Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEWYKKIGLLATTGLALFGLGACSNYGKSADGTVTIEYFNQKK--EMTKTLEEITRDFEKENPKIKVKVVNVPN--AGEVLKTRVLAGDVPDVVNIYPQSIELQEWAKAGVFEDLSNKD---YLKRVKNGYAEKYAVNEKVYNVPFTANAYGIYYNKDKFEELGLKVPETWDEFEQLVKDIVAKGQTPFGIAGADAWTLNGYNQLAFATATGGGKEANQYLRYSQPNAIKLSDPIMKDDIKVMDILRINGSKQKNWEGAGYTDVIGAFARGDVLMTPNGSWAITAINEQK---PNFKIGTFMIPGKEKGQ--SL-TVGAGDLAWSISATTKHPKEANAFVEYMTRPEVMQKYYDVDGSPTAIEGVKQ-AG-EDSPLAGMT-EYAFTD-RHLVWLQQYWTS-E-ADFHTLTMNYVLTG-DKEGMVNDLNAFFNPMKADVD 4G68 Chain:C ((39-430)) ---------------------------------ITLTFWNLFTGEPAKTKVKEIIDQWNKENPNVQIVESVTENDAYKTKIKAAIAANEAPDIFQTWAGG-FSQPFVEAGKVLQLDSYLNDGTKDQLLPGSFDNVTYNGKIYGIPFDQQASVLYINKELFDKYNVKVPTTFSELIDAIKTFKSKGVTPFALGEKDEWPGMWYYDMIALR-EGGVQLTR----DALNGKASFDNQAFTDAAQKLQDMVNAGAFDSGFMGLTRDEATAEFNQGKAAMYFGGNFDAAAFVSDPSSLVKGKIEAVRFPTIEGGKGDPTEYIGGTVGALMVSANSKYKDEAVRAAKYLAKQLSDMDYLIATG-LPAWKYDNIDQSKVDPLEIQIMNNIVANAKGSVPAWDIYLSGDAAQTHKDLVAQLFAKQITPEEYSKQMQQKIN-------

General information: TITO was launched using: RESULT: Template: 4G68.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2135 92381 43.27 248.34 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : 43.27 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_4G68.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G68-query.scw PDB file : Tito_Scwrl_4G68.pdb: