Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEYKQTIEEVKKVTEADPDTGLSSQEVDERRKKQGLNKFDEAPKESMIKKFFRSLSDFTTIILLVAAVISFYTAFATEHGD----LFEGLLIIAIVVINSVLAIVQEGNAEKALESLQDMNKQTATVIRDGKVTTVESEQLVVGDILVLESGDAISADARLIEASQLRVEESALTGESEAVEKDAAFIAEEDESLGDQLNMVFKGCTVAAGRGKAIVTAIGMATEMGKIADLLNENTMQKTPLQVRLNQLGKRIS-MIALAAAALVFV-IGELQGEPL---------LEMFMTSISLAVAAVPETLTVIVTLTLAYGVQKMARKHAIIRQLPAVETLGTANVICSDKTGTLTQNEMRVRRV----------------------WSKEDEVTN----IEDSMTNSAMEILKMAALCTDVTVEQEDDDLVIK--GNPTEVAIVRAVEEN--YHTKAELEEKYPRVN--------------ELPFDSERKMMTTVHQ--------MGEKYISITKGAFDVLAPRFS-----------SGDVEQ---AAIVNDRFGKRALRVIAVGYATYDEEPQ------DISSEAL--EKDLRLIGLIGMIDPPRPESKGAIKRAKKAGIKTVMITGDHVVTASAIAKELGILNDPSE----ALSGSELHQLSDEELDARVKALSVYARVTPEDKIRIVKSWQRTGAVVAMTGDGVNDAPALKASNVGCAMGITGTDVAQSAADMILTDDNFATIVDAVSQGRSVYQNIRKAINFLLSCNISEIFIVLIAMLLGWGAPFTAVQLLFVNVVADGLPGFALGREPAEHGIMDQPP-IPKNEGIFARGLLQKIAINAGVFTIVTLFGYYLGSYVDTISPWVDASQ--HVGQ----------------------TVAFLILAYSSILHVFNVRS-SQSIFKVNLATNKALVEMALLALAITTAVALLPFTQELFGLVHISLNHWFLVGILSIVPIAVNELIKFHRLPEAEEEE 4NAB Chain:A ((47-986)) ---------------------------------------------KSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEY------------------------------------------------------------------------------------------------------------------ATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFN-DPVHGGSWIRGAIYYFKIAVALAVAAIPQGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKM--FVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLAL--ATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMG-SGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAED-GPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKF----------

General information: TITO was launched using: RESULT: Template: 4NAB.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 : 3525 -56086 -15.91 -79.78 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -15.91 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_4NAB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NAB-query.scw PDB file : Tito_Scwrl_4NAB.pdb: