## |
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 |
|
E |
135 |
34 |
6811 |
◊ |
D |
x,y,z |
1_555 |
138 |
42 |
15069 |
1305.6 |
-11.0 |
0.134 |
21 |
8 |
0 |
1.000 |
2 |
|
B |
135 |
35 |
6768 |
◊ |
A |
x,y,z |
1_555 |
144 |
43 |
15459 |
1291.7 |
-11.7 |
0.107 |
19 |
7 |
0 |
1.000 |
Average: |
1298.7 |
-11.4 |
0.121 |
20 |
8 |
0 |
1.000 |
2 |
3 |
|
C |
67 |
9 |
1512 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
15459 |
910.2 |
-13.2 |
0.291 |
13 |
0 |
0 |
1.000 |
4 |
|
F |
66 |
9 |
1486 |
◊ |
D |
x,y,z |
1_555 |
113 |
34 |
15069 |
889.0 |
-9.4 |
0.571 |
14 |
0 |
0 |
1.000 |
Average: |
899.6 |
-11.3 |
0.431 |
14 |
0 |
0 |
1.000 |
3 |
5 |
|
A |
59 |
22 |
15459 |
◊ |
D |
x,y,z-1 |
1_554 |
63 |
18 |
15069 |
584.4 |
3.1 |
0.610 |
11 |
8 |
0 |
0.039 |
4 |
6 |
|
D |
39 |
15 |
15069 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
49 |
16 |
15459 |
436.1 |
-3.7 |
0.213 |
1 |
2 |
0 |
0.051 |
5 |
7 |
|
B |
41 |
11 |
6768 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
3_444 |
35 |
10 |
15069 |
382.0 |
0.7 |
0.603 |
9 |
5 |
0 |
0.000 |
6 |
8 |
|
D |
42 |
14 |
15069 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
15459 |
321.5 |
0.1 |
0.578 |
3 |
1 |
0 |
0.000 |
7 |
9 |
|
D |
34 |
10 |
15069 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
29 |
6 |
1512 |
288.2 |
-4.1 |
0.334 |
2 |
0 |
0 |
0.057 |
8 |
10 |
|
B |
29 |
9 |
6768 |
◊ |
D |
-x-1/2,y-1/2,-z |
3_445 |
30 |
10 |
15069 |
261.4 |
-0.1 |
0.554 |
3 |
1 |
0 |
0.020 |
9 |
11 |
|
A |
19 |
9 |
15459 |
◊ |
D |
-x-1/2,y-1/2,-z |
3_445 |
25 |
6 |
15069 |
183.7 |
-1.6 |
0.288 |
1 |
0 |
0 |
0.027 |
10 |
12 |
|
[EDO]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
15069 |
113.1 |
3.0 |
0.432 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:104 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
6768 |
112.9 |
3.5 |
0.460 |
6 |
0 |
0 |
0.000 |
12 |
14 |
|
D |
11 |
4 |
15069 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
11 |
3 |
15459 |
111.1 |
-0.4 |
0.479 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]B:102 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
6768 |
107.8 |
2.9 |
0.409 |
5 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
11 |
5 |
15459 |
x |
A |
x,y,z-1 |
1_554 |
13 |
5 |
15459 |
106.9 |
1.1 |
0.733 |
1 |
1 |
0 |
0.000 |
15 |
17 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
15069 |
104.8 |
3.1 |
0.446 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
[SO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
15459 |
91.3 |
-13.0 |
0.632 |
0 |
0 |
0 |
0.443 |
17 |
19 |
|
[EDO]B:101 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
6768 |
86.7 |
1.7 |
0.239 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
B |
12 |
4 |
6768 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
5 |
15459 |
86.7 |
1.6 |
0.780 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
E |
10 |
4 |
6811 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
3 |
15069 |
81.7 |
0.2 |
0.621 |
1 |
1 |
0 |
0.000 |
20 |
22 |
|
[EDO]E:101 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
15069 |
80.8 |
1.9 |
0.221 |
2 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:105 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
6768 |
80.3 |
1.9 |
0.775 |
5 |
0 |
0 |
0.009 |
22 |
24 |
|
[EDO]D:303 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
15069 |
78.1 |
2.4 |
0.282 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15459 |
74.8 |
1.9 |
0.248 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
6811 |
73.8 |
1.3 |
0.648 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]B:105 |
4 |
1 |
184 |
◊ |
D |
-x-1/2,y-1/2,-z |
3_445 |
8 |
4 |
15069 |
72.8 |
2.8 |
0.315 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[EDO]B:103 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6768 |
72.8 |
1.4 |
0.722 |
2 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]B:103 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15459 |
70.9 |
1.9 |
0.217 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
A |
10 |
4 |
15459 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
6811 |
67.8 |
0.9 |
0.729 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:101 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15459 |
64.4 |
1.7 |
0.249 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]D:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
15069 |
61.0 |
1.5 |
0.693 |
1 |
0 |
0 |
0.000 |
31 |
33 |
|
A |
9 |
3 |
15459 |
f |
[EDO]D:303 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
58.9 |
1.0 |
0.630 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
D |
9 |
4 |
15069 |
x |
D |
x,y,z-1 |
1_554 |
5 |
1 |
15069 |
53.8 |
1.1 |
0.669 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
D |
x,y,z-1 |
1_554 |
7 |
3 |
15069 |
53.7 |
0.9 |
0.660 |
1 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]E:101 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
6811 |
40.8 |
1.3 |
0.903 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
A |
4 |
2 |
15459 |
◊ |
E |
-x-1/2,y-1/2,-z-1 |
3_444 |
4 |
3 |
6811 |
29.4 |
-0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[SO4]A:302 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6768 |
28.9 |
-3.2 |
0.875 |
1 |
0 |
0 |
0.120 |
37 |
39 |
|
[EDO]E:101 |
3 |
1 |
185 |
f |
[EDO]D:304 |
x,y,z |
1_555 |
2 |
1 |
185 |
22.6 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
A |
1 |
1 |
15459 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
1 |
15459 |
7.6 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]B:102 |
1 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15459 |
7.5 |
0.4 |
0.962 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
F |
1 |
1 |
1486 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
15459 |
4.0 |
0.1 |
0.773 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
E |
1 |
1 |
6811 |
x |
E |
x,y,z-1 |
1_554 |
1 |
1 |
6811 |
0.4 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
|