Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKKFLFQIHWFLGISAGLILSIMGVTGAIYSYDQQILKWVNTDSYVVQAQSSPKLTPAQLYQHFTTIQPEIKINSITIAKDATASSVVNIEKEGERRGYNMMVNPYTAQVLPEVQGRKLLLLIQQIHRNLTAGEFGKQITGACALMLIYFVLSGLYLRWPKKHSARQWLAVKPKLKGRNFIWDLHAVVGTWVIVFYLLFACTGLYWSYDWWRSGMFKVLGVEQPKMQGHGGSGRNKDQLPKIQLDNAQLITALNQTWSGFNNQIGRDYSTLTVNLPKKDDGKIELSFVDATPQHERARNQAVYNYKTANIEKMELYEDKKLNQKIMSSMLPVHRGSFFGPVYQFVAMLASLAMPLFFVTGWMLYLKRRKQKKLTQAARQSLAGHYIDQNAKPWLITYATQTGVAEQLAWRTATSLQEA-HQPVQVKSVQQLTEADLQQHEQIL-FVISTYGTGEAPDLASNFAKKLLKTN-LRLQHVKYAVLALGSKEYPDTYCSFGHTVDDWLKNNGAKALFDIIEVDNAN---PADIQNWNQALVKATKLDLHAVN-----------------I-------------------------------EKVFDNWTLQQRDLLNPNSLGQPAYNIELTANH-EAIWQAGDIAEIQPGNSPERINKFLQHHHILKNAVVDSLQV------SI-------------------E-------------------KALW------------------NKDLTGEIEP-----FANLDHLLEQLPTLPTREYSIASIPSQ--QVLRLVVRQQYDESDDLDLDLGLGLGLGLGLGLGSGWLTQHTEINQ------------NVALRIRTNE--------------SFHLIDD-NRPIICIGNGTGIAGLMSLLHTRTRH-----------NYTENWLIFGERQRAHDFFYASTIEAWQTM-GMLKRLDLAFSRDQE-QRVYVQDIIQQNAAELINWIERGAVLYVCGSI-DGMASGVDQALIHILGEEQ----------VDELRQQGRYRRDVY 2BF4 Chain:B ((44-682)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVTENNKNYLVLYASQTGTAEDYAKKFSKELVAKFNLNVMCADVENYDFESLNDVPVIVSIFISTYGEGDFPDGAVNFEDFICNAEAGALSNLRYNMFGLGNSTYEF-FNGAAKKAEKHLSAAGAIRLGKLGEADDGAGTTDEDYMAWKDSILEVLKDELHLDEQEAKFTSQFQYTVLNEITDSMSLGEPSAHYLPSHQLNRNADGIQLGPFDLSQPYIAPIVKSRELFSS-NDRNCIHSEFDLSGSNIKYSTGDHLAVWPSNPLEKVEQFLSIFNLDPETIFDLKPLDPTVKVPFPTPTTIGAAIKHYLEITGPVSRQLFSSLIQFAPNADVKEKLTLLSKDKDQFAVEITSKYFNIADALKYLSDGAKWDTVPMQFLVESVPQMTPRYYSISSSSLSEKQTVHVTSIVENFPNP-------ELPDAPPVVGVTTNLLRN-IQLAQNNVNIAETNLPVHYDLNG-PRKLFANYKLPVHVRRSNFRLPSNPSTPVIMIGPGTGVAPFRGFIRERVAFLESQKKGGNNVSLGKHILFYGSRNTDD-FLYQDEWPEYAKKLDGSFEMVVAHSRLPNTKKVYVQDKLKDYEDQVFEMINNGAFIYVCGDAKGMAKG-VSTALVGILSRGKSITTDEATELIKMLKTSGRYQEDVW

General information: TITO was launched using: RESULT: Template: 2BF4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2501 14817 5.92 31.93 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : 5.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_2BF4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BF4-query.scw PDB file : Tito_Scwrl_2BF4.pdb: