Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTPKKHKKFKAKMILQIIMVIIGGIIAAYGLETVLIPNSVSDGGVTGLSIVGSQLFNLP-LGILIAVINIPFVWLGYKQIGKSFA-LLSIIGIVSLAAGTSFFHHTPAIIEGDTLLITVV--GGIILGFG--------MGLALRNGGALDGIDMLAVLLSR-KLPFGTSDLILFLNLFVFIFVSTVFG----LQGAL--LSVIAYYIASKVIHVV-EEGLSGSKTFQIITTQPELMVETIRDQLG-RSATYKEAYGGFSHEKFKEITCVINRL-EETKLKEIINDIDKTAFVTVYDVAEVKGSNFRNLNHH------------------ 4QIK Chain:A ((4-313)) GVEDTKHYEEAKKCVEELALY--------------LKPLSSARG--VGLNSTTQSVLSRPMQRKLVTLVHCQLV----EEEGRIRAMR-AARSLGERTVTELILQHQNPQQLSSNLWAAVRARGCQFLGPAMQEEALKLVLLALEDGSALSRKVLVLFVVQRLEPRFPQASKTSIGHVVQLLYRASCFKSLMQLKEEFRTYEALRREHDSQIVQIAMEAGLRIA-----PDQWSSLLYGDQSHKSHMQSIIDKLQTPASFAQSVQELTIALQRTGDPANLNRLRPHLELLA--NIDPSPDAPPPTWEQLENGLVAVRTVVHGLVDYIQNH

General information: TITO was launched using: RESULT: Template: 4QIK.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 : 911 -125188 -137.42 -477.82 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -137.42 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.254

(partial model without unconserved sides chains): PDB file : Tito_4QIK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QIK-query.scw PDB file : Tito_Scwrl_4QIK.pdb: