Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKKFLFQIHWFLGISAGLILSIMGVTGAIYSYDQQILKWVNTDSYVVQAQSSPKLTPAQLYQHFTTIQPEIKINSITIAKDATASSVVNIEKEGERRGYNMMVNPYTAQVLPEVQGRKLLLLIQQIHRNLTAGEFGKQITGACALMLIYFVLSGLYLRWPKKHSARQWLAVKPKLKGRNFIWDLHAVVGTWVIVFYLLFACTGLYWSYDWWRSGMFKVLGVEQPKMQGHGGSGRNKDQLPKIQLDNAQLITALNQTWSGFNNQIGRDYSTLTVNLPKKDDGKIELSFVDATPQHERARNQAVYNYKTANIEKMELYEDKKLNQKIMSSMLPVHRGSFFGPVYQFVAMLASLAMPLFFVTGWMLYLKRRKQKKLTQAARQSLAGHYIDQNAKPWLITYATQTGVAEQLAWRTATSLQEAHQPVQVKSVQQLTEADLQ-----QHEQILFVISTYGTGEAPDLASNFAKKLLKTNLRLQHVKYAVLALGSKEYPDTYCSFGHTVDDWLKNNGAKALFDIIEVDNA--NPADIQNWNQALVKATKLDLHAVN-----------------------------------------IEKVFDNWTLQQRDLLNPNSLGQPAYNIELTANH-EAIWQAGDIAEIQPGNSPERINKFLQHHHILKNAVVDSLQV--------SI-------------------E-------------------KALW----------------------NKDLT-GEIEPFANLDHLLEQLPTLPTREYSIASIPSQ--QVLRLVVRQQYDESDDLDLDLGLGLGLGLGLGLGSGWLTQHTEINQ------NVALRIRTNESFHLIDD-NRPIICIGNGTGIAGLMSLLHTRTRHN-----YTENWLIFGERQRAHDFFYASTIEAWQTMGMLKRLDLAFSRDQEQRVYVQDIIQQNAAELINWI-ERGAVLYVCGSI-DGMASGVDQALIHILGEEQ----------VDELRQQGRYRRDVY 1JA1 Chain:A ((16-621)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMKKTGRNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFCMATYGEGDPTDNAQDFYDWLQETDVDLTGVKFAVFGLGNKTYEH-FNAMGKYVDQRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVCEFFGVEATGEESSIRQYELVVHEDMDVAKVYTGEMGRLKSYENQKPPFDAKNPFLAAVTANRKLNQG-TERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQIGEILGADLDVIMSLNNLDEESNKKHPFPCPTTYRTALTYYLDITNPPRTNVLYELAQYASEPSEQEHLHKMASSSGEGKELYLSWVVEARRHILAILQDYPSLRPPIDHLCELLPRLQARYYAIASSSKVHPNSVHICAVAVEYEAK----------SGRVNKGVATSWLRA-KEPAGENGGRALVPMFV-RKSQFRLPFKSTTPVIMVGPGTGIAPFMGFIQERAWLREQGKEVGETLLYYGCRRSDEDYLYREELARFHKDGALTQLNVAFSREQAHKVYVQHLLKRDREHLWKLIHEGGAHIYVAGDARNMAKD-VQNTFYDIVAEFGPMEHTQAVDYVKKLMTKGRYSLNVW

General information: TITO was launched using: RESULT: Template: 1JA1.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 : 2407 39248 16.31 84.95 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 16.31 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_1JA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JA1-query.scw PDB file : Tito_Scwrl_1JA1.pdb: