Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFWKNKNVFVTGCTGLLGSYLVKELIEQG-ANVTGLVRDHVPQSNLYQGEHIKKMNIVRGSLEDLAV-IERALGEYEIDTVFHLAAQAIVGVANRNPISTFEANILGTWNILEACRKHPLIKRVIVASSDKAYGDQENLPYDENMP-------LQGKHPYDVSKSCADLISHTYFHTYGLPVCITRCGNLYGGGDLNF-------NRIIPQTIQLVLNGEAPEIRSDGTFVRDYFYIEDAVQAYLLLAEKMEENNLAGEAFNFSNEI-QLTVLELVEK-ILKKMNSNLKPKVLN--------QGSNEIKHQYLSAEKARKLLNWTPAYTIDEGLEKTIEWYTEFFKK 2BLL Chain:A ((316-654)) ------MRVLILGVNGFIGNHLTERLLREDHYEVYGLDIGSDAIS-RFLN--HPHFHFVEGDISIHSEWIEYHVK--KCDVVLPLVAIATPIEYTRNPLRVFELDFEENLRIIRYCVKY--RKRIIFPSTSEVYGMCSDKYFDEDHSNLIVGPVNKPRWIYSVSKQLLDRVIWAYGEKEGLQFTLFRPFNWMGPRLDNLNAARIGSSRAITQLILNLVEGSPIKLIDGGKQKRCFTDIRDGIEALYRIIENAGN-RCDGEIINIGNPENEASIEELGEMLLA-SFEKHPLRHHFPPFAGFRVV-----VEHRKPSIRNAHRCLDWEPKIDMQETIDETLDFFLRTVD-

General information: TITO was launched using: RESULT: Template: 2BLL.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 : 1593 -171590 -107.72 -570.07 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -107.72 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2BLL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BLL-query.scw PDB file : Tito_Scwrl_2BLL.pdb: