Prepare Protein

Information
 
Status
Success
 
User
16606
Elapsed Time
00:00:18
Start
09/15/22 10:25:29
Finish
09/15/22 10:25:47
Server Name
DS Version
19.1.0.18287
PP Version
19.1.0.1963
DS Client Version
19.1.0.18287
Server Ports
9944 (9943)
OS Distribution
Windows
OS Version
10.0.22000
Memory Total
23.85 GB
Memory Free
14.53 GB
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
Parameters
Protocol Settings
 
Input Protein
Build Loops
True
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
Protonate
True
Protein Dielectric Constant
10
pH for Protonation
7.4
Ionic Strength
0.145
Energy Cutoff
0.9
Advanced
Forcefield
CHARMm
Keep Ligands
True
Keep Water
None
Disulfide Bridges

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