| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
T |
75 |
7 |
2302 |
◊ |
A |
x,y,z |
1_555 |
83 |
24 |
15696 |
648.0 |
-2.8 |
0.647 |
12 |
0 |
0 |
0.112 |
2 |
|
A |
59 |
19 |
15696 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
53 |
14 |
15696 |
553.5 |
1.5 |
0.858 |
13 |
5 |
0 |
0.000 |
3 |
|
P |
54 |
5 |
1239 |
◊ |
A |
x,y,z |
1_555 |
75 |
30 |
15696 |
469.1 |
-6.1 |
0.439 |
10 |
0 |
0 |
0.134 |
4 |
|
D |
41 |
4 |
1132 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
15696 |
358.3 |
-3.4 |
0.623 |
9 |
0 |
0 |
0.126 |
5 |
|
P |
28 |
5 |
1239 |
◊ |
T |
x,y,z |
1_555 |
25 |
5 |
2302 |
235.9 |
0.2 |
0.621 |
11 |
0 |
0 |
0.045 |
6 |
|
A |
21 |
7 |
15696 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
10 |
15696 |
221.1 |
-0.8 |
0.591 |
6 |
2 |
0 |
0.000 |
7 |
|
[TTP]A:504 |
27 |
1 |
551 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
15696 |
210.1 |
-0.7 |
0.679 |
6 |
0 |
0 |
0.058 |
8 |
|
D |
20 |
4 |
1132 |
◊ |
T |
x,y,z |
1_555 |
19 |
4 |
2302 |
196.5 |
-2.2 |
0.514 |
14 |
0 |
0 |
1.000 |
9 |
|
[TTP]A:504 |
21 |
1 |
551 |
◊ |
P |
x,y,z |
1_555 |
22 |
2 |
1239 |
122.4 |
-0.9 |
0.526 |
0 |
0 |
0 |
0.011 |
10 |
|
T |
13 |
1 |
2302 |
x |
T |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
1 |
2302 |
104.2 |
2.8 |
0.760 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
15 |
1 |
1132 |
◊ |
P |
-x,y-1/2,-z-1/2 |
3_544 |
13 |
1 |
1239 |
103.8 |
2.5 |
0.798 |
0 |
0 |
0 |
0.000 |
12 |
|
[EPE]A:505 |
5 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
15696 |
96.1 |
0.9 |
0.227 |
3 |
0 |
0 |
0.007 |
13 |
|
[PPV]A:503 |
9 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
15696 |
94.4 |
-1.7 |
0.732 |
5 |
0 |
0 |
0.067 |
14 |
|
[TTP]A:504 |
9 |
1 |
551 |
f |
[PPV]A:503 |
x,y,z |
1_555 |
9 |
1 |
259 |
75.9 |
-3.0 |
0.491 |
0 |
0 |
0 |
0.052 |
15 |
|
[DTT]A:507 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15696 |
66.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.082 |
16 |
|
[EDO]P:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
15696 |
63.0 |
2.2 |
0.541 |
1 |
0 |
0 |
0.000 |
17 |
|
[NA]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15696 |
56.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.147 |
18 |
|
T |
8 |
2 |
2302 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
15696 |
49.0 |
0.3 |
0.368 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
5 |
1 |
1132 |
◊ |
T |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
2302 |
45.2 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]P:101 |
4 |
1 |
184 |
◊ |
P |
x,y,z |
1_555 |
8 |
2 |
1239 |
44.8 |
1.5 |
0.269 |
1 |
0 |
0 |
0.000 |
21 |
|
A |
3 |
2 |
15696 |
x |
A |
x-1,y,z |
1_455 |
6 |
1 |
15696 |
44.1 |
-0.7 |
0.258 |
0 |
0 |
0 |
0.000 |
22 |
|
[TTP]A:504 |
5 |
1 |
551 |
◊ |
T |
x,y,z |
1_555 |
5 |
2 |
2302 |
37.1 |
0.7 |
0.646 |
1 |
0 |
0 |
0.000 |
23 |
|
[NA]A:506 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
1239 |
35.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.066 |
24 |
|
[PPV]A:503 |
5 |
1 |
259 |
◊ |
P |
x,y,z |
1_555 |
9 |
1 |
1239 |
35.1 |
-1.8 |
0.481 |
0 |
0 |
0 |
0.023 |
25 |
|
[EDO]P:101 |
3 |
1 |
184 |
◊ |
[TTP]A:504 |
x,y,z |
1_555 |
9 |
1 |
551 |
27.7 |
1.2 |
0.868 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]P:101 |
3 |
1 |
184 |
f |
T |
x,y,z |
1_555 |
7 |
3 |
2302 |
27.3 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
27 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
7 |
2 |
1239 |
23.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.040 |
28 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15696 |
22.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.064 |
29 |
|
[CA]A:508 |
1 |
1 |
85 |
◊ |
P |
x,y,z |
1_555 |
7 |
2 |
1239 |
20.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.050 |
30 |
|
T |
5 |
1 |
2302 |
◊ |
P |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
1239 |
20.4 |
-0.7 |
0.435 |
0 |
0 |
0 |
0.000 |
31 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15696 |
19.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.045 |
32 |
|
[TTP]A:504 |
5 |
1 |
551 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.051 |
33 |
|
[CA]A:508 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15696 |
18.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.084 |
34 |
|
[PPV]A:503 |
4 |
1 |
259 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.044 |
35 |
|
[TTP]A:504 |
5 |
1 |
551 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.040 |
36 |
|
[CA]A:508 |
1 |
1 |
85 |
f |
[TTP]A:504 |
x,y,z |
1_555 |
4 |
1 |
551 |
15.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.049 |
37 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
1239 |
13.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.024 |
38 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.026 |
39 |
|
[CA]A:508 |
1 |
1 |
85 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
|
[PPV]A:503 |
3 |
1 |
259 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
41 |
|
[CA]A:508 |
1 |
1 |
85 |
f |
[PPV]A:503 |
x,y,z |
1_555 |
3 |
1 |
259 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
|