Prepare Protein
Information
 
Status
Success
 
User
16606
Elapsed Time
00:01:28
Start
09/27/22 10:10:29
Finish
09/27/22 10:11:57
Server Name
AbdusemiAbduweli
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
14.80 GB
Summary
1 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)
Loop 1: 12 residues missing at 2IRZ:A:ALA157, missing loop sequence=GFPLNQSEVLAS
Details
Alternate Conformations
No alternate conformations found in this structure
Standardize Names
No names have been changed
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 1 residue(s) A:ASN385
Loops added with InsertAminoAcidChain
A:GLY158-A:SER169
Loops minimized
A:GLY158-A:SER169
Results
CHARMM Log File
Predicted pK Values
Prepared Protein Structure
Titration Curves
Parameters
Protocol Settings
Protocol.pr_xml
 
Input Protein
2IRZ.dsv
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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