Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHETPLYTGLKKHASRQPVQFHIPGHKKGAGMDPEFRQFIGENALSIDLINIEPLDDLHAPKGIIKQAQDLAAEAFGAD--HTFFSVQGTSGAIMTMVMAVCGPGDKIIIPRNVHKS--IMTAIVFSGAVPIFIHPEIDNELGISHGITLESAKRALTEHPDAKGLLVINP-TYFGVAADLKSIVELAHSFDVPVLVDEAHGVHIH-FHDELPLSAMQAGADIAATSVHKLGGSLTQSSILNMREGLVSKDRVQSIL----------------------SMLTTTSTSYLLLASLDVARKRLATEG-RQLAEETLKLANQTRDRLNQIEGIYCVGSEILGSKAAYSYDPTKLIISVKSLGLTGHDVEKWLRESFNIEVELS----DLYNILCIF-TPGDSQNDADRLVEALTEIAQQMSEQDVTHQQTEVLLPEIPLLAMTPRDAFYANTEVIPLKEASGRIIAEFVMVYPPGIPIFIPGEIITEENISYIFKNLDAGLPVQGPEDSTLHMIRVIKEQKAIQ 2CH1 Chain:A ((51-385)) ----------------------------------------------------------------RTMDEVKDGLRYIFQTENRATMCVSGSAHAGMEAMLSNLLEEGDRVLIAVNGIWAERAVEMSERYGADVRTIEGPPD------RPFSLETLARAIEL-HQPKCLFLTHGDSSSGLLQPLEGVGQICHQHDCLLIVDAVASLCGVPFYM------DKWEIDAVYTGAQ-VLGAPPGITPISISPKAL--DVIRNRRTKSKVFYWDLLLLGNYWGCYDEPKRYHHTVASNLIFALREALAQIAEEGLENQIKRRIECAQILYEGLGKM-GLDIFVKDPRH------RLPTVTGIMIPK-GVDWWKVSQYAMNNFSLEVQGGLGPTFGKAWRVGIMGECSTVQKIQFYLYGFKESLKATHP------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2CH1.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 : 1590 -220329 -138.57 -734.43 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -138.57 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_2CH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CH1-query.scw PDB file : Tito_Scwrl_2CH1.pdb: