Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLERAVTYKNNGQINIILNGQKQVLTNAEAEAEYQAALQKNEAKHGILKEIEKEMSALVGMEEMKRNIKEIYAWIFVNQKRAEQGLKVGKQALHMMFKGNPGTGKTTVARLIGKLFFEMNVLSKGHLIEAERADLVGEYIGHTAQKTRDLI---KKSLGGILFIDEAYSLARGGEKDFGKEAIDTLVKHMED-KQHEFILILAGYSRE--MDHFLSLNPGLQSRFP--ISIDFPD-YSVTQLMEIAKRMIDEREYQLSQEAEWKLKDYLMTVKSTTSPIKFSNGRFVRNVIEKSIRAQAMRLLMGDQYLKSDLMTIKSQDLSIKEEASGSA 2CEA Chain:A ((20-238)) -----------------------------------------------------------GAEEAIEELKEVVEFLKDPSKFNRIGARMPKG---ILLVGPPGTGKTLLARAVAG---EANV----PFFHISGSDFVELFVGVGAARVRDLFAQAKAHAPCIVFIDEIDAVGR---HDEREQTLNQLLVEMDGFDSKEGIIVMAATNRPDILDPAL-LRPG---RFDKKIVVDPPDMLGRKKILEIHTR-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CEA.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 : 746 -103219 -138.36 -633.25 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -138.36 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_2CEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CEA-query.scw PDB file : Tito_Scwrl_2CEA.pdb: