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Browse curated peptide and protein systems by sequence, PDB ID, modification type, and protonation-state annotation.

Showing 150 of 588

Search supports sequence or PDB ID. Use [PTM] after an amino acid for modified residues, e.g. AR[CBM]A. Use * after a protonated residue for CpHMD, e.g. AH*H*A. Current Type / PTM / CpHMD filters will be kept.

Due to the accuracy limits of implicit solvent models, we only simulated the first chain of the protein corresponding to each PDB ID.

Class
PTM
CpHMD
SystemLengthModificationpH ConditionMethodsStructure
AVA3
UnbiasedAdaptive
AVA structure
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AAVA4
UnbiasedAdaptive
AAVA structure
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ACVA4
UnbiasedAdaptive
ACVA structure
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ADVA4
UnbiasedAdaptive
ADVA structure
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AEVA4
UnbiasedAdaptive
AEVA structure
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AFVA4
UnbiasedAdaptive
AFVA structure
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AGVA4
UnbiasedAdaptive
AGVA structure
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AHVA4
UnbiasedAdaptive
AHVA structure
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AIVA4
UnbiasedAdaptive
AIVA structure
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AKVA4
UnbiasedAdaptive
AKVA structure
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ALVA4
UnbiasedAdaptive
ALVA structure
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AMVA4
UnbiasedAdaptive
AMVA structure
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ANVA4
UnbiasedAdaptive
ANVA structure
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APVA4
UnbiasedAdaptive
APVA structure
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AQVA4
UnbiasedAdaptive
AQVA structure
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ARVA4
UnbiasedAdaptive
ARVA structure
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ASVA4
UnbiasedAdaptive
ASVA structure
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ATVA4
UnbiasedAdaptive
ATVA structure
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AVAA4
UnbiasedAdaptive
AVAA structure
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AVCA4
UnbiasedAdaptive
AVCA structure
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AVDA4
UnbiasedAdaptive
AVDA structure
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AVEA4
UnbiasedAdaptive
AVEA structure
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AVFA4
UnbiasedAdaptive
AVFA structure
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AVGA4
UnbiasedAdaptive
AVGA structure
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AVHA4
UnbiasedAdaptive
AVHA structure
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AVIA4
UnbiasedAdaptive
AVIA structure
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AVKA4
UnbiasedAdaptive
AVKA structure
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AVLA4
UnbiasedAdaptive
AVLA structure
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AVMA4
UnbiasedAdaptive
AVMA structure
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AVNA4
UnbiasedAdaptive
AVNA structure
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AVPA4
UnbiasedAdaptive
AVPA structure
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AVQA4
UnbiasedAdaptive
AVQA structure
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AVRA4
UnbiasedAdaptive
AVRA structure
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AVSA4
UnbiasedAdaptive
AVSA structure
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AVTA4
UnbiasedAdaptive
AVTA structure
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AVVA4
UnbiasedAdaptive
AVVA structure
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AVWA4
UnbiasedAdaptive
AVWA structure
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AVYA4
UnbiasedAdaptive
AVYA structure
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AWVA4
UnbiasedAdaptive
AWVA structure
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AYVA4
UnbiasedAdaptive
AYVA structure
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1AW824
0.0–12.5
UnbiasedCpHMD
1AW8 structure
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3DBO34
0.0–12.5
UnbiasedCpHMD
3DBO structure
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4N3Y35
0.0–12.5
UnbiasedCpHMD
4N3Y structure
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4C2M44
0.0–12.5
UnbiasedCpHMD
4C2M structure
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1OJH52
0.0–12.5
UnbiasedCpHMD
1OJH structure
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2P5854
0.0–12.5
UnbiasedCpHMD
2P58 structure
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3HTK60
0.0–12.5
UnbiasedCpHMD
3HTK structure
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3DGP62
0.0–12.5
UnbiasedCpHMD
3DGP structure
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4F9862
0.0–12.5
UnbiasedCpHMD
4F98 structure
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2OXL62
0.0–12.5
UnbiasedCpHMD
2OXL structure
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