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 4EIW Chain:A ((27-211)) -------------------------------------------RARVLTEAPKVTFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGARIPKGVL---LVGPPGVGKTHLARAVAG---EARV----PFITASGSDFVEMFVGVGAARVRDLFETAKRHAPCIVFIDEIDAVGRKRGSGVGGGNDEREQTLNQLLVEMDGFEKDTAIVVMAATNRPDILDPAL-LRPGRFDR-QIAIDAPD-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4EIW.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 : 835 -95900 -114.85 -557.56 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -114.85 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_4EIW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EIW-query.scw PDB file : Tito_Scwrl_4EIW.pdb: