]A:204 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
186 |
7.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
B |
2 |
1 |
7861 |
◊ |
[CL]B:205 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
125 |
4.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[CL]A:209 |
1 |
1 |
125 |
◊ |
[SO4]A:202 |
x,y,z |
1_555 |
3 |
1 |
186 |
4.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
48 |
49 |
|
[CL]A:209 |
1 |
1 |
125 |
◊ |
[SO4]B:201 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
186 |
3.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
49 |
50 |
|
[PE5]A:208 |
1 |
1 |
260 |
f |
[NA]B:204 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
2.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
51 |
|
A |
1 |
1 |
7994 |
◊ |
[PE5]A:207 |
x,y-1,z |
1_545 |
1 |
1 |
171 |
2.1 |
0.1 |
0.851 |
0 |
0 |
0 |
0.000 |
|