Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLERAVTYKNNGQINIILNGQKQVLTNAEAEAEYQAALQKNEAKHGILKEIEKEMSALVGMEEMKRNIKEIYAWIFVNQKRAEQGLKVGKQALHMMFKGNPGTGKTTVARLIGKLFFEMNVLSKGHLIEAERADLVGEYIGHTAQKTRDLIKKSL---GGILFIDEAYSLARGGEKDFGKEAIDTLVKHMED-KQHEFILILAGYSREMDHFLSLNPGLQS--RFPISIDFPDYSVTQLMEIAKRMIDERE----------------------YQLSQEAEWKLKDYLMTVKSTTSPIKFSNGRFVRNVIEKSIRA--QAMRLLMGDQYLKSD---LMTIKSQDLSIKEEASGSA---------------------------------------------------------------------------------------------------------------- 2CE7 Chain:A ((5-457)) --------------------------------------------YKPSGNKRVTFKDVGGAEEAIEELKEVVEFLKDPSKFNRIGARMPK---GILLVGPPGTGKTLLARAVAGEA-------NVPFFHISGSDFVELFVGVGAARVRDLFAQAKAHAPCIVFIDE---IDAVGRHDEREQTLNQLLVEMDGFDSKEGIIVMAATNRPDI----LDPALLRPGRFDKKIVVDPPDMLGRKKILEIHTRNKPLAEDVNLEIIAKRTPGFVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVILISPAEKRIIAYHEAGHAVVSTVVPNGEPVHRISIIKYLVSRNELLDKLTALLGGRAAEEVVFGDVTSGAANDIERATEIARNMVCQLGMSEELGPLAWGKLRNYSEEVASKIDEEVKKIVTNCYERAKEIIRKYRKQLDNIVEILLEKETIEGDELRRILS

General information: TITO was launched using: RESULT: Template: 2CE7.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 : 1119 -85872 -76.74 -329.01 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -76.74 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_2CE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CE7-query.scw PDB file : Tito_Scwrl_2CE7.pdb: