Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHQAVIQTDIAKGTINKNIYGHFAEHLGRGIYEGIWVGTDSDIPNINGIRKDVLEALKQLHIPVLRWPGGCFADEYHWANGVG---DRKTMLNTHWGGTIESNEFGTHEFMMLCELLECEPYICGNVGSGTVQEMSEWIEYMTFEEGTPMSDWRKQNGREEPWKLKYFGVGNENWGCGGNMHPEYYADLYRRFQTYVRNYSGNDIYKIAGGANVDDFNWTDVLMKKAAGLMDGLSLHYYTIPGDFWKGKGSATEFTEDEWFITMKKAKYIDELIQKHGTIMDRYDPEQRVGLIIDEWGTWFDPEPGTNPGFLYQQNTIRDALVAASHFHIFHQHCRRVQMANIAQTVNVLQAMILTEGERMLLTPTYHVFNMFKVHQDASLLATETMSADYEWNGETLPQISISASKQAEGDINITICNIDHQNKAEAEIELRGLHKAADHSGVILTAEKMNAHNTFDDPHHVKPESFRQYTLSKNKLKVKLPPMSVVLLTLRADS 2VRQ Chain:B ((6-495)) ----RVVVNADRVKGTINRNIYGHFSEHLGRCIYEGLWVGEDSPIPNTNGIRNDVLEALKQMKIPVLRWPGGCFADEYHWKDGVGPREKRKRMVNTHWGGVIENNHFGTHEFMMLCELLGCEPYISGNVGSGTVQEMSEWVEYITFDGESPMANWRRENGREKPWRIKYWGVGNQNWGCGGNMRAEYYADLYRQFQTYLRNYGDNKLHKIACGANTADYHWTEVLMKQAAPFMHGLSLHYYTVPGP-WEKKGPATGFTTDEWWVTLKKALFMDRLVTKHSAIMDVYDPDKRIDLIVDEWGTWYDVEPGTNPGFLYQQNSIRDALVAGATLHIFHRHCDRVRMANIAQLVNVLQSVILTEGERMLLTPTYHVFNMFKVHQDAELLDTWESVERTGPEGE-LPKVSVSASRAADGKIHISLCNLDFETGASVDIELRGLNGGVSATGTTLTSGRIDGHNTFDEPERVKPAPFRDFKLEGGHLNASLPPMSVTVLELTA--

General information: TITO was launched using: RESULT: Template: 2VRQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3045 -69989 -22.98 -143.71 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.92 3D Compatibility (PKB) : -22.98 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_2VRQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VRQ-query.scw PDB file : Tito_Scwrl_2VRQ.pdb: