Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEYKQTIEEVKKVTEADPDTGLSSQEVDERRKKQGLNKFDEAPKESMIKKFFRSLSDFTTIILLVAAVISFYTAFATEHGD----LFEGLLIIAIVVINSVLAIVQEGNAEKALESLQDMNKQTATVIRDGK--VTTVESEQLVVGDILVLESGDAISADARL--IEASQLRVEESALTGESEAVEKDAAFIAEEDESLGDQLNMVFKGCTVAAGRGKAIVTAIGMATEMGKIADLLNENTMQKTPLQVRLNQLGKRIS-MIALAAAALVFV-IGELQGEPL---------LEMFMTSISLAVAAVPETLTVIVTLTLAYGVQKMARKHAIIRQLPAVETLGTANVICSDKTGTLTQNEMRVRRV----------------------WSKEDEVTN----IEDSMTNSAMEILKMAALCTDVTVEQEDDDLVIK--GNPTEVAIVRAVEEN--YHTKAELEEKYPRVN--------------ELPFDSERKMMTTVHQ--------MGEKYISITKGAFDVLAPRFS-----------SGDVEQ---AAIVNDRFGKRALRVIAVGYATYDEEPQ------DISSEAL--EKDLRLIGLIGMIDPPRPESKGAIKRAKKAGIKTVMITGDHVVTASAIAKELGILNDPSE----ALSGSELHQLSDEELDARVKALSVYARVTPEDKIRIVKSWQRTGAVVAMTGDGVNDAPALKASNVGCAMGITGTDVAQSAADMILTDDNFATIVDAVSQGRSVYQNIRKAINFLLSCNISEIFIVLIAMLLGWGAPFTAVQLLFVNVVADGLPGFALGREPAEHGIMDQPP-IPKNEGIFARGLLQKIAINAGVFTIVTLFGYYLGSYVDTISPWVDASQ--HVGQ----------------------TVAFLILAYSSILHVFNVRS-SQSIFKVNLATNKALVEMALLALAITTAVALLPFTQELFGLVHISLNHWFLVGILSIVPIAVNELIKFHRLPEAEEEE 3AR4 Chain:A ((6-987)) ---HSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFN-DPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKM--FVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLAL--ATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMG-SGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAED-GPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKF----------

General information: TITO was launched using: RESULT: Template: 3AR4.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 : 4583 60985 13.31 70.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 13.31 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_3AR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AR4-query.scw PDB file : Tito_Scwrl_3AR4.pdb: