Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAI------KHIGAIVENPELYKFLSGYKNLQQFARMVKGVTKEKID----EVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA 2D62 Chain:A ((7-221)) ----VKLINIWKRFGDVTAVKDLSLEIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTRGQIYIE-DNLVADPEKGVFVPPKERDVAMVFQSYALYPHMTVYDNIA-FPLKLRKVPKQEIDKRVREVAEMLGLTELLNRKPRELSGGQRQRVALGRAIIRRPKVFLMDEPLSNLDAKLRVKMRAELKKLQRQLGVTTIYVTHDQVEAMTMGDRIAVMNKGEL----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2D62.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 : 1019 -121784 -119.51 -594.07 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -119.51 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_2D62.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2D62-query.scw PDB file : Tito_Scwrl_2D62.pdb: