| ## |
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 |
133 |
35 |
11551 |
◊ |
B |
x,y,z |
1_555 |
140 |
35 |
11540 |
1323.7 |
-10.8 |
0.148 |
14 |
18 |
0 |
0.145 |
2 |
|
C |
135 |
35 |
11543 |
◊ |
A |
x,y,z |
1_555 |
142 |
35 |
11573 |
1311.1 |
-10.0 |
0.170 |
14 |
20 |
0 |
0.145 |
| Average: |
1317.4 |
-10.4 |
0.159 |
14 |
19 |
0 |
0.145 |
| 2 |
3 |
|
B |
56 |
16 |
11540 |
◊ |
C |
x,y,z-1 |
1_554 |
58 |
20 |
11543 |
542.4 |
-2.2 |
0.384 |
4 |
0 |
0 |
0.003 |
4 |
|
D |
57 |
19 |
11551 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
11573 |
494.0 |
-3.1 |
0.309 |
5 |
0 |
0 |
0.003 |
| Average: |
518.2 |
-2.6 |
0.347 |
5 |
0 |
0 |
0.003 |
| 3 |
5 |
|
A |
44 |
16 |
11573 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
43 |
13 |
11543 |
376.5 |
0.5 |
0.573 |
2 |
0 |
0 |
0.000 |
6 |
|
D |
40 |
12 |
11551 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
41 |
17 |
11540 |
374.2 |
2.2 |
0.714 |
4 |
2 |
0 |
0.000 |
| Average: |
375.4 |
1.3 |
0.644 |
3 |
1 |
0 |
0.000 |
| 4 |
7 |
|
C |
34 |
11 |
11543 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
32 |
12 |
11543 |
306.1 |
-2.2 |
0.362 |
3 |
4 |
0 |
0.000 |
8 |
|
D |
34 |
11 |
11551 |
x |
D |
-x,y-1/2,-z |
2_545 |
30 |
10 |
11551 |
300.4 |
-2.2 |
0.369 |
3 |
4 |
0 |
0.000 |
| Average: |
303.3 |
-2.2 |
0.366 |
3 |
4 |
0 |
0.000 |
| 5 |
9 |
|
B |
29 |
9 |
11540 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
6 |
11551 |
275.4 |
-2.8 |
0.284 |
6 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
28 |
10 |
11543 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
10 |
11573 |
252.6 |
-2.3 |
0.333 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[EDO]B:911 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
11540 |
121.6 |
3.8 |
0.603 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:911 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11573 |
119.1 |
3.8 |
0.607 |
3 |
0 |
0 |
0.000 |
| Average: |
120.3 |
3.8 |
0.605 |
3 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[SO4]C:901 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
11543 |
121.0 |
-20.4 |
0.595 |
2 |
0 |
0 |
0.150 |
| 9 |
14 |
|
[EDO]D:911 |
4 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
11551 |
115.2 |
3.7 |
0.462 |
5 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[EDO]B:912 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
11540 |
111.6 |
3.2 |
0.469 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[SO4]A:901 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
11573 |
103.8 |
-16.3 |
0.761 |
7 |
0 |
0 |
0.137 |
| 12 |
17 |
|
[SO4]B:903 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
11540 |
102.5 |
-16.1 |
0.768 |
6 |
0 |
0 |
0.138 |
| 13 |
18 |
|
[SO4]D:901 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
11551 |
102.4 |
-15.6 |
0.768 |
5 |
0 |
0 |
0.131 |
| 14 |
19 |
|
[SO4]D:902 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
11551 |
100.1 |
-16.0 |
0.773 |
3 |
0 |
0 |
0.127 |
| 15 |
20 |
|
[SO4]C:904 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11543 |
100.0 |
-15.6 |
0.755 |
5 |
0 |
0 |
0.125 |
| 16 |
21 |
|
[SO4]C:902 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
11543 |
96.5 |
-14.8 |
0.788 |
1 |
0 |
0 |
0.107 |
| 17 |
22 |
|
[EDO]D:912 |
4 |
1 |
190 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
11551 |
94.9 |
1.6 |
0.172 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[SO4]B:902 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
11540 |
92.1 |
-13.0 |
0.704 |
1 |
0 |
0 |
0.099 |
| 19 |
24 |
|
[EDO]C:911 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11543 |
91.5 |
2.6 |
0.447 |
4 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[SO4]A:902 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11573 |
89.4 |
-12.4 |
0.875 |
4 |
0 |
0 |
0.100 |
| 21 |
26 |
|
[SO4]B:905 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11540 |
86.4 |
-12.5 |
0.866 |
3 |
0 |
0 |
0.102 |
| 22 |
27 |
|
[SO4]A:903 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11573 |
84.0 |
-12.6 |
0.477 |
3 |
0 |
0 |
0.098 |
| 23 |
28 |
|
[SO4]C:903 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
11543 |
82.1 |
-12.2 |
0.611 |
3 |
0 |
0 |
0.095 |
| 24 |
29 |
|
[SO4]A:904 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11573 |
72.7 |
-10.7 |
0.556 |
3 |
0 |
0 |
0.085 |
| 25 |
30 |
|
[SO4]B:902 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
11551 |
65.3 |
-8.6 |
0.621 |
2 |
0 |
0 |
0.070 |
| 26 |
31 |
|
[EDO]C:911 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11573 |
63.7 |
1.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[SO4]B:901 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
11551 |
61.8 |
-7.3 |
0.920 |
3 |
0 |
0 |
0.064 |
| 28 |
33 |
|
D |
9 |
3 |
11551 |
f |
[EDO]D:912 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
190 |
58.6 |
1.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[SO4]D:903 |
4 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11551 |
52.9 |
-7.5 |
0.630 |
1 |
0 |
0 |
0.058 |
| 30 |
35 |
|
[SO4]B:904 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11540 |
52.8 |
-6.0 |
0.923 |
2 |
0 |
0 |
0.051 |
| 31 |
36 |
|
[SO4]B:901 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11540 |
51.2 |
-6.1 |
0.786 |
2 |
0 |
0 |
0.052 |
| 32 |
37 |
|
B |
7 |
3 |
11540 |
◊ |
[SO4]C:903 |
x,y,z-1 |
1_554 |
4 |
1 |
187 |
45.0 |
-5.4 |
0.704 |
0 |
0 |
0 |
0.004 |
| 33 |
38 |
|
D |
3 |
1 |
11551 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
11543 |
36.6 |
0.5 |
0.637 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[SO4]A:903 |
4 |
1 |
187 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
11543 |
34.8 |
-2.7 |
0.972 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[SO4]D:901 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11573 |
28.0 |
-2.2 |
0.968 |
2 |
0 |
0 |
0.000 |
| 36 |
41 |
|
B |
3 |
3 |
11540 |
◊ |
A |
x-1,y,z-1 |
1_454 |
7 |
4 |
11573 |
24.5 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[SO4]D:903 |
2 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11540 |
20.8 |
-2.1 |
0.928 |
0 |
0 |
0 |
0.015 |
| 38 |
43 |
|
B |
2 |
1 |
11540 |
◊ |
[SO4]C:904 |
x,y,z-1 |
1_554 |
4 |
1 |
188 |
20.1 |
-1.2 |
0.972 |
1 |
0 |
0 |
0.001 |
| 39 |
44 |
|
[EDO]D:911 |
1 |
1 |
189 |
f |
[SO4]D:901 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.3 |
-0.7 |
0.894 |
0 |
0 |
0 |
0.005 |
| 40 |
45 |
|
A |
3 |
1 |
11573 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11573 |
6.0 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
|