Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTQPMIEKLIEAHLDFLDEQFAQTQVIQQEFEQFYHWLGSRQLQHLWTFEQVQQLIQKQILDTPASDFLIEQIAEHIRFALIHPTNDTATVEDVIPVLTIDRIAQYVASKEEHRKKLIKTIVNNPAFSALLTQLIQQTMHDYLDESMTKRVPGVGRFMKMGKSVLETVTDSNLDDTINHYLQKNILKLSQMSKRVLNQHFDNDKLYHFQANVWHKVKTSPLSVLKNYIEVQDLTRTVGLGHEIWDHIRQTDYLKQQVHDGIYTWYVRNQERN--------FDLLLRDLNI-----DENLVKHELTELLVPVLQQLVTTGHLRRRARVYLEKFYYSEKALEILNNKGA 4XGC Chain:B ((62-352)) ---EGSINAIMEEYRSYFPKWMCILN---EGFNILLYGLGSK--------HQLLQSFHREVLHKQT-------------VLVVNGFFPSLTIKDMLDSITSDILDAGISPANPH--EAVDMI--EEEFALIPETHLFLIVHN-LDGAMLRNVKAQAILSRLARI-------------------PNIHLLASIDHINTPLLWDQGKLCSFNFSWWD------CTTMLPYTNETAFENS--LLVLALSSMRSVFSSLTTNSRGIYMLIVKYQLKNKGNATGMPFRDLYSSCREAFLVSSDLALRAQLTEFLD---HKLVKSKRSSEQLTIPI-----DGALLQQFLEEQE

General information: TITO was launched using: RESULT: Template: 4XGC.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 : 1107 -87239 -78.81 -325.52 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -78.81 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.252

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: