Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIEALLERKEQLQILILRNLVLQGGTASINGLREHVQLSKASFDQYLEDIELIGRMMEKKVEVQ-RNEYQALLVLDEDVSLEKILLFLLQESLKFKMLVYLLEHQQVSIVRLATAFNISESSVFRKIKELNQLLEEFGLQIKN--GQLYGEELQIRYFYYELFQYIPEDQRPLFLQ-NTPEKRPFILGLDRVLETTFTASAEAQIACWLGITKKRLLNEKSTYATLKEKKLLYQSDRLYQAIDPIIVMHLSRTAAELNVYETMMFYSFFVSFSIVDEEIFYQYDLTRSKKLP-TAVLDTYIRETMLWHYRPRRLKIKEEKAVGYQISQINNEWFFFVGKIEVYER-DRLLEQQQKMLGHSLTQLLAKLQETAVQQLPRKRAEDSELSYLMIQYANVLLMIDFYIAKPVVIGIDLESLPIYRIAFQQYLIRELRGIGGIEIGS-YEEGKEYDLVITFCQRNKKQCEYYLSEFASPYDIIRLKRRIETLKKEKN 4R6I Chain:B ((4-476)) MLTPISIEKEHIRLINLLHFINEQNRWFTIKELSDYLQVADKTVRKYLKLLEDEIPPS-W--NLLVQKGKGIYLKKPLNESLSFVESKILRKSLNLQICEELVFKK-NSMQSLAQKLHLQVGALYPIINQINYDIQSSHLNIKKKPLEISGREQDVRVFMLRLYCNI-PNDYWPFPYINKQNITDLINKMEKILNVQMYTYSKHKLCVLFAITISRLLSGNTIDNVSG-LILVNKNDDHYKTVASITSELQNSFGVTLHETEISFLALALLLSLGNSIT---NKTL-TSYKKTIMPLAKEITK-GIEHKLQL-GI--NYDESFLTYVV-LIIKKALDKNFIQYYNYNIKFIRHIKQRH-PNTFNTIQECISNLNYTV-YSHFDCYEISLLTMHFETQRMLF---KNNPKKIYVYTSQGCIHREYISALLEKRYNGLIKIVRNTI---DMEIDIIISN-------------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 : 1879 -32136 -17.10 -73.04 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -17.10 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.382

(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: