Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLERAVTYKNNGQINIILNGQKQVLTNAEAEAEYQAALQKNEAKHGILKEIEK-EMSALVGMEEMKRNIKEIYAWIFVNQKRAEQGLKVGKQALHMMFKGNPGTGKTTVARLIGKLFFEMNVLSKGHLIEAERADLVGEYIGHTAQKTRDLI---KKSLGGILFIDEAYSLAR------GGEKDFGKEAIDTLVKHMED-KQHEFILILAGYSRE--MDHFLSLNPGLQSRFPISIDFPDYSVTQLMEIAKRMIDEREYQLSQEAEWKLKDYLMTVKSTTSPIKFSNGRFVRNVIEKSIRAQAMRLLMGDQYLKSDLMTIKSQDLSIKEEASGSA 2DHR Chain:A ((18-202)) -------------------------------------------RARVLTEAPKVTFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGARIPKGVL---LVGPPGVGKTHLARAVAG---EARV----PFITASGSDFVEMFVGVGAARVRDLFETAKRHAPCIVFIDEIDAVGRKRGSGVGGGNDEREQTLNQLLVEMDGFEKDTAIVVMAATNRPDILDPAL-LRPGRFDR-QIAIDAPD-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DHR.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 : 852 -109182 -128.15 -634.78 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -128.15 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2DHR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DHR-query.scw PDB file : Tito_Scwrl_2DHR.pdb: