Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDP-----IIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGT-YSLPKSEFVVPDLELPSWLTTGNYRIESVLSSS-GKRLGCIKIAASLKGI 1NEP Chain:A ((2-129)) --------------------------------PVKFKDCGSW--VGVIKEVNVSPCPTQPCKLHRGQSYSVNVTFTSNTQSQSS-KAVVHGIV--MGIPVPFPIPE-------SDGCKS---G-----------------IRCPIEKDKTYNYV-NKL-----PVKNEYPSIKVVVEWELTDDKNQRFFCWQIPIEVE--

General information: TITO was launched using: RESULT: Template: 1NEP.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 : 597 6146 10.29 50.79 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 10.29 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_1NEP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NEP-query.scw PDB file : Tito_Scwrl_1NEP.pdb: