Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------MDKTSLIGIILAFVALSVGMVLKGVSFSALAN-------PAAILIIIAGTISAVVIAF-------PTKEIKKV------PTLFRVLF---KENK-QLTIEELIPM-FSEWAQLARREGLLALEASIEDVDDAFLKNGLSMAVDGQSAEFIRDIMTEEVEAMEDRHQAGAAIFTQAGTYAPTLGVLGAVIGLIAALSHMDNTDELGHAISAAFVATLLGIFTGYVLWHPFANKLKRKSKQEVKLREVMIEGVLSVLEGQAPKVIEQKLLMYLPAKDRLKF-AEQGEAQNGEKKEEEA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2CSB Chain:A ((3-519)) LVYDAEFVGSEREFEEERETFLKGVKAYDGVLATRYLMERSSSAKNDEELLELHQNFILLTGSYACSIDPTE---------DRYQNVIVRGVNFDERVQRLSTGGSPARYAIVYRRGWRAIAKALDIDEEDVPAIEVRAVKRNPLQPALYRILVRYGRVDLMPVTVDEVPPEMAGEFERLIERYDV---------------------PIDEKEERILEILRENP--------------WTPHDEIARRLG-----------LSVSEVEGEKDPESS--------GIYSLWSRVVVNIEYDERTAKRHVKRRDRLLEELYEHLEELSERYLRHPLTRRWIVEHKRDIMRRYLEQRIVECALKLQDRYGIREDVALCLARAFDGSISMIATTPYRTLKDVCPDLTLEEAKSVNRTLATLIDEHGLSPDAADELIEHFESIAGILATDLEEIERMYEEGRLSEEAYRAAVEIQLAELTKKEGVGRKTAERLLRAFGNPERVKQLAREFEIEKLASVEGVGERVLRSLVPGYASLISIRGIDRERAERLLKKYGGYSKVREAGVEELREDGLTDAQIRELKGLK

General information: TITO was launched using: RESULT: Template: 2CSB.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 : 673 -61598 -91.53 -297.57 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -91.53 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_2CSB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CSB-query.scw PDB file : Tito_Scwrl_2CSB.pdb: