Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------MNEQVIVQRDPHEPLKTDKREKNWAQHAELIAALVSGALILAGWLLSGYQVLSIILFLLAFVIGGFAKAKEGIEETLESKTLNVELLMIFAAIGSALIGYWAEGAILIFIFSLSGALETYTMNKSSRDLTSLMQLEPEEATLMVNGE--TKRVPVSDLQAGDMIVIKPGERVAADG---IIESGSTSLDESALTGESMPVEKNTGDT-------------VFTGTVNRNGSLTVRVTKANEDSLFRKIIKLVESAQNSVSPAQAFIERFENAYVKGVLIAVALLLFVPHF-----ALGWSW----SETFYRAMVFMVVASPCALVASIMPAALSLISNGARNGMLVKGSVFLEQLGSVQMIAFDKTGTVTKGQPAVETIRIAEGFSEAEVLEAVYAIE-------------------------------------------------TQSSHPLAQAITAYAESRGVNQSGYISI-EETSGFGVMAEVSGAKWKVGKAGFIGE-EMAAQFMKQTASDVIQSGHTIVFVKKDDQIA------------------------------------------------------------------------GCIALKDQIRPEAKEVMEELNRLGIKTAMLTGDHEDTAQAIAKEAGM-------------------------------TTVVAECLPDQKVNEIKRLKEEFGTIAMVGDGINDAPALKAADVGIAMGGGTDVALETADMVLMKNDLKKLVNMCRLSRKMNRIIKQNIVFSLAVICLLICANFLQAMELPFGVIGHEGSTILVILNGLRLLK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1SU4 Chain:A ((1-994)) MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELV------------------IEQFEDLLVRILLLAACISFVLAWFEEGEETI---------------------TAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAAL-----------GLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG

General information: TITO was launched using: RESULT: Template: 1SU4.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 : 2561 -229465 -89.60 -390.91 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -89.60 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.299

(partial model without unconserved sides chains): PDB file : Tito_1SU4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SU4-query.scw PDB file : Tito_Scwrl_1SU4.pdb: