Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKKFLFQIHWFLGISAGLILSIMGVTGAIYSYDQQILKWVNTDSYVVQAQSSPKLTPAQLYQHFTTIQPEIKINSITIAKDATASSVVNIEKEGERRGYNMMVNPYTAQVLPEVQGRKLLLLIQQIHRNLTAGEFGKQITGACALMLIYFVLSGLYLRWPKKHSARQWLAVKPKLKGRNFIWDLHAVVGTWVIVFYLLFACTGLYWSYDWWRSGMFKVLGVEQPKMQGHGGSGRNKDQLPKIQLDNAQLITALNQTWSGFNNQIGRDYSTLTVNLPKKDDGKIELSFVDATPQHERARNQAVYNYKTANIEKMELYEDKKLNQKIMSSMLPVHRGSFFGPVYQFVAMLASLAMPLFFVTGWMLYLKRRKQKKLTQAARQSLAGHYIDQNAKPWLITYATQTGVAEQLAWRTATSLQEAHQPVQVKSVQQLTEADLQQHEQILFVISTYGTGEAPDLASNFAKKLLKTNLRLQHVKYAVLALGSKEYPDTYCSFGHTVDDWLKNNGAKALFDIIEVDNANPADIQNWNQALVKATKLDLHAVNIEKVFDNWTLQQRDLLNPNSLGQPAYNIELTANHEAIWQAGDIAEIQPGNSPERINKFLQHHHILKNAVVDSLQVSI-----------------E---------KA--------LW-------------------NKDLTG-EIEPFANLDHLLEQLPTLPTREYSIASIPSQ--QVLRLVVRQQYDESDDLDLDLGLGLGLGLGLGLGSGWLTQHTEINQNVA--LRIRTNESFHLIDD-NRPIICIGNGTGIAGLMSLLHTRTRH-----NYTENWLIFGERQRAHDFFYASTIEAWQTMGMLKRLDLAFSRDQE-QRVYVQDIIQQNAAELINWIERGAVLYVCGSI-DGMASGVDQALIHILGEE----------QVDELRQQGRYRRDVY 4DQL Chain:A ((5-391)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GAFSTNVVASKELQQPGSARSTRHLEIELPKEASYQEGDHLGVIPRNYEGIVNRVTARFGLDASQQIRLEA---KTVSVEELLQYVELQDPVTRTQLRAMAAKTVCPPHKVELEALLEKQAYKEQVLAKRLTMLELLEKYPACEMKFSEFIALLPSIRPRYYSISSSPRVDEKQASITVSVVSGEAW---------SGYGEYKGIASNYLAE-LQEGDTITCFIST-PQSEFTLPKDPETPLIMVGPGTGVAPFRGFVQARKQLKEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQSEG-IITLHTAFSRMPNQPKTYVQHVMEQDGKKLIELLDQGAHFYICGDGSQMAPA-VEATLMKSYADVHQVSEADARLWLQQLEEKGRYAKDVW

General information: TITO was launched using: RESULT: Template: 4DQL.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 : 1430 9058 6.33 30.19 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 6.33 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_4DQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DQL-query.scw PDB file : Tito_Scwrl_4DQL.pdb: