Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLERAVTYKNNGQINIILNGQKQVLTNAEAEAEYQAALQKNEAKHGILKEIEKEMSALVGMEEMKRNIKEIYAWIFVNQKRAEQGLKVGKQALHMMFKGNPGTGKTTVARLIGKLFFEMNVLSKGHLIEAERADLVGEYIGHTAQKTRDLIKKS---LGGILFIDEAYSLARGGEKDFGKEAIDTLVKHMED--KQHEFILILAGYSREMDHFLSLNPGLQS--RFPISIDFPDYSVTQLMEIAKRMIDEREYQLSQEAEWKLKDYLMTVKSTTSPIKFS-NGRFVRNVIEKSIRAQAMRLLMGDQYLKSDLMTIKSQDLSIKEEASGSA 4WW0 Chain:A ((12-278)) -------------------------------------------------KPKVTFKDVAGIEEVKEEVKEIIEYLKDPVKFQKLGG---RPPKGVLLYGEPGVGKTLLAKAIAGEA-------HVPFISVSGSDFVEMFVGVGAARVRDLFETAKKHAPCMIFIDEIDAVGR-----EREQTLNQLLVEMDGFDTSDGIIVIAATNRPD-----ILDPALLRPGRFDRQIFIPKPDVRGRYEILKVHARNKKLA-KDVDLEFVA----RA-------TPGLTGADLENLLNEAALLAARK------------------------------

General information: TITO was launched using: RESULT: Template: 4WW0.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 : 1014 -115830 -114.23 -548.96 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -114.23 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_4WW0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WW0-query.scw PDB file : Tito_Scwrl_4WW0.pdb: