Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKPLFYATITKTFEHKKGGKDVYLSSEYLKQFDKDLYYKILLLESFE-DQAWHTAAQLAQVVQLDARSVSKYLNELSKNYQQFSGKTHPLFTKNHRSGYNFYDTLDSIEHERFLIYLVQSTLKFQLLHDIFFEEFHTMYQFAQKHYISESTAHRKINEWKQQLQTYGIRLQRGTYIAQGEEEIIRLYLHMTFWQLFRGKIWPFETISQMDVKNMAEHIMAFFNVRLNEIKKRRLEYMLGAFFLRKSQKHYVVLNEKKRRLISDNLLFQRFCQVMEPVFP--NYFQVEDELGALFLVLMTREEYYSDPKIRKKIFDFHQQAKTPPFTALSEAKAALSLYQEEQG-LPAENLTFEAENYLFSSHFFAYLFPNAKETIDGNSSDFINHLVIENKELKQWLVHFFESRHK-HPNHLAFKNHAFLMGRYLTVFKTLGAFTPQLPKITILLMTDFPLFEEQLLEEGLRTFFRNEYQLIFLPTDYRGREVDLLISTSKVHRKPWADLDYFIVTEELKLIDYIQLSQKFEMIQKQKLLKQ 4R6I Chain:B ((9-476)) -------------------------------SIEKEHIRLINLLHFINEQNRWFTIKELSDYLQVADKTVRKYLKLLEDEIPPSW--N-LLVQKGKGIYLKKPLNES---LSFVESKILRKSLNLQICEELVFKK-NSMQSLAQKLHLQVGALYPIINQINYDIQSSHLNIKKKPLEISGREQDVRVFMLRLYCNI-PNDYWPFPYINKQNITDLINKMEKILNVQMYTYSKHKLCVLFAITISRLLSGNTIDNVSGLILVNKNDDHYKTVASITSELQNSFGVTLHETEISFLALALLLSLGNSIT---NKT----LTSYKKTIMPLAKEI---TKGIEHKLQLGINYD--ESFLTY-VVLIIKKALDKNFIQYYNY-NIKFIRHIKQRHPNTFNTIQECISNLNYTVYSHFDCYEISLLTMHFETQRML-----FKNNPKKIYVYTSQGCIHREYISALLEKRYNGLIKIVRNTI---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 : 1872 -39496 -21.10 -90.38 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -21.10 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.381

(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: