Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKICYVLLSLVCVFLFSGCSAGEEASGKKEDVTLRIAWWGGQPRHDYTTKVIELYEKKNPHVHIEAEFANWDDYWKKLAPMSAA-GQLPDVIQMDTAYLAQYGKKNQLEDLTPYTKDGTIDVSSIDENMLSGGKIDNKLYGFTLGVNVLSVIANEDLLKKAGVSINQENWTWEDYEKLAYDLQEK-AGVYGSNGMHP-PDI----FFPYYLRTKGERFYKEDGTGLAYQDDQLFVDYFERQLRLVKAKTSPTPDESAQIKGMEDDFIVKGKSAITWNYSNQYLGFARL----TDSPLSLYLPPEQMQEKALTLKPSMLFSIPKSSEHKKEAAKFINFFVNNEEANQLIKGERG--VPV--SDKVADAIKPKLNEEETNIVE-YVETASKNI---SK-ADPP-------EPVGSAEVIKLLKDTSDQILYQKVSPEKAAKTFRKKANEILERNN 4RYA Chain:A ((7-420)) -------------------------------AETLTIATVNNG-DMIRMQKLTDDFTKKNPGIDVKWVTLEENVLRQKVTTDVATKGGQYDVMTIGIYEAPIWGKQGWLAPLDKLSADKDYDAADLLPPVRSGLTVDGKLYAAPFYAESSMVMYRKDLFEKAGLKMP-EAPTWDFIKEAADKITDKSKEVYGICLRGKAGWGENIAFLSAMSNSFGARWFDEQW-KPQFDQP-EWKKTLQFYVDLMKKNG-PPGASSNGF-NENLALFQTGKCGMWIDATVAASFVTNPKESKVADQVGFALAPDNGLGKRGNWLWSWNLAIPAGSKKVEAAEKFIAWATSKDYLKLVAEKDGWANVPPGTRTSLYANAD-YQK--AAPFAKMTLDSINSADPKHPTVKPVPYEGVQYVAIPEFQGIGTAVGQQFSAALAGQTTVDQALKTAQTLTEREMKKAG

General information: TITO was launched using: RESULT: Template: 4RYA.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 : 2177 -126199 -57.97 -326.09 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -57.97 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4RYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RYA-query.scw PDB file : Tito_Scwrl_4RYA.pdb: