Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLMIHSVANGLNHFCTWVMRLAYLNVLWILFSLAGLVVFGLMPATAAMF-------------------TVAREWAKGNTDAPVFSVFFRTFKKEWRASQILGLIVVTAALF--LFADMRIAAQMDQPVLVNVFVSISLIFA-----------------------FVVL----YVFPVFSHFDVKIREVLSISF----FIAFSRP-AVTLLMAAGAVGVLCLVLFHVTFLLFFSGSLLSLILTKLSFKAFRSMDQRQE--------KEKAA------------------------------------- 4ES8 Chain:A ((19-320)) ---EELPDDLMNFKGTWEVSADGSSGRFFSKGATDSYVFHLIPAKDVKKPGWREHNEVKDSYIKIDKQSIAARY-KTSTTAP-YSVAFKVNTKSLIKDHDYKITFEQGQIASGITVDYRIGSAFNKTTDDSFKISDESKYASNVKIEGEEQGFKQREQGDKTISFRTLKEGPMSLVLLSKVEKKPQGDLDVEFKNLKIIDVTNPSQLDKGVAYVGNKNVQLTLKSDDGRTNFEGDEISLFNSRGELLQTVTVTKDQQNPISITLSEDQAKSLKNKEKLKVSIKQKQSKKTSKDFFFEVGIDPKVEAK

General information: TITO was launched using: RESULT: Template: 4ES8.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 : 870 -111038 -127.63 -544.30 target 2D structure prediction score : 0.13 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -127.63 2D Compatibility (Sec. Struct. Predict.) : 0.13 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.071

(partial model without unconserved sides chains): PDB file : Tito_4ES8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ES8-query.scw PDB file : Tito_Scwrl_4ES8.pdb: