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

Showing 150 of 574

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
ANA3
UnbiasedAdaptive
ANA structure
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AANA4
UnbiasedAdaptive
AANA structure
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ACNA4
UnbiasedAdaptive
ACNA structure
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ADNA4
UnbiasedAdaptive
ADNA structure
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AENA4
UnbiasedAdaptive
AENA structure
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AFNA4
UnbiasedAdaptive
AFNA structure
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AGNA4
UnbiasedAdaptive
AGNA structure
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AHNA4
UnbiasedAdaptive
AHNA structure
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AINA4
UnbiasedAdaptive
AINA structure
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AKNA4
UnbiasedAdaptive
AKNA structure
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ALNA4
UnbiasedAdaptive
ALNA structure
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AMNA4
UnbiasedAdaptive
AMNA structure
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ANAA4
UnbiasedAdaptive
ANAA structure
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ANCA4
UnbiasedAdaptive
ANCA structure
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ANDA4
UnbiasedAdaptive
ANDA structure
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ANEA4
UnbiasedAdaptive
ANEA structure
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ANFA4
UnbiasedAdaptive
ANFA structure
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ANGA4
UnbiasedAdaptive
ANGA structure
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ANHA4
UnbiasedAdaptive
ANHA structure
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ANIA4
UnbiasedAdaptive
ANIA structure
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ANKA4
UnbiasedAdaptive
ANKA structure
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ANLA4
UnbiasedAdaptive
ANLA structure
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ANMA4
UnbiasedAdaptive
ANMA structure
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ANNA4
UnbiasedAdaptive
ANNA structure
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ANPA4
UnbiasedAdaptive
ANPA structure
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ANQA4
UnbiasedAdaptive
ANQA structure
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ANRA4
UnbiasedAdaptive
ANRA structure
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ANSA4
UnbiasedAdaptive
ANSA structure
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ANTA4
UnbiasedAdaptive
ANTA structure
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ANVA4
UnbiasedAdaptive
ANVA structure
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ANWA4
UnbiasedAdaptive
ANWA structure
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ANYA4
UnbiasedAdaptive
ANYA structure
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APNA4
UnbiasedAdaptive
APNA structure
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AQNA4
UnbiasedAdaptive
AQNA structure
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ARNA4
UnbiasedAdaptive
ARNA structure
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ASNA4
UnbiasedAdaptive
ASNA structure
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ATNA4
UnbiasedAdaptive
ATNA structure
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AVNA4
UnbiasedAdaptive
AVNA structure
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AWNA4
UnbiasedAdaptive
AWNA structure
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AYNA4
UnbiasedAdaptive
AYNA 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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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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3ZDO63
0.0–12.5
UnbiasedCpHMD
3ZDO structure
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3PP563
0.0–12.5
UnbiasedCpHMD
3PP5 structure
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