Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVTISIKEKAFVQEGRKNTVLENIELSIAPGEFLTLIGPSGCGKSTLLKIIAGLDSEYDGSVEINGRSV--TAPGIQQ-GFIFQEHRLFPWLTVEQNIAADLNLKDPK---VKQKVDELIEIVRLKGSEKAYPRELSGGMSQRVAIARALLREPEVLLLDEPFGALDAFTRKHLQDVLLDIWRKKKTTMILVTHDIDESVYLGNELAILKAKPGKIHKL-MPIHL-AYPRNRTTPDFQAIRQRVLSEFEKTEDLEYAEGSGI 3PUX Chain:B ((17-243)) -------------------VVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDA--GRVAQVGKPLELYHYPADRFVAGF-------------------------

General information: TITO was launched using: RESULT: Template: 3PUX.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 : 991 -129807 -130.99 -621.08 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -130.99 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_3PUX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUX-query.scw PDB file : Tito_Scwrl_3PUX.pdb: