Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDILENPLELCGFAFIEFVSKENELDPIFETIGFSKVAKHKSKKAYLWRQGNINIILNYQPESYASFFFNEHGPSACAMGFKTRDAAKAFKKAVELGAEPMYSKVGPMELN----IPAIKGIGGMPIFLVDC---DIYENDFV----FFDDAQRNPEGAGLKEIDHLTHNV--YKGRMEYWANFYEKIFNFQEIRYFDIKGEYTGLTSKALTAPDGMIRIPLNE--DSDKGNGQIAEFLADFNGEGIQHIAFICDDLISTWDKLKGL----GLKFMTPPPNTYYEMLEERLPE--HGEPTEELKQRCILLDGSTKDGQKKLLLQIFSENM--IGPVFFEFIQR-----KDDDG--------FGEGNFKALFESIERDQIRRGVLEAK 1SQD Chain:A ((110-410)) -------------------------------------------------------------------FFSSHGLGVRAVAIEVEDAESAFSISVANGAIP---SSPPIVLNEAVTIAEVKLYGDVVLRYVSYKAE------FLPGFERVEDASSFPLDYGIRRLDHAVGNVPELGPALTYVAGF-TGFHQFAEFT--------SGLNSAVLASNDEMVLLPINEPVHG---KSQIQTYLEHNEGAGLQHLALMSEDIFRTLREMRKRSSIGGFDFMPSPPPTYYQNLKKRVGDVLSDDQIKECEELGILVD---RDDQGTLL-QIFTKPLGDRPTIFIEIIQRVGCMM-----YQSGGCGGFGKGNFSELFKSI-------------

General information: TITO was launched using: RESULT: Template: 1SQD.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 : 1022 -8882 -8.69 -36.85 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -8.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_1SQD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQD-query.scw PDB file : Tito_Scwrl_1SQD.pdb: