Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MTTPS-DRPLMAKLSAIAAYFALGEIRSYKRAPGT-NHNYLVATEEGEYLFKIIVNTTLED-VLNGLPFLQRLQEQNFAATAYYLRSSSGQVFYHSPDCDAVVLQRLPGRNPSLSPAVCHEIGVVLARLHLVPCDN---LPEKRHWLDARYLPETIEKAVNMYGTERLRETLAVIDS---------------LKHFQPATFPQCIIHGDLDTSNCLFEGERLVAFVDWQEVGVSAAMMDFVQTVIGFCFVEQDAGSDYWALFNSELYHALYAGYTSIRPLTP-YEQAHLDAALKYVGLTQPAWSMLMWEHYHPGEQMIETNLLFWKYGLDKLTLPVL 3JR1 Chain:A ((14-309)) NLYFQGMWKSISQVLAEQFGA-YYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINE-RSYRSMFRAEADQLALLAKTNSINVPLVYGIGN------SQGHSFLLLEALNKSKNK--QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDKIFVCNPACYWGDRECDIAFSSLFEPF-------------------PTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILHK-------------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1352 -18175 -13.44 -66.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -13.44 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: