4. Model quality ?

For models with atomic structures, MolProbity analysis is performed. For models with coarse-grained or multi-scale structures, excluded volume analysis is performed.

4.1b. MolProbity Analysis ?

Excluded volume satisfaction for the models in the entry are listed below. The Analysed column shows the number of particle-partice or particle-atom pairs for which excluded volume was analysed.
Standard geometry: bond outliers ?

There are 4 bond length outliers in this entry (0.10% of 3904 assessed bonds). A summary is provided below.

Chain Res Type Atoms |Z| Observed (Å) Ideal (Å) Model ID (Worst) Models (Total)
C
2
DT
O3'-P
7.05
1.50
1.61
1
1
C
1
DT
O3'-P
7.03
1.50
1.61
1
1
C
3
DT
O3'-P
7.02
1.50
1.61
1
1
C
4
DT
O3'-P
4.49
1.54
1.61
1
1

Standard geometry: angle outliers ?

There are 2 bond angle outliers in this entry (0.04% of 5396 assessed bonds). A summary is provided below.

Chain Res Type Atoms |Z| Observed (Å) Ideal (Å) Model ID (Worst) Models (Total)
C
4
DT
C3'-O3'-P
8.12
108.02
120.20
1
1
D
15
DC
P-O5'-C5'
6.99
109.52
120.00
1
1

Too-close contacts ?

The following all-atom clashscore is based on a MolProbity analysis. All-atom clashscore is defined as the number of clashes found per 1000 atoms (including hydrogen atoms). The table below contains clashscores for all atomic models in this entry.

Model ID Clash score Number of clashes
1
0.00
0

There are no too-close contacts.
Torsion angles: Protein backbone ?

In the following table, Ramachandran outliers are listed. The Analysed column shows the number of residues for which the backbone conformation was analysed.

Model ID Analysed Favored Allowed Outliers
1
376
348
27
1

There are 1 unique backbone outliers. Detailed list of outliers are tabulated below.

Chain Res Type Models (Total)
B
62
GLU
1

Torsion angles : Protein sidechains ?
In the following table, sidechain rotameric outliers are listed. The Analysed column shows the number of residues for which the sidechain conformation was analysed.

Model ID Analysed Favored Allowed Outliers
1
343
264
45
34

There are 34 unique sidechain outliers. Detailed list of outliers are tabulated below.

Chain Res Type Models (Total)
A
7
SER
1
A
13
SER
1
A
22
THR
1
A
29
THR
1
A
33
SER
1
A
39
LEU
1
A
41
SER
1
A
47
GLU
1
A
76
SER
1
A
82
ILE
1
A
93
ASP
1
A
103
SER
1
A
115
THR
1
A
118
PHE
1
A
130
SER
1
A
132
ASP
1
A
148
THR
1
A
151
THR
1
A
168
ASP
1
A
169
THR
1
A
182
ASP
1
A
193
VAL
1
A
210
SER
1
A
211
VAL
1
A
215
SER
1
A
216
THR
1
A
238
GLN
1
B
14
GLU
1
B
18
SER
1
B
22
ASN
1
B
32
CYS
1
B
34
ASP
1
B
76
SER
1
B
100
GLN
1