## |
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 |
178 |
58 |
20456 |
◊ |
A |
x,y,z |
1_555 |
171 |
50 |
20856 |
1653.2 |
-0.8 |
0.716 |
22 |
0 |
0 |
0.009 |
2 |
2 |
|
A |
98 |
29 |
20856 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
105 |
32 |
20856 |
831.6 |
-1.4 |
0.595 |
11 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
56 |
17 |
20856 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
73 |
24 |
20456 |
631.1 |
-2.2 |
0.494 |
5 |
4 |
0 |
0.042 |
4 |
4 |
|
B |
61 |
20 |
20456 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
59 |
16 |
20856 |
483.8 |
1.9 |
0.723 |
6 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
46 |
17 |
20856 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
46 |
15 |
20456 |
426.4 |
-4.1 |
0.230 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDT]B:1511 |
18 |
1 |
422 |
f |
B |
x,y,z |
1_555 |
43 |
12 |
20456 |
256.5 |
-1.2 |
0.544 |
3 |
0 |
0 |
0.021 |
7 |
7 |
|
[EDT]A:1513 |
18 |
1 |
434 |
f |
A |
x,y,z |
1_555 |
45 |
10 |
20856 |
252.3 |
-2.0 |
0.423 |
5 |
0 |
0 |
0.035 |
8 |
8 |
|
A |
19 |
6 |
20856 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
20 |
6 |
20456 |
179.9 |
-0.6 |
0.500 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
14 |
6 |
20456 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
19 |
7 |
20456 |
157.9 |
-0.2 |
0.437 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[DTT]A:1514 |
8 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
20856 |
136.1 |
-0.8 |
0.658 |
8 |
0 |
0 |
0.036 |
11 |
11 |
|
[GOL]B:1512 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
20456 |
134.4 |
-0.5 |
0.560 |
3 |
0 |
0 |
0.015 |
12 |
12 |
|
[ACT]B:1505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20456 |
122.4 |
-1.1 |
0.529 |
2 |
0 |
0 |
0.017 |
13 |
13 |
|
[ACT]A:1502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
20856 |
116.3 |
-1.0 |
0.567 |
0 |
0 |
0 |
0.008 |
14 |
14 |
|
[ACT]A:1506 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
20856 |
110.7 |
-0.8 |
0.590 |
0 |
0 |
0 |
0.007 |
15 |
15 |
|
[ACT]B:1503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20456 |
107.6 |
-0.2 |
0.681 |
3 |
0 |
0 |
0.013 |
16 |
16 |
|
[ACT]A:1503 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
20856 |
98.1 |
0.6 |
0.785 |
2 |
0 |
0 |
0.002 |
17 |
17 |
|
[GOL]A:1515 |
5 |
1 |
218 |
f |
B |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
6 |
20456 |
96.8 |
-1.3 |
0.334 |
3 |
0 |
0 |
0.022 |
18 |
18 |
|
[ACT]A:1507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20856 |
96.7 |
-1.1 |
0.521 |
2 |
0 |
0 |
0.016 |
19 |
19 |
|
[GOL]A:1516 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
20856 |
96.5 |
0.2 |
0.641 |
1 |
0 |
0 |
0.002 |
20 |
20 |
|
A |
13 |
6 |
20856 |
f |
[ACT]A:1505 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
184 |
93.2 |
-0.7 |
0.547 |
1 |
0 |
0 |
0.009 |
21 |
21 |
|
[DTT]A:1514 |
6 |
1 |
283 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
4 |
20856 |
93.1 |
-2.9 |
0.510 |
3 |
0 |
0 |
0.000 |
22 |
22 |
|
[ACT]B:1504 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20456 |
91.0 |
-0.5 |
0.637 |
0 |
0 |
0 |
0.004 |
23 |
23 |
|
[GOL]A:1515 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
20856 |
90.3 |
-0.7 |
0.422 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[GOL]A:1517 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
20856 |
89.5 |
0.9 |
0.747 |
3 |
0 |
0 |
0.000 |
25 |
25 |
|
[GOL]B:1513 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20456 |
85.8 |
-0.6 |
0.420 |
2 |
0 |
0 |
0.012 |
26 |
26 |
|
[CL]B:1506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
20456 |
70.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.090 |
27 |
27 |
|
[SO4]A:1508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20856 |
69.3 |
-8.6 |
0.890 |
3 |
0 |
0 |
0.082 |
28 |
28 |
|
[ACT]A:1505 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20856 |
62.3 |
0.0 |
0.643 |
1 |
0 |
0 |
0.000 |
29 |
29 |
|
[CL]A:1512 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20856 |
60.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.072 |
30 |
30 |
|
[CL]A:1510 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20856 |
59.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.063 |
31 |
31 |
|
[ACT]A:1504 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20856 |
59.3 |
-0.2 |
0.606 |
1 |
0 |
0 |
0.005 |
32 |
32 |
|
[SO4]A:1508 |
4 |
1 |
184 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
20456 |
58.0 |
-7.0 |
0.899 |
2 |
0 |
0 |
0.065 |
33 |
33 |
|
[CL]A:1509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20856 |
55.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.055 |
34 |
34 |
|
[EDT]A:1513 |
5 |
1 |
434 |
f |
[FE]A:1501 |
x,y,z |
1_555 |
1 |
1 |
137 |
54.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.150 |
35 |
|
[EDT]B:1511 |
4 |
1 |
422 |
f |
[FE]B:1502 |
x,y,z |
1_555 |
1 |
1 |
137 |
52.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
53.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.150 |
35 |
36 |
|
[CL]A:1511 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20856 |
52.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.049 |
36 |
37 |
|
[FE]A:1501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
20856 |
46.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.078 |
38 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
20456 |
45.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
46.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.078 |
37 |
39 |
|
[CL]A:1512 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20456 |
38.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.003 |
38 |
40 |
|
B |
6 |
3 |
20456 |
f |
[GOL]A:1517 |
x-1,y,z |
1_455 |
5 |
1 |
219 |
37.3 |
-0.6 |
0.486 |
0 |
0 |
0 |
0.005 |
39 |
41 |
|
B |
5 |
3 |
20456 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
5 |
20856 |
36.6 |
1.6 |
0.897 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[CL]A:1511 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
20456 |
36.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.021 |
41 |
43 |
|
[ACT]A:1506 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
20456 |
35.9 |
0.4 |
0.712 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
A |
3 |
2 |
20856 |
◊ |
[GOL]A:1517 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
219 |
33.2 |
1.0 |
0.683 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
B |
2 |
1 |
20456 |
◊ |
[CL]A:1510 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
11.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
B |
2 |
2 |
20456 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
3 |
20456 |
9.4 |
0.2 |
0.735 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[GOL]A:1516 |
1 |
1 |
217 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
20456 |
4.9 |
-0.0 |
0.392 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[EDT]A:1513 |
1 |
1 |
434 |
f |
[CL]A:1511 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
49 |
|
[CL]A:1509 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
20456 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|