Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRLPRIPLADIIDRFVDWITMTFGGFFDGIANGLAAFVNGIVTGLGFIPSILLTIIFAALAWWISTRGIALFTLIGFLLIDYLGYWDPMLQTLALVLTSVIISIVVGVPIGIWASQKE--TVRRIVTPILDLMQTMPAFVYLLPAIFFFNI--GVV-----------------------PGVVASVIFAMPPTIRMTVLGIKQVPADLIEATEAFGSTTAQRLFKVQLPLATKTILAGINQSIMLALS-MVVIAAMVGA-------PGLGSEVYSAVT-QLKTGVGVEAGIAIVIVAITLDRITQNIKVKKKSRGNA 4TQU Chain:M ((66-297)) ----------------------------------------------------------------------------------SEQFIRAIKNTLTLSGLSLLFGFPMPILLALMINEVYSKGYRKAVQTIVYLPHFISIVIVAGLVVTFLSPSTGVVNNMLSWIGLDRVYFLTQPEWFRPIYISSNIWKEAGFDSIVYLAAIMSINPALYESAQVDGATRWQMITRITLPCIVPTIAVLLVIRLGHILEVGFEYIILLYQPTTYETADVISTYIYRLGLQGARYDIATAAGIFNAVVALVIVLFANHMSRRITK----

General information: TITO was launched using: RESULT: Template: 4TQU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain M - contact count / total energy / energy per contact / energy per residue : 656 -112704 -171.80 -575.02 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain M : 0.58 3D Compatibility (PKB) : -171.80 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.243

(partial model without unconserved sides chains): PDB file : Tito_4TQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQU-query.scw PDB file : Tito_Scwrl_4TQU.pdb: