Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGAAFVKKEGLKQKALEIGRVPTHLKLEIEDYGGDDKRAHFCWADPQDENTGIIVELGPDGELESLSRDIEPESGERLSEEKLEDIMRQFVETHHPGALSAFVREENDRAYGDKVRFSYVQMEAGLPLPMSGFMADVSLSGEIVYFRYYGEAGSIIKPKRVADVEEALAFIKKDVEFDLLFEVLHRSVYKNGDDQPHLVYEPEGRAITVPADLVQEEQAVDDDDDYREPESFPLPLFEGIREKADPDSMIGIENG--FVKEREADLGDGRIGIVWRNPDDPVYQPADKSMDSWFKGRT-HQVLKTIYNKETGKLEGVMSFMEKKGPLTVTLAECEKIALRFLFALFPNADQYFRIRYDEKDEEENAVAGFTFEAH-CHGVPLRFGQIRICVSRQTGYITVYMGPDID--PNKLATIDPVPAISVEQAKSIFWQHFKVE---LGWEREYGDDEEHSYRLVYKPVY-------PHFIDAHTGEPVFSIW 5BOI Chain:A ((10-227)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VSEDVAKQVARSFLNLKGNEQI-HIVKSG-K---------DAD-----YEV--YSLTITDPKTNQETYMDITQKGGYPLWVLEDRDI-KKQNISLNDAMNKATKFLKDHRFE---SLVMAESA---QYDNMGVFTFVEQTESGVRIYPDSVKMKMSLEDGSVIGFSAKDFLLKHRTRD--IPKPKISKEQAKTKLNSNVKVMEERLAIITND----LNEEVLCYEFLGTIKNDTYRIFINADTGFEEKV--

General information: TITO was launched using: RESULT: Template: 5BOI.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 : 920 -81803 -88.92 -404.97 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -88.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_5BOI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BOI-query.scw PDB file : Tito_Scwrl_5BOI.pdb: