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 4YCN Chain:A ((5-986)) ---HSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFN-DPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKM--FVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLAL--ATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMG-SGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAED-GPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKF----------

General information: TITO was launched using: RESULT: Template: 4YCN.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 : 4593 66153 14.40 77.01 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 14.40 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_4YCN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YCN-query.scw PDB file : Tito_Scwrl_4YCN.pdb: