Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQ---LK--KVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDY--DEPAAEWLEGVLKGLNEAG-GGSAAPAP--A----A--A--S---------------QTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLN----------KQGDVRPLKEALISHYEITVL-TKPLLEQAAQLTGNDE----LRELLA--PGNEENVKAYI--EGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDA-HGRERKGVCSILCAERLQPGD--TLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETG----AEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDE-KHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY 3QE2 Chain:A ((12-617)) ----------------------------------------------------------EKMKKTGRNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDNALVVFCMATYGEGDPTDNAQDFYDWLQETD-VDLSGVKFAVFGLGNKTYEHFNAMGKYVDKRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWLAVCEHFGVEAT---SSIRQYELVVHTDIDAAKVYMGEMGRLKSYENQKPPFDAKNPFLAAVTTNRKLNQG-TERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQLGKILGADLDVVMSLNNLDEESNKKHPFPCPTSYRTALTYYLDITNPPRTNVLYELAQYASEPSEQELLRKMASSSGEGKELYLSWVVEARRHILAILQDCPSLRPPIDHLCELLPRLQARYYSIASSSKVHPNSVHICAVVVEYETKAGRINKGVATNWLRAKEPV--RALVPMFV-RKSQFRLPFKATTPVIMVGPGTGVAPFIGFIQERAWLRQQGKEVGETLLYYGCRRSDEDYLYREELAQFHRDGALTQLNVAFSREQSHKVYVQHLLKQDREHLWKLIEGGAHIYVCGDARN-MARDVQNTFYDIVAELGAMEHAQAVDYIKKLMTKGRYSLDVW

General information: TITO was launched using: RESULT: Template: 3QE2.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 : 2921 99456 34.05 184.86 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 34.05 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_3QE2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QE2-query.scw PDB file : Tito_Scwrl_3QE2.pdb: