Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHQAVIQTDIAKGTINKNIYGHFAEHLGRGIYEGIWVGTDSDIPNINGIRKDVLEALKQLHIPVLRWPGGCFADEYHWANGVGD---RKTMLNTHWGGTIESNEFGTHEFMMLCELLECEPYICGNVGSGTVQEMSEWIEYMTFEEGTPMSDWRKQNGREEPWKLKYFGVGNENWGCGGNMHPEYYADLYRRFQTYVRNY-SGNDIYKIAGGANVDDFNWTDVLMKKAAGLMDGLSLHYYTIPGDFWKGKGSATEFTEDEWFITMKKAKYIDELIQKHGTIMDRYDPEQRVGLIIDEWGTWFDPEPGTNPGFLYQQNTIRDALVAASHFHIFHQHCRRVQMANIAQTVNVLQAMILTEGERMLLTPTYHVFNMFKVHQDASLLATETMSADYEWNGETLPQISISASKQAEGDINITICNIDHQNKAEAEIELRGLHKAADHSGVILTAEKMNAHNTFDDPHHVKPESFRQYTLSKNKLKVKLPPMSVVLLTLRADS 2VRQ Chain:A ((4-495)) --ASRVVVNADRVKGTINRNIYGHFSEHLGRCIYEGLWVGEDSPIPNTNGIRNDVLEALKQMKIPVLRWPGGCFADEYHWKDGVGPREKRKRMVNTHWGGVIENNHFGTHEFMMLCELLGCEPYISGNVGSGTVQEMSEWVEYITFDGESPMANWRRENGREKPWRIKYWGVGNQNWGCGGNMRAEYYADLYRQFQTYLRNYGD-NKLHKIACGANTADYHWTEVLMKQAAPFMHGLSLHYYTVPGPWEK-KGPATGFTTDEWWVTLKKALFMDRLVTKHSAIMDVYDPDKRIDLIVDEWGTWYDVEPGTNPGFLYQQNSIRDALVAGATLHIFHRHCDRVRMANIAQLVNVLQSVILTEGERMLLTPTYHVFNMFKVHQDAELLDTWESVERTG-PEGELPKVSVSASRAADGKIHISLCNLDFETGASVDIELRGLNGGVSATGTTLTSGRIDGHNTFDEPERVKPAPFRDFKLEGGHLNASLPPMSVTVLELTA--

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 A - contact count / total energy / energy per contact / energy per residue : 3053 13171 4.31 26.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : 4.31 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.531

(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: