import pandas as pd import numpy as np from add_sequence import * def create_isoforms(uniprot_id, isoform_fasta): if uniprot_id not in isoform_fasta.uniprotID.to_list(): isoform_current = pd.DataFrame(get_isoforms(uniprot_id).items(), columns=['uniprotID', 'isoformSequence']) isoform_current['whichIsoform'] = isoform_current['uniprotID'].apply(lambda x: x[7:10].strip()) isoform_current['uniprotID'] = isoform_current['uniprotID'].apply(lambda x: x[0:6]) isoform_fasta = pd.concat([isoform_fasta, isoform_current], axis=0) return isoform_fasta def add_isoform(isoform_fasta, uniprot_id, variation_position, wild_type): if len(isoform_fasta) != 0: isoList = isoform_fasta[isoform_fasta['uniprotID'] == uniprot_id].isoformSequence.to_list() for k in isoList: if len(k) >= int(variation_position): resInIso = k[int(int(variation_position) - 1)] if wild_type == resInIso: whichIsoform_ = isoform_fasta[isoform_fasta.isoformSequence == k].whichIsoform.to_list()[0] wt_sequence_match = 'i' break else: whichIsoform_ = np.NaN wt_sequence_match = np.NaN else: whichIsoform_ = np.NaN wt_sequence_match = np.NaN return whichIsoform_, wt_sequence_match def add_uniprot_sequence(DATAFRAME): CANONICAL_FASTA = pd.DataFrame(columns=['uniprotID', 'uniprotSequence']) ISOFORM_FASTA = pd.DataFrame(columns=['uniprotID', 'isoformSequence']) UNIPROT_ID_LIST = list(set(DATAFRAME['uniprotID'].to_list())) for i in range(len(UNIPROT_ID_LIST)): CANONICAL_FASTA.at[i, 'uniprotSequence'] = get_uniprot_seq(UNIPROT_ID_LIST[i]) CANONICAL_FASTA.at[i, 'uniprotID'] = UNIPROT_ID_LIST[i] canonical_fasta = CANONICAL_FASTA.drop_duplicates() DATAFRAME = DATAFRAME.merge(canonical_fasta, on='uniprotID', how='left') DATAFRAME['uniprotSequence'].replace({'': np.NaN}, inplace=True) for i in DATAFRAME.index: UNIPROT_ID = DATAFRAME.at[i, 'uniprotID'] VARIATION_POSITION = DATAFRAME.at[i, 'pos'] WILDTYPE = DATAFRAME.at[i, 'wt'] if len(DATAFRAME.loc[i, 'uniprotSequence']) >= int(VARIATION_POSITION): can = str(DATAFRAME.at[i, 'uniprotSequence'])[int(VARIATION_POSITION) - 1] if WILDTYPE == can: DATAFRAME.loc[i, 'wt_sequence_match'] = 'm' elif WILDTYPE != can: ISOFORM_FASTA = create_isoforms(UNIPROT_ID, ISOFORM_FASTA) ISOFORM_NUM, MATCH_STAT = add_isoform(ISOFORM_FASTA, UNIPROT_ID, VARIATION_POSITION, WILDTYPE) ISOFORM_SEQUENCE = ISOFORM_FASTA[(ISOFORM_FASTA['uniprotID'] == UNIPROT_ID) & (ISOFORM_FASTA['whichIsoform'] == ISOFORM_NUM)].isoformSequence.values DATAFRAME.at[i,'whichIsoform'] = ISOFORM_NUM DATAFRAME.at[i, 'wt_sequence_match'] = MATCH_STAT DATAFRAME.at[i, 'uniprotSequence'] = ISOFORM_SEQUENCE elif len(DATAFRAME.at[i, 'uniprotSequence']) < int(VARIATION_POSITION): ISOFORM_FASTA = create_isoforms(ISOFORM_FASTA, UNIPROT_ID) ISOFORM_NUM, MATCH_STAT = add_isoform(ISOFORM_FASTA, UNIPROT_ID, VARIATION_POSITION, WILDTYPE) ISOFORM_SEQUENCE = ISOFORM_FASTA[(ISOFORM_FASTA['uniprotID'] == UNIPROT_ID) & ( ISOFORM_FASTA['whichIsoform'] == ISOFORM_NUM)].isoformSequence.values DATAFRAME.at[i, 'whichIsoform'] = ISOFORM_NUM DATAFRAME.at[i, 'wt_sequence_match'] = MATCH_STAT DATAFRAME.at[i, 'uniprotSequence'] = ISOFORM_SEQUENCE DATAFRAME['uniprotSequence'] = DATAFRAME['uniprotSequence'].apply(lambda x: x[0] if (type(x) != str and len(x)>0) else x) DATAFRAME['uniprotSequence'] = DATAFRAME['uniprotSequence'].apply(lambda x: np.NaN if (type(x) != str and len(x) == 0) else x) print('>> Sequence files created...\n') return DATAFRAME