Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAEPVQRRIQFVFDQYQVFPNDNLTLCYFGMANEVYIVPTE-KGRYVLKKCFKS-NTKALISNEVALIEQLNSYGCKTPEIVPDKEGNAYVDFDGEIYLLTKYCQDMTYNWSSEIPDKA-HCETIRAMAHFHCATDTFVPPFSDTRTTFLGLAGHSEKLAELRHHDSDTERGSFQQMSLFLPQLESQLNRLKAEVTQADLSQAKQCFIHGDLHCYNLFFDQDGRYTHVIDFDFSRLDYRLADIFWTSRIIAFKLLRRRYSREQLEAWDHVLPEPQMLEILTHVWQMIIDQYRQVAALDDRELALVPLFAHAVPLYICHFFEYSNSEQECIEHLKWFEWELSQVERSARLNRLAIEKVLKDVA 1ZYL Chain:A ((14-288)) -------DTIMDALFEHGIRVDSGLTPL-NSYENRVYQFQDEDRRRFVVKFYRPERWTADQILEEHQFALQLVNDEVPVAAPVAF-NGQTLLNHQGFYFAVFPSVGGRQFE----ADNIDQMEAVGRYLGRMHQTGRKQLFIHRP-TIGLNE-------YLIEPR---KLFEDATLIPSGLKAAFLKATDELIAAVTAHWREDFTVLRLHGDCHAGNILWRD--GPM-FVDLDDARNGPAVQDLWMLLNGDKAE--------------------------QRMQLETIIEAYEEFSEFDTAEIGLIEPLRAMRLVYYLAWLMRRWADP-----------------------------------

General information: TITO was launched using: RESULT: Template: 1ZYL.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 : 1226 -63028 -51.41 -231.72 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -51.41 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.254

(partial model without unconserved sides chains): PDB file : Tito_1ZYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1zyl-query.scw PDB file : Tito_Scwrl_1ZYL.pdb: