Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEWYKKIGLLATTGLALFGLGACSNYGKSADGTVTIEYFNQKKEMTKTLEEITRDFEKENPKIKVKVVNV-PNAGEVLKTRVLAGDVPDVV-NIYPQSIELQEWAKAGVFEDLSNKDYLKRVKNGYAEKYAV-----NEKVYNVPFTANAYGIYYNKDKFEELGL-KVPETWDEFEQLVKDIVAKGQTPFGIAGADAWTLNGYNQLAFATATGGGKEANQYLRYSQPNAIKLSDPIMKDDIKVMDILRINGSKQKNWEGAGYTD-VIGAFARGDVLMTPN-GSWAITAINEQKPNFKIGTFMIPGKEKGQ---SLTVGAGDLAWSISATTKHPKEANAFVEY-MTRPEVMQKYYDVDGSP-TAIEGVKQAGEDSPLAGMTEYAFTDRHLVWLQQYWTSEADFHTLTMNYVLTG--DKEGMVNDLNAFFNPMKADVD 3I3V Chain:A ((39-429)) -----------------------------PDTLVVHTQLGTTAPGSPTYLAAVDRFREENPGVKIKNLVNGDDLAQVYETSRLARKEADVVMVNLYDK--TLAWTDVGATVDVKPYLDDWGLRGRVLPAALADWTDDEGRVRAFPYFATNWPVAYNRALLDRAGVDAIPTTGDQLIAAARKLRAKGIAPVTVGGNDWTGQKLLAQIIQTF---LSQDEARHVYST----GDFGVRGARLGIEYFAHLRDAGVFADKAQGLTSDSMT-TQFNTEEAAVQSAMSSALAKVPEKVAGHTEVGGWPLADGAAHDGPTVIRAYTLIGFWISPNGVRKIEQVEKFLRFMYR-PDVVARFVTESGRDMALRTDAVSTGFPLVGAAQRLGSEVSQVLLPDVYVPPAAAQPLITATSTSFTRGTSPARVRAALESAYRSV-----

General information: TITO was launched using: RESULT: Template: 3I3V.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 : 2116 43417 20.52 116.09 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 20.52 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_3I3V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I3V-query.scw PDB file : Tito_Scwrl_3I3V.pdb: