Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIAISGGGTGGHIYPALAFIKEVQRRHPNVEFLYIGTENGLEKKIVER-ENIPFRSIEITGFKRKLSFENVKTVMRFLKGVKKSKSYLAEFKPDAVIGTGGYVCGPVVYAAAKMGIPTIVHEQNSLPGITNKFLSKYVNKVAICFEEAKSHFPSEKVVFTGNPRASEVVSIKTGRSLAEFGLSEDKKTVLIFGGSRGAAPINRAVIDMQDVLKTRDY-----QVLYITGEVHYEKVMNELKSKGAADNMVTKPFLHQMPEYLKAIDVIVARAGATTIAEITALGIPSVLIPSPYVTANHQEVNARSLGQHDAAIVLKETELSGEKLIEALDRIVLNEQTLKEMSERTKSLGVPDAAARLYSVLEELKK---- 4X1T Chain:A ((6-389)) KKVLILMSDTGGGHRASAEAIRAAFNQEFGDEYQVFITQPDIIISVHPLMQHVPLRVLRSKGLLKKIVFTTVIT--------DLSTCHPTWFHKLV-----TRCYCPSTEVAKRAQKAGLETSQIKVYGLPVR--------------------PS----FVKPVR-------PKVELRRELGMDENLPAVLLMGGGEGMGPIEATARALADALYDKNLGEAVGQVLIICG--RNKKLQSKLSSLDWKIPVQVKGFITKMEECMGACDCIITKAGPGTIAEAMIRGLP--IILNGYI-AGQEAGNVPYVVENGCGKFSKSPKEISKIVADWFGP---ASKELEIMSQNALRLAKPEAVFKIVHDMHELVRKKNS

General information: TITO was launched using: RESULT: Template: 4X1T.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 : 1814 -168547 -92.91 -541.95 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -92.91 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_4X1T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X1T-query.scw PDB file : Tito_Scwrl_4X1T.pdb: