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 3OJW Chain:A ((22-621)) -----------------------------------------------------------------RNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDKSLVVFAMATYGEGDPTCNAQDFYDWLQETDV-DLTGVKFAVFGLGNKTYEHFNAMGKYVDQRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWPAVAEFFGVEATGEESSIRQYELVVHEDMDVAKVYTGEMGRLKSYENQKPPFDAKNPFLAAVTANRKLN-QGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQIGEILGADLDVIMSLNNLDEESNKKHPFPTPTTYRTALTYYLDITNPPRTNVLYE-LAQYASEPSEQEHLHKMASSSGEGKELYLSWVVEARRHILAILQDYPSLRPPIDHLLELLPRLQARYYSIASSSKVHPNSVHITAVAVEYEAKSGRVNKGVATSWLRAKEPAG--RALVPMFVCKSQ-FRLPFKSTTPVIMVGPGTGIAPFMGFIQERAWLREQGKEVGETLLYYGARRSDEDYLYREELARFHKDGALTQLNVAFSREQAHKVYVQHLLKRDREHLWKLIHEGGAHIYVCGDARNMAKDVQNTFYDIVAEFGPMEHTQAVDYVKKLMTKGRYSLDVW

General information: TITO was launched using: RESULT: Template: 3OJW.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 : 2855 134818 47.22 252.47 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 47.22 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_3OJW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OJW-query.scw PDB file : Tito_Scwrl_3OJW.pdb: