Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLERAVTYKNNGQINIILNGQKQVLTNAEAEAEYQAALQKNEAKHGILKEIEKEMSALVGMEEMKRNIKEIYAWIFVNQKRAEQGLKVGKQALHMMFKGNPGTGKTTVARLIGKLFFEMNVLSKGHLIEAERADLVGEYIGHTAQKTRDLIKK---SLGGILFIDEAYSLARGGEK-DFGKEAIDTLVKHMEDK--QHEFILILAGYSREMDHFLSLNPGLQ--SRFPISIDFPDYSVTQLMEIAKRMIDEREYQLSQEAEWKLKDYLMTVKSTTSPIKFSNGRFVRNVIEKSIRAQAMRLLMGDQYLKSDLMTIKSQDLSIKEEASGSA 1IXZ Chain:A ((14-253)) -----------------------------------------------------TFKDVAGAEEAKEELKEIVEFLKNPSRFHEMGA---RIPKGVLLVGPPGVGKTHLARAVAGEAR-------VPFITASGSDFVEMFVGVGAARVRDLFETAKRHAPCIVFIDEIDAVGR----NDEREQTLNQLLVEMDGFEKDTAIVVMAATNRPD-----ILDPALLRPGRFDRQIAIDAPDVKGREQILRIHARGKPL-AEDVDLALLA----KR------TPGFVGADLENLLNEAALLAAREGRR----------KITMKDLEEAA------

General information: TITO was launched using: RESULT: Template: 1IXZ.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 : 1101 -121415 -110.28 -544.46 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -110.28 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_1IXZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IXZ-query.scw PDB file : Tito_Scwrl_1IXZ.pdb: