Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEFQNVSKIYKGGKVAVEDVNLSFEKGEFICFIGTSGSGKTTTMRMINRMTDPTQGKILIDGKSIQEIDPVELRRQIGYVIQSIGLMPHMTIRENITLVQKLLKVSQEERNKTAEKMIDLVELPREMLDRYPHELSGGQQQRIGVVRALAANQDIILMDEPFGALDPITRDSLQDLVKDLQERLGKTIVFVTHDMDEAIKLASRIAIMSEGRVIQFDTPENILRHPANDFVEELIGEDRL--LQAKPNATRVGEVMLNTAITITPEKSLQEAIKLMREKRVDTLLVTDNSNVLKGFIDVETLNKKRGKVSSVGDILNKHVFYVKESAYLRDTLQRILKRGLKYVPVVDEQNKVVGILTRASLVDIVYDVIWGEDPATTDVAESATPEESKEV 4KI0 Chain:A ((4-254)) -VQLQNVTKAW-GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLA-HLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAIDQV-----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KI0.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 : 1188 -157343 -132.44 -631.90 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -132.44 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_4KI0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KI0-query.scw PDB file : Tito_Scwrl_4KI0.pdb: