Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKTTVTDALYAGCEAVVKIAWLNGLWL------LFTLLGGVLFGWAPSTAAMCAVIRKWLMGQKDVPIFSLFLDTYKKEFLKV-----NAIGLAFSALLLILSANYHYFSASTNWLSFAVTSCTLLAGLLYIIALMYVFPLYVHYQLPLRKYIPQALLFGAMRPLTTGCMLIGCGFVLYLLYTLPGLIPFYGPCLFGLVLMFFALRGFQKTEAQHHQAG 2IQC Chain:A ((12-210)) EDSLMKTQAELLLERLQEVRPARFLSSLWERLPQNNFLKVIAVALLQPGS------QVLVHWLLG--NSEVFAAFCRALPAGLLTLVTSRHPALSPVYLGLLTDWGQRLHYDLQKGIWVGTESQD-------VPWEELHNRFQSLCQAPPPLKDKVLTALE--TCKAQDGDFEVPGLSIWTDLLLALRS--------------------------------G

General information: TITO was launched using: RESULT: Template: 2IQC.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 : 575 -127506 -221.75 -801.92 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -221.75 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_2IQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IQC-query.scw PDB file : Tito_Scwrl_2IQC.pdb: