Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTN-----LLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISP--RVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGES--------------------------SYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVR----------PLKEALISHYEIT-VLTKPLLEQAAQLTGNDELRELLAPG---NEENVKAYIE-----GRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAH-GRERKGVCSILCAERLQPGD-----TLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGK----AWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWL-QEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY- 1JA1 Chain:A ((7-622)) --------------------------------------------------PVKESSFVEKMKKTGRNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFCMATYGEGDPTDNAQDFYDWLQETD-VDLTGVKFAVFGLGNKTYEHFNAMGKYVDQRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVCEFFGVEATGEESSIRQYELVVHEDMDVAKVYTGEMGRLKSYENQKPPFDAKNPFLAAVTANRKLN-QGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQIGEILGADLDVIMSLNNLDEESNKKHPFPCPTTYRTALTYYLDITNPPRTNVLYELAQYASEPSEQEHLHKMASSSGEGKELYLSWVVEARRHILAILQDYPSLRPPIDHLCELLPRLQARYYAIASSSKVHPNSVHICAVAVEYEAKSGRVNKGVATSWLRAKEPAGENGGRALVPMFVRKS-QFRLPFKSTTPVIMVGPGTGIAPFMGFIQERAWLREQGKEVGETLLYYGCRRSDEDYLYREELARFHKDGALTQLNVAFSREQAHKVYVQHLLKRDREHLWKLIHEGGAHIYVAGDARNMAKDVQNTFYDIVAEFGPMEHTQAVDYVKKLMTKGRYSLNVWS

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 : 3006 117323 39.03 212.54 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 39.03 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.544

(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: