| ## |
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 |
197 |
53 |
12284 |
◊ |
A |
x,y,z |
1_555 |
194 |
50 |
12288 |
1911.5 |
-38.2 |
0.001 |
13 |
2 |
0 |
0.391 |
2 |
|
D |
194 |
51 |
12364 |
◊ |
B |
x,y,z |
1_555 |
193 |
51 |
12267 |
1908.1 |
-37.7 |
0.001 |
15 |
1 |
0 |
0.391 |
| Average: |
1909.8 |
-38.0 |
0.001 |
14 |
2 |
0 |
0.391 |
| 2 |
3 |
|
[NAP]D:301 |
47 |
1 |
868 |
f |
D |
x,y,z |
1_555 |
85 |
33 |
12364 |
617.5 |
-4.1 |
0.609 |
20 |
0 |
0 |
0.234 |
4 |
|
[NAP]A:801 |
46 |
1 |
870 |
f |
A |
x,y,z |
1_555 |
86 |
32 |
12288 |
610.9 |
-4.1 |
0.631 |
22 |
0 |
0 |
0.234 |
5 |
|
[NAP]C:301 |
47 |
1 |
870 |
f |
C |
x,y,z |
1_555 |
86 |
30 |
12284 |
608.9 |
-4.3 |
0.611 |
21 |
0 |
0 |
0.234 |
6 |
|
[NAP]B:301 |
47 |
1 |
870 |
f |
B |
x,y,z |
1_555 |
85 |
32 |
12267 |
608.1 |
-3.8 |
0.623 |
22 |
0 |
0 |
0.234 |
| Average: |
611.3 |
-4.1 |
0.618 |
21 |
0 |
0 |
0.234 |
| 3 |
7 |
|
B |
55 |
14 |
12267 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
12288 |
458.7 |
-2.2 |
0.622 |
2 |
0 |
0 |
0.000 |
| 4 |
8 |
|
C |
52 |
15 |
12284 |
◊ |
B |
-x+1,-y+2,z-1/2 |
4_674 |
61 |
16 |
12267 |
452.6 |
-1.8 |
0.648 |
7 |
2 |
0 |
0.000 |
9 |
|
D |
50 |
15 |
12364 |
◊ |
C |
-y+1,x-y+1,z+1/3 |
2_665 |
51 |
11 |
12284 |
436.6 |
-2.3 |
0.569 |
7 |
4 |
0 |
0.000 |
| Average: |
444.6 |
-2.0 |
0.609 |
7 |
3 |
0 |
0.000 |
| 5 |
10 |
|
A |
38 |
10 |
12288 |
◊ |
C |
x-y+1,x+1,z+1/6 |
6_665 |
39 |
10 |
12284 |
336.5 |
-2.8 |
0.465 |
1 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
27 |
5 |
12288 |
◊ |
D |
x-y+1,x+1,z+1/6 |
6_665 |
40 |
13 |
12364 |
306.7 |
0.9 |
0.785 |
4 |
2 |
0 |
0.000 |
| 7 |
12 |
|
D |
31 |
10 |
12364 |
◊ |
C |
x,y,z |
1_555 |
31 |
9 |
12284 |
262.6 |
2.8 |
0.896 |
4 |
4 |
0 |
0.000 |
| 8 |
13 |
|
[4KL]B:302 |
15 |
1 |
348 |
f |
B |
x,y,z |
1_555 |
40 |
19 |
12267 |
220.8 |
-2.9 |
0.472 |
6 |
0 |
0 |
0.092 |
14 |
|
[4KL]A:802 |
15 |
1 |
347 |
f |
A |
x,y,z |
1_555 |
37 |
18 |
12288 |
218.8 |
-2.8 |
0.474 |
6 |
0 |
0 |
0.092 |
15 |
|
[4KL]C:302 |
15 |
1 |
345 |
f |
C |
x,y,z |
1_555 |
39 |
18 |
12284 |
199.0 |
-2.4 |
0.496 |
6 |
0 |
0 |
0.092 |
16 |
|
[4KL]D:302 |
15 |
1 |
349 |
f |
D |
x,y,z |
1_555 |
38 |
18 |
12364 |
197.7 |
-2.3 |
0.506 |
6 |
0 |
0 |
0.092 |
| Average: |
209.1 |
-2.6 |
0.487 |
6 |
0 |
0 |
0.092 |
| 9 |
17 |
|
D |
29 |
10 |
12364 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
28 |
9 |
12288 |
207.0 |
0.0 |
0.665 |
2 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[SO4]C:304 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12284 |
103.0 |
-16.8 |
0.490 |
1 |
0 |
0 |
0.127 |
| 11 |
19 |
|
[SO4]D:303 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
12364 |
101.0 |
-16.4 |
0.507 |
1 |
0 |
0 |
0.148 |
| 12 |
20 |
|
[EDO]B:305 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12267 |
78.7 |
2.8 |
0.331 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
C |
11 |
5 |
12284 |
f |
[SO4]B:303 |
-x+1,-y+2,z-1/2 |
4_674 |
5 |
1 |
188 |
77.6 |
-9.7 |
0.867 |
2 |
0 |
0 |
0.078 |
| 14 |
22 |
|
[4KL]A:802 |
13 |
1 |
347 |
f |
[NAP]A:801 |
x,y,z |
1_555 |
10 |
1 |
870 |
71.4 |
-1.2 |
0.579 |
0 |
0 |
0 |
0.023 |
23 |
|
[4KL]D:302 |
14 |
1 |
349 |
f |
[NAP]D:301 |
x,y,z |
1_555 |
11 |
1 |
868 |
70.7 |
-1.4 |
0.569 |
0 |
0 |
0 |
0.023 |
24 |
|
[4KL]B:302 |
13 |
1 |
348 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
11 |
1 |
870 |
70.7 |
-1.2 |
0.576 |
0 |
0 |
0 |
0.023 |
25 |
|
[4KL]C:302 |
14 |
1 |
345 |
f |
[NAP]C:301 |
x,y,z |
1_555 |
11 |
1 |
870 |
68.5 |
-1.3 |
0.578 |
0 |
0 |
0 |
0.023 |
| Average: |
70.3 |
-1.3 |
0.575 |
0 |
0 |
0 |
0.023 |
| 15 |
26 |
|
[SO4]C:303 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
12284 |
56.0 |
-5.7 |
0.957 |
1 |
0 |
0 |
0.045 |
| 16 |
27 |
|
[SO4]A:803 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
12288 |
53.4 |
-5.5 |
0.961 |
2 |
0 |
0 |
0.047 |
| 17 |
28 |
|
[SO4]B:304 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
12267 |
49.1 |
-5.4 |
0.950 |
2 |
0 |
0 |
0.055 |
| 18 |
29 |
|
[SO4]D:303 |
4 |
1 |
186 |
f |
[4KL]D:302 |
x,y,z |
1_555 |
10 |
1 |
349 |
43.9 |
-6.3 |
0.800 |
0 |
0 |
0 |
0.055 |
| 19 |
30 |
|
[SO4]C:304 |
4 |
1 |
187 |
f |
[4KL]C:302 |
x,y,z |
1_555 |
10 |
1 |
345 |
42.2 |
-6.0 |
0.809 |
0 |
0 |
0 |
0.044 |
| 20 |
31 |
|
[SO4]A:803 |
1 |
1 |
187 |
f |
[NAP]A:801 |
x,y,z |
1_555 |
3 |
1 |
870 |
21.2 |
-2.6 |
0.717 |
0 |
0 |
0 |
0.019 |
| 21 |
32 |
|
[SO4]C:303 |
4 |
1 |
186 |
f |
[NAP]C:301 |
x,y,z |
1_555 |
4 |
1 |
870 |
17.6 |
-1.8 |
0.795 |
0 |
0 |
0 |
0.013 |
| 22 |
33 |
|
[SO4]B:304 |
2 |
1 |
187 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
4 |
1 |
870 |
17.3 |
-2.1 |
0.762 |
0 |
0 |
0 |
0.018 |
| 23 |
34 |
|
B |
1 |
1 |
12267 |
◊ |
D |
x-y+1,x+1,z+1/6 |
6_665 |
4 |
1 |
12364 |
7.0 |
0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
B |
2 |
1 |
12267 |
◊ |
A |
x-y+1,x,z+1/6 |
6_655 |
4 |
2 |
12288 |
6.8 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
|