Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNL-----LIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRV--DCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQ---------------TGESS-----------YSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLN----KQGDVRPL------KEALISHYEIT------VLTKPLLEQAAQLTGNDELRELLAP---GNEENVKAYIEGR-DLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAH-GRERKGVCSILCAERLQPGDT-----LPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQER---EETGAE-GKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAA-VYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY 1JA1 Chain:A ((22-621)) -----------------------------------------------------------------RNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFCMATYGEGDPTDNAQDFYDWLQETDV-DLTGVKFAVFGLGNKTYEHFNAMGKYVDQRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVCEFFGVEATGEESSIRQYELVVHEDMDVAKVYTGEMGRLKSYENQKPPFDAKNPFLAAVTANRKLN-QGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQIGEILGADLDVIMSLNNLDEESNKKHPFPCPTTYRTALTYYLDITNPPRTNVLYE-LAQYASEPSEQEHLHKMASSSGEGKELYLSWVVEARRHILAILQDYPSLRPPIDHLCELLPRLQARYYAIASSSKVHPNSVHICAVAVEYEAKSGRVNKGVATSWLRAKEPAGENGGRALVPMFVRKSQ-FRLPFKSTTPVIMVGPGTGIAPFMGFIQERAWLREQGKEVGETLLYYGCRRSDEDYLYREELARFHKDGALTQLNVAFSREQAHKVYVQHLLKRDREHLWKLIHEGGAHIYVAGDARNMAKDVQNTFYDIVAEFGPMEHTQAVDYVKKLMTKGRYSLNVW

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 : 2904 110371 38.01 205.92 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 38.01 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.542

(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: