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 2R6G Chain:A ((17-233)) -------------------VVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDQPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDA--GRVAQVGKPLELYHYPADRFVAGF-------------------------

General information: TITO was launched using: RESULT: Template: 2R6G.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 : 1002 -131402 -131.14 -628.72 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -131.14 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_2R6G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R6G-query.scw PDB file : Tito_Scwrl_2R6G.pdb: