Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCINFLVCASLSMFRTSVSGARVPIGAWPDRGGE-VRDAVLSVFRR-NEYMREIDTGARVASPGTGCDGLVGTCPVDKPVDSVAVGVLARF----LAQLTLVRKEALPALPAEWSRNERDSRAYLDTLVRHAKRRMLDPNWTAIGGLFAVLGVPGDRLVRFAEQVPAMSRRPYGLLLTNLARDNVTILEGPKLAEAGLDWTSASYGDPLHGLAGHVVRMRYPQDQVNEVVQAWACEMRRIRPPAVSGLDRDLPYYLDFERIHAAYDDVIRAARSLGDSIENLALLAAASDIGTALKRAAGLLGMSEVPPEKEIADALFRWQAARLVRAAERVPDSLFRWRCDDRVPERDDFPSDLVRRALAVEGVAPADRVFRGTAHLNTVVQLENYPDPVVVRRETAAAPRREQGLLPEHAVLQVIERSGVQVRAPRILALGYDDRRRHVAIHTYEGPGGRSPQHPVDGLLPAEADELVDELAALAEVDHSSLPSNEPEGGFYRWLAERLADFVAALPDATLRAADQRGLPDGDLLRQILGRYKVSDRAPVLLHGDLNPWNLVRAGRQGGLTIIDWEMGMIGDPLYDLVRHLHLTPTRTE-MRVRMFDRWSKKLPAECVVGWEEDWRVYRYIEQIRSAYV------------DLDRMTTGAALSTPNVRRAVDAYEMTLSAATGSLGLRRRVVPKVPASLKVS 4PQG Chain:A ((6-511)) --HHHMTIYNINL----------GIG-WASSGVEYAQAYRAGVFRKLNLSSKFIFTDMILADN---IQHLTANIGFD---DNQVIWLYNHFTDIKIAPTSVTVDDVLAYFGGEESHREKNGKVLRVFF------------FDQDKFVTCYLVDENKDLVQHAEYVFKG---------NLIRKDYFS-----------YTRYCSEYFAPKDNVAVLYQRTFYNEDGT----PVYDILMNQ---------GKEEVYHFKDKIFYGKQAFVRAFMKSLNLNKSDLVILDRETGIGQVVFEEA---------------------QTAHLAVVV-----------HAEHYSENATNEDYILWNNYYDYQFTNADKV-----------------DFFIV------STDRQNEVLQEQFAKYTQHQPKIVT-----IPVGSIDSLT-------DSSQGRKPF----SLITASR---------LAKEKH------------IDWLVKAVIEAHKELPELTFDIYGSGG--EDSLLREIIANHQAEDYIQLKGHAELSQ------------IYSQYE--------------VYLTASTSEGFGLTLMEAIGSGLP---LIGFDVPYGNQTFIEDGQNGYLIPSSSDHVEDQIKQAYAAKICQLYQENRLEAMRAYSYQIAEGFLTKEILEKWKKTVEEVLHD-

General information: TITO was launched using: RESULT: Template: 4PQG.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 : 2627 90613 34.49 186.06 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 34.49 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.175

(partial model without unconserved sides chains): PDB file : Tito_4PQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pqg-query.scw PDB file : Tito_Scwrl_4PQG.pdb: