Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEFQNVSKIYKGGKVAVEDVNLSFEKGEFICFIGTSGSGKTTTMRMINRMTDPTQGKILIDGKSIQEIDPVELRRQIGYVIQSIGLMPHMTIRENITLVQKLLKVSQEERNKTAEKMIDLVELPREMLDRYPHELSGGQQQRIGVVRALAANQDIILMDEPFGALDPITRDSLQDLVKDLQERLGKTIVFVTHDMDEAIKLASRIAIMSEGRVIQFDTPENILRHPANDFVEELIGEDRL--LQAKPNATRVGEVMLNTAITITPEKSLQEAIKLMREKRVDTLLVTDNSNVLKGFIDVETLNKKRGKVSSVGDILNKHVFYVKESAYLRDTLQRILKRGLKYVPVVDEQNKVVGILTRASLVDIVYDVIWGEDPATTDVAESATPEESKEV 2R6G Chain:A ((4-254)) -VQLQNVTKAW-GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLA-HLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDQPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQV-----------------------------------------------------------------------------------------------------------------------------------------

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 : 1206 -156660 -129.90 -629.16 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -129.90 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.579

(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: