Prepare Protein
|
|
Information
|
|
|
Summary
|
|
No missing segments found from SEQRES data.
(Missing segments containing non-standard residues or more than 20 residues, and missing residues at N and C termini are ignored)
|
|
|
|
Details
|
|
Alternate Conformations
|
No alternate conformations found in this structure
|
Standardize Names
|
36 name(s) standardized
Standardized name of atom A:LEU42:H1
Standardized name of atom A:LEU42:H2
Standardized name of atom A:LEU42:H3
Standardized name of atom A:SER43:H
Standardized name of atom A:ASP44:H
Standardized name of atom A:GLU45:H
Standardized name of atom A:ASP46:H
Standardized name of atom A:PHE47:H
Standardized name of atom A:LYS48:H
Standardized name of atom A:ALA49:H
Standardized name of atom A:VAL50:H
Standardized name of atom A:PHE51:H
Standardized name of atom A:GLY52:H
Standardized name of atom A:MET53:H
Standardized name of atom A:THR54:H
Standardized name of atom A:ARG55:H
Standardized name of atom A:SER56:H
Standardized name of atom A:ALA57:H
Standardized name of atom A:PHE58:H
Standardized name of atom A:ALA59:H
Standardized name of atom A:ASN60:H
Standardized name of atom A:LEU61:H
Standardized name of atom A:LEU63:H
Standardized name of atom A:TRP64:H
Standardized name of atom A:LYS65:H
Standardized name of atom A:GLN66:H
Standardized name of atom A:GLN67:H
Standardized name of atom A:HIS68:H
Standardized name of atom A:LEU69:H
Standardized name of atom A:LYS70:H
Standardized name of atom A:LYS71:H
Standardized name of atom A:GLU72:H
Standardized name of atom A:LYS73:H
Standardized name of atom A:GLY74:H
Standardized name of atom A:LEU75:H
Standardized name of atom A:PHE76:H
|
Complete Residues
|
No incomplete residues found
|
Bonding and bond orders
|
Bonds and bond orders have been checked and corrected if necessary
|
Terminus modification
|
1 terminal residue(s) adjusted
|
Atom ordering
|
Reordered atoms in 2 residue(s)
A:LEU42
A:PHE76
|
|
|
|
Results
|
|
|
Parameters
|
|
|
|
|
Loop Definition
|
SEQRES
|
Loop List
|
|
Maximal Loop Length
|
20
|
Use Looper
|
False
|
Use Looper Maximal Loop Length
|
12
|
Use CHARMm Minimization
|
True
|
Flexible Stem Residues
|
0
|
|
|
Protein Dielectric Constant
|
10
|
pH for Protonation
|
7.4
|
Ionic Strength
|
0.145
|
Energy Cutoff
|
0.9
|
|
|
Forcefield
|
CHARMm
|
Keep Ligands
|
True
|
Keep Water
|
None
|
Disulfide Bridges
|
|
|
|
Copyright © 2022 Dassault Systèmes Biovia Corp - All rights reserved.
|