pHaseMD4AI
pHaseMD4AI
Phase-Space MD Dataset

Residues

Browse standard residues and modified residues used in pHaseMD4AI.

Supports residue names, one-letter amino-acid codes, PTM labels such as K[SUC], R[CBM], phosphorylation labels such as K[SP1], and CpHMD labels such as H*.

Standard

Ala
Ala Alanine A
Alanine residue.
Arg
Arg Arginine R
Arginine residue.
Asn
Asn Asparagine N
Asparagine residue.
Asp
Asp Aspartate D
Aspartate residue.
Cys
Cys Cysteine C
Cysteine residue.
Gln
Gln Glutamine Q
Glutamine residue.
Glu
Glu Glutamate E
Glutamate residue.
Gly
Gly Glycine G
Glycine residue.
His
His Histidine H
Histidine residue.
Ile
Ile Isoleucine I
Isoleucine residue.
Leu
Leu Leucine L
Leucine residue.
Lys
Lys Lysine K
Lysine residue.
Met
Met Methionine M
Methionine residue.
Phe
Phe Phenylalanine F
Phenylalanine residue.
Pro
Pro Proline P
Proline residue.
Ser
Ser Serine S
Serine residue.
Thr
Thr Threonine T
Threonine residue.
Trp
Trp Tryptophan W
Tryptophan residue.
Tyr
Tyr Tyrosine Y
Tyrosine residue.
Val
Val Valine V
Valine residue.

Methylation

LysSUC
Lys SUC KSUC succinylation
Lysine residue with an ε-N-succinyl modification.
LysLAC
Lys LAC KLAC lactylation
Lysine residue with an ε-N-lactyl modification.
LysAC
Lys AC KAC acetylation
Lysine residue with an ε-N-acetyl modification.
LysN6C
Lys N6C KN6C
Lysine residue with an ε-N-crotonyl modification.
LysN1M
Lys N1M KN1M methylation
Lysine residue with an ε-N-monomethyl modification.
LysN2M
Lys N2M KN2M methylation
Lysine residue with an ε-N-dimethyl modification.
LysN3M
Lys N3M KN3M methylation
Lysine residue with an ε-N-trimethyl modification.
LysCBM
Lys CBM KCBM carbamylation
Lysine residue with an ε-N-carbamyl modification.
ArgCBM
Arg CBM RCBM carbamylation
Arginine residue with an Nω-carbamyl guanidino group.
ArgCIR
Arg CIR RCIR citrullination
Arginine residue converted to a citrullinated side chain.

Phosphorylation

SerPho-1
Ser Pho-1 SP1 phosphorylation
Serine residue with a monoanionic O-phosphate group.
SerPho-2
Ser Pho-2 SP2 phosphorylation
Serine residue with a dianionic O-phosphate group.
TyrPho-1
Tyr Pho-1 YP1 phosphorylation
Tyrosine residue with a monoanionic O-phosphate group.
TyrPho-2
Tyr Pho-2 YP2 phosphorylation
Tyrosine residue with a dianionic O-phosphate group.
ThrPho-1
Thr Pho-1 TP1 phosphorylation
Threonine residue with a monoanionic O-phosphate group.
ThrPho-2
Thr Pho-2 TP2 phosphorylation
Threonine residue with a dianionic O-phosphate group.

Protonation

His
Histidine protonation-state variants.
CpHMD
HisδP
His δP
HisεP
His εP
Hisδ+εP
His δ+εP