Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQNFTYWNPTKLIFGRGEVERLPEELKPYGKNVLLVYGGGSIKRSGLYDQVIEQLNKAGATVHELAGVEPNPRVSTVNKGVAICKEQNIDFLLAVGGGSVIDCTKAIAAGAKYD--GDAWDIVTKKHQPKDALPFGTVLTLAATGSEMNSGSVITNWETKEKYGWGSPLVFPKFSILDPVNTFTVPKNHTIYGMVDMMSHVFEQYFHHVSNTPYQDRMCESLLRTVIETAPKLIND--LENYELRETILYTGTIALNGMLSMGARGDWATHNIEHAVSAVYDIPHAGGLAILFPNWMRHTLSENPARMKQLAVRVFDVEEAGKTDEEIALEGIDKLSAFWTSLGAPNRLADYDINDEQLDTIADKAMAN-GTFGQFKSLNKEDVLSILKASL 2BL4 Chain:A ((11-387)) MANRMILNETAW-FGRGAVGALTDEVKRRGYQKALIVTDKTLVQCGVVAKVTDKMDAAGLAWAIYDGVVPNPTITVVKEGLGVFQNSGADYLIAIGGGSPQDTCKAIGIISNNPEFADVRSLEGLSPTNKPSVPILAIPTTAGTAAEVTINYVITDEEKRRKFVCVDPHDIPQVAFIDADMMDGMPPALKAATGVDALTHAIEGYI-----TRGAWALTDALHIKAIEIIAGALRGSVAGDKDAGEEMALGQYVAGMGFSNVGL---GLVHGMAHPLGAFYNTPHGVANAILLPHVMRYNADFTGEKYRDIA-RVMGVKVEGMSLEEARNAAVEAVFALNRDVGIPPHLRDVGVRKEDIPALAQAALDDVCTGGNPREATLEDIVEL-----

General information: TITO was launched using: RESULT: Template: 2BL4.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 : 2344 -84103 -35.88 -226.08 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -35.88 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_2BL4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BL4-query.scw PDB file : Tito_Scwrl_2BL4.pdb: