Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEVRNVSKQY--GGKVV--LEETSVTIQKGKITSFIGPNGAGKSTLLSIMSRLIKKDSGEIYIDGQEIGACDSKELAKKMS-----ILKQANQINIRLTIKDLVSFGRFPYSQGRLTEEDWVHINQALSYMKLEDIQDKYLD----QLSGGQCQRAFIAMVIAQDTDYIFLDEPLNNLDMKHSVEIMKLLKRLVEELGKTIVIVIHDINFASVYSDYIVALKNGRIVKEGPPEEMIETSVLEEIYDMTIPIQTIDNQRIGVYFS 3TIF Chain:B ((1-226)) MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKY-RGAMSGEE--RRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVAR-FGERIIYLKDGEVERE-----------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1051 -127357 -121.18 -597.92 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -121.18 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.596

(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: