## |
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 |
70 |
23 |
12164 |
◊ |
A |
x,y,z |
1_555 |
72 |
25 |
12512 |
700.5 |
-1.3 |
0.457 |
15 |
2 |
0 |
0.000 |
2 |
|
C |
63 |
21 |
12642 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
68 |
22 |
12621 |
656.4 |
-0.8 |
0.509 |
12 |
2 |
0 |
0.000 |
Average: |
678.4 |
-1.1 |
0.483 |
14 |
2 |
0 |
0.000 |
2 |
3 |
|
D |
72 |
21 |
12621 |
◊ |
A |
x-1,y,z |
1_455 |
63 |
14 |
12512 |
635.2 |
-4.3 |
0.240 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
62 |
20 |
12621 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
55 |
17 |
12164 |
472.9 |
-2.9 |
0.293 |
7 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
50 |
15 |
12642 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
43 |
13 |
12512 |
445.1 |
-1.3 |
0.423 |
9 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
46 |
15 |
12642 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
12 |
12164 |
405.9 |
-0.4 |
0.536 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
38 |
11 |
12642 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
12164 |
399.8 |
-1.3 |
0.433 |
4 |
2 |
0 |
0.000 |
7 |
8 |
|
D |
43 |
13 |
12621 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
12512 |
382.0 |
-2.7 |
0.303 |
2 |
2 |
0 |
0.000 |
8 |
9 |
|
B |
38 |
12 |
12164 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
40 |
10 |
12621 |
364.1 |
-2.0 |
0.353 |
3 |
1 |
0 |
0.000 |
9 |
10 |
|
[TOR]B:302 |
20 |
1 |
489 |
f |
B |
x,y,z |
1_555 |
43 |
18 |
12164 |
314.8 |
-4.3 |
0.323 |
6 |
0 |
0 |
0.010 |
11 |
|
[TOR]A:302 |
20 |
1 |
491 |
f |
A |
x,y,z |
1_555 |
40 |
18 |
12512 |
314.4 |
-4.9 |
0.231 |
6 |
0 |
0 |
0.010 |
12 |
|
[TOR]C:302 |
20 |
1 |
493 |
f |
C |
x,y,z |
1_555 |
40 |
18 |
12642 |
314.4 |
-5.0 |
0.227 |
6 |
0 |
0 |
0.010 |
13 |
|
[TOR]D:302 |
20 |
1 |
491 |
f |
D |
x,y,z |
1_555 |
41 |
19 |
12621 |
313.9 |
-4.1 |
0.350 |
6 |
0 |
0 |
0.010 |
Average: |
314.4 |
-4.6 |
0.283 |
6 |
0 |
0 |
0.010 |
10 |
14 |
|
C |
17 |
4 |
12642 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
8 |
12512 |
195.4 |
-1.0 |
0.422 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
17 |
6 |
12642 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
12512 |
150.6 |
-0.2 |
0.529 |
2 |
1 |
0 |
0.000 |
12 |
16 |
|
[GOL]C:306 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
12642 |
122.1 |
-0.9 |
0.442 |
2 |
0 |
0 |
0.002 |
13 |
17 |
|
B |
15 |
4 |
12164 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
7 |
12512 |
114.9 |
0.5 |
0.605 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[ACT]D:305 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
12621 |
109.4 |
-1.0 |
0.523 |
1 |
0 |
0 |
0.002 |
15 |
19 |
|
[GOL]B:306 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
12164 |
109.3 |
-0.5 |
0.512 |
3 |
0 |
0 |
0.002 |
16 |
20 |
|
[GOL]A:305 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
12512 |
109.0 |
-0.2 |
0.568 |
5 |
0 |
0 |
0.003 |
17 |
21 |
|
C |
11 |
3 |
12642 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
5 |
12512 |
100.7 |
-0.1 |
0.527 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
12621 |
91.7 |
-13.5 |
0.763 |
3 |
0 |
0 |
0.019 |
19 |
23 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12164 |
91.4 |
-13.8 |
0.752 |
3 |
0 |
0 |
0.020 |
20 |
24 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
12642 |
90.9 |
-13.4 |
0.767 |
3 |
0 |
0 |
0.018 |
21 |
25 |
|
[SO4]C:304 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
12642 |
90.9 |
-14.0 |
0.641 |
4 |
0 |
0 |
0.020 |
22 |
26 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12512 |
90.1 |
-13.4 |
0.565 |
1 |
0 |
0 |
0.018 |
23 |
27 |
|
D |
10 |
4 |
12621 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12164 |
88.6 |
0.2 |
0.612 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12164 |
87.0 |
-13.2 |
0.636 |
3 |
0 |
0 |
0.019 |
25 |
29 |
|
[SO4]D:304 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
12621 |
86.8 |
-12.7 |
0.649 |
4 |
0 |
0 |
0.019 |
26 |
30 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12512 |
84.7 |
-12.6 |
0.602 |
4 |
0 |
0 |
0.019 |
27 |
31 |
|
D |
12 |
5 |
12621 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12642 |
82.9 |
0.7 |
0.692 |
2 |
0 |
0 |
0.000 |
28 |
32 |
|
[ACT]B:305 |
3 |
1 |
182 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
12621 |
63.8 |
0.3 |
0.717 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
D |
6 |
3 |
12621 |
◊ |
[GOL]B:306 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
219 |
61.8 |
-0.3 |
0.475 |
2 |
0 |
0 |
0.000 |
30 |
34 |
|
[ACT]C:305 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12512 |
56.8 |
1.4 |
0.850 |
2 |
0 |
0 |
0.000 |
31 |
35 |
|
C |
6 |
3 |
12642 |
◊ |
[GOL]A:305 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
219 |
54.4 |
-0.3 |
0.500 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[ACT]C:305 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12642 |
49.3 |
0.1 |
0.709 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[ACT]B:305 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12164 |
38.0 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
12164 |
35.4 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.033 |
39 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
12642 |
35.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.033 |
40 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
12621 |
35.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.033 |
41 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12512 |
35.0 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
35.2 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.033 |
35 |
42 |
|
D |
4 |
2 |
12621 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
12164 |
34.0 |
-0.0 |
0.430 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[TOR]D:302 |
6 |
1 |
491 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.018 |
44 |
|
[TOR]C:302 |
5 |
1 |
493 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.018 |
45 |
|
[TOR]A:302 |
5 |
1 |
491 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.018 |
46 |
|
[TOR]B:302 |
5 |
1 |
489 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
32.9 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.018 |
37 |
47 |
|
[SO4]D:304 |
4 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
12512 |
32.6 |
-3.3 |
0.872 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
C |
3 |
2 |
12642 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
12621 |
17.1 |
0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
B |
3 |
1 |
12164 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
3 |
12642 |
16.5 |
-0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
C |
1 |
1 |
12642 |
◊ |
[ACT]D:305 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
183 |
0.4 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
|