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 3KDS Chain:E ((20-212)) -----------------------------------------------------------GAEEAIEELKEVVEFLKDPSKFNRIGARMPKG---ILLVGPPGTGATLLARAVAG---EANV----PFFHISGSDFVELFVGVGAARVRDLFAQAKAHAPCIVFIDEIDAVGR---HDEREQTLNQLLVEMDGFDSKEGIIVMAATNRPDILDPAL-LRPG---RFDKKIVVDPPDMLGRKKILEIHTR-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KDS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 765 -104935 -137.17 -643.77 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain E : 0.67 3D Compatibility (PKB) : -137.17 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_3KDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KDS-query.scw PDB file : Tito_Scwrl_3KDS.pdb: