Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MRKPLFYATITKTFEHKKGGKDVYLSSEYLKQFDKDLYYKILLLESFEDQAWHTAAQLAQVVQLDARSVSKYLNELSKNYQQFSGKTHPLFTKNHRSGYNFYDTLDSIEHERFLIYLVQSTLKFQLLHDIFFEEFHTMYQFAQKHYISESTAHRKINEWKQQLQTYGIRLQRGTYIAQGEEEIIRLYLHMTFWQLFRGKIWPFETISQMDVKNMAEHIMAFFNVRLNEIKKRRLEYMLGAFFLRKSQKHYVVLNEKKRRLISDNLLFQRFCQVMEPVFPNYFQVEDELGALFLVLMTREEYYSDPKIRKKIFDFHQQAKTPPFT----ALSEAKAALSLYQEEQGLPAENLTFEAENYLFSSHFFAYLFPNAKETIDGNSSDFINHLVIENKELKQWLVHFFESRHKHPNHLAFKNHAFLMGRYLTVFKTLGAFTPQLPKITILLMTDFPLFEEQLLEEGLRTFFRNEYQLIFLPTDYRGREVDLLISTSKVHRKP---WADLDYFIVTEELKLIDYIQLSQKFEMIQKQKLLKQ 5LJX Chain:A ((6-415)) TPVWNDNAHGVGSVPMHTDLELDFSLTSSSKYTYRRKLTNPAQSIDLHIEIE----------------EQTIGVDVHALG----------HWFDGRLN--LKTSFKYEYPWHTAKCHYERD-------------------YQYEGCTACGLYLDQLKPVGSAYKIIT----------IRYSRRVCVQFGEENLCKIIDMNDCFVSRHVKVCIIGTVSKFSQGD----TLLFFG-----------------------------------PLEGGGLIFKHWCTS-----------TCQFGDPGDIMSPRDKGFLCPEFPG---SFRKKATTPICEYDGNMVSGYKKVMATIDSFQSFNTSTMHFTDERIEWKDP-------------DGMLRDHINILVTKDID--------FDNLGENPCKIGLQTSSIE-----------GAWGSG---------VGFTLTCLVSLTE--CPTFLTSIKACDKAICYGAESVTLTRGQNTVKVSGKGGHSGSTFRCCHGE-------DCSQIGLHAAAPHL---

General information: TITO was launched using: RESULT: Template: 5LJX.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 : 1925 34119 17.72 93.48 target 2D structure prediction score : 0.24 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 17.72 2D Compatibility (Sec. Struct. Predict.) : 0.24 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.109

(partial model without unconserved sides chains): PDB file : Tito_5LJX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJX-query.scw PDB file : Tito_Scwrl_5LJX.pdb: