Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDAILQVSDLSVYYNKKKALNSVSLSFQPKEITALIGPSGSGKSTLLKSLNRMGDLNPEVTTTGSVVYNGHNIYSPRTDTVEL----RKEIGMVFQQPNPFPM-TIYENVVYGLRINGIKDKQVLDEAVEKALQGASIWDEVKDRLYDSAIG-LSGGQQQRVCVARVLATSPKIILLDEPTSALDPISAGKIEETLYGL--KDKYTMLLVTRSMQQASRISDKTGFFLDGDLIEFNDTKQMFLDPQHKETEDYITGKFG 3TIF Chain:A ((20-223)) -------------------ALKNVNLNIKEGEFVSIMGPSGSGKSTML---NIIGCLDK--PTEGEVYID--NIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPL-IFKYRGAMSGEERRKRALECLKMA-ELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDGEV---------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 951 -11014 -11.58 -56.19 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -11.58 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: