Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAKDEYFLETSSSKRIIVCLLDVFVSISTIRYLFFIARCENMFHNREVRKKLSNGGQKMKTVILAEKPSQAKAYAETFQQQKRHEGYYEISDPLFAGEVTITYGFGHLVDMVAPGAYEERWAKWSLENLPIFPETFRYEVPMDKRAQFSIVKRELQSADTIIIATDGDREGEAIAWSIIRQANAFSKEKNYLRLWINSLEKEAIYEGFKNLQPGKNYFPKYKEAQARQNADWLIGMNGSPLYSLLLQRKGIDGSFSLGRVQTPTLYMIYQLQEEIKHFKKETYFEGEGLITTNKGQFSGKIVPKKAFKTQEELTKEIEKLGAH-LGKQNGRILEVTKKEKRLHSPRLFSLSSLQTKMNQLMKASAKATLDAAQGLYESKFLSYPRTDSFYITENEHQYLVKHLQNY--KKFLGIEEVQTTEIKAKKRYVDAKKVQE-HHAIIPTKTIPTPARFAKLSKLQQAIYLQVLRTTVAMFAADYIYEETTVMTGVQQLKLKSIGKIPLQQGWQEILRIKSKKKEAQTLPPIVENEEAE-VELKSMEKETQPPKPYTEGTLITAMKTAGKTLDNDEAQEILKEVEGIGTEATRANIIENLKQKHYIEVNKNEITVTPKG-ITLCKAVANEPLLTSAEMTARWEGYLRKIGKQEGTPSVFLENIKKFILHLLAEVPNQIDKVDFSDEISGTRQIKAMEKKNDQLGRCPKCKKGIVMLYPKIATCLNPECDFKLWPTVAKKKLTKTNLRDLLSKGKTSKVVKGFTGKKGKFDAVLVLKEDMTIGFSFPWIENSGTKAVDGNKETSRKNNENEVE 3PWT Chain:A ((83-588)) ------------------------------------------------------------------------------------------------------------------------------------------YEVLPGKEKVVSELKQLAEKADHIYLATNLDREGEAIAWH-LREVIG-GDDARYSRVVFNEITKNAIRQAFN--KPGELNIDRVNAQQARRFMDRVVGYMVSPLLW-----KKIARGLSAGRVQSVAVRLVVEREREIKAFVPEEFWEVDASTTTPSGEALALQVTHQNDKPFRPVNKEQTQAAVSLLEKARYSVLEREDKPTTSKPGAPFITSTLQQAASTRLGFGVKKTMMMAQRLYEAGYITYMRTDSTNLSQDAVNMVRGYISDNFGKKYLP---------ESPNQYA-------AHEAIRPSDVNVMAESLKDMEADAQKLYQLIWRQFVACQMTPAKYDSTTLTVGAGDFRLKARGRILRFDGWTKVMPALR---EDRILPAVNKGDALTLVELTPAQHFTKPPARFSEASLVKEL-----------------EKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTAQMENSLDQVANHEAEWKAVLD-------HFFSDFTQQLDKAEKDPEEGGMR-------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PWT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2313 70484 30.47 143.84 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 30.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_3PWT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PWT-query.scw PDB file : Tito_Scwrl_3PWT.pdb: