Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELYTLPIIIKTEKMLKDLKQYY--PLSAYEKKKLFHFLAINLLAEQADSLD-IA-SN-QS------LFFSDIGFYH-L-KGVLGEKSVIFINKTLSWLYLHDKLD-QKYL-R-KNEDETIEWLNERFIESFENQFNLLREETSQLIRRELTKIHFKLLHYTIN-KADE-FPLDVSFFRENYPAFYCYLIEYINDLTSKRKE--LLQDKFFLFFSYLLLLINHIPIQLISEPVKIIIDFSYGAAYNQFIKKNLSLYINLNTEVIE---AGKPEFPDVIITNRNNLYEESASQVVVWLDPPRAVDWGNLTKILLTIQEEKYKDSKIDKQIDDFPEEIIDRIE 4R6I Chain:B ((180-476)) ----------NITDLINKMEKILNVQMYTYSKHKLCVLFAITISRLLSGNTIDNVSGLILVNKNDDHYKTVASI-TSELQNSFGVTLHETEISFLALALLLSLGNSIT--NKTLTSYKKTIMPLAKEITKGIEHKLQLG-INYDESFLTYVV-LIIKKALDKNFIQYYNYNIKFIRHIKQRHPNTFNTIQECISNLNYTVYSHFDCYEISLLTMHFETQR----M-LFKNNPKKIYVYTSQGCIHREYISALLEKRYNGLIKIVRNTI--DME-IDIIISN----------------EFPTERDFHEIKK-------------------------------

General information: TITO was launched using: RESULT: Template: 4R6I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 937 -20852 -22.25 -84.08 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -22.25 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_4R6I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R6I-query.scw PDB file : Tito_Scwrl_4R6I.pdb: