Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKPLLKENSLIQVKHILKAHQNVKDVVIHTPLQRNDRLSERYECNIYLKREDLQVVRSFKLRGAYHKMKQLSSEQTENGVVCASAGNHAQGVAFSCKHLGIHGKIFMPSTTPRQKVSQVELFGKGFIDIILTGDTFDDVYKSAAECCEAESRTFIHPFDDPDVMAGQGTLAVEILNDIDTEPHFLFASVGGGGLLSGVGTYLKNVSPDTKVIAVEPAGAASYFESNKAGHVVTLDKIDKFVDGAAVKKIGEETFRTLETVVDDILLVPEGKVCTSILELYNECAVVAEPAGALSVAAL--DLYKDQI---KGKNVVCVVSGGNNDIGRMQEMKERSLIFEGLQHYFIVNFPQRAGALREFLDEVLGPNDDITRFEYTKKNNKSNGPALVGIELQNKADYGPLIERMNKKPFHYVEVNKDEDLFHLLI 5CVC Chain:A ((20-339)) ------------IDSIREAQARIAPYVHRTPVMSSTSIDAMVGKKLFFKCECFQKAGAFKIRGASNSIFALDDEQVSKGVVTHSSGNHAAAVALAAKLRGIPAHIVIPRNAPASKVENVKCYGG---HIIWSDASIESREYVSKRVQEETGAVLIHPINSKYTISGQGTVSLELLEQV-PEIDTIIVPISGGGLISGVALAAKAINPSIRILAAEPKGADDSAQSKAAGKIITLPSTNTIADGLRA-FLGDLTWPVVRDLVDDVIVVDDTAIVDAMKMCYEILKVAVEPSGAIGLAAALSDEFKQSSAWHESSKIGIIVSGGNVDLGTLWQSMYKHL------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5CVC.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 : 2031 -119140 -58.66 -378.22 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -58.66 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_5CVC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CVC-query.scw PDB file : Tito_Scwrl_5CVC.pdb: