Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIHVIQSQRIDVLLQGVLASTSQPSTHPLQVLKAQHFIVPSPAIEQWLIQKLAEQQGMSANYQFHQRVRGFQWYAYQQVLTVHKEQVRKANIPRLIFKWRVHQALQEFIQLDVMSIDSSHPLHSIVQRIYDSADRLEQGIEKQLKKQKMLYWVAEQVADLFSNYMVYRGQCQRGCENMCTCPNNWLAAWGQGRSLDIEKYIAHKDKEVSAFTLQQTQELERWQRWLWQ---QHFHDDFMQMQQIDELFWQELEHPERQKKALSRLPQQIVIFTLLDLPPSQLQFLRRLGQYIDVLILHYNPSQEYWADSVDPLWKQRYDLGVKERFIAKNPQATDAEIADFFNKFTLN--FNAEARES-RHPLLTRLGKQARDHFSLLSNLSTGEEGKWVDAFVDDFPESLLGKVQSDILHL---------VEPQAK---QYELAPNDDSIQIHVCHSTLRQLEVLKEQLIGWLAKPHEQPR-RPNDILVLVPNLAEVEPLIRSVFPATATEQGVHLPVKIAGIASLDALNAWRAVIGRIHLMQGRFSFDEFADWLGLHATQQRYALEYAQVERILTLLADAGFKRGLDAEHLKRSLCDGDDDYRYSFKFALERLALGIAI-PEHATFNQVLSYAKVQPGDFELIGTLIQIYQDLNERRDWLIMHEQKKSHTVEYWLQILSQDIIEYEQAGVAALKTAREIVKKQERMLT---LASYYAETETGTLRKITLPLPYILDEI-QRTLENQTAQAEPTGQITFAQIGQIRPLPYRLIVMLNLDAGQFPNRDTHVPFDLMDALRQQLGDRSRLEDDQGAFLDALLLAQENLWLFYNGFDVNDGEVRDPSSILQEFREHLALIVKPEPNAPDREVIEGIEIPSQLK-QLYHLHYLQPFDPKGFMAENRYIRYQDHWFNVAMQIQQA-SGVLKPWANISYPLEIPDMLVLDSHQ--WIQDVTFPARLYLKT-LGVENLGNVGVLDQNEPLLLDGLGRYTI-RHFLQQNEQQAQPEVLLDQL-PVGKVQYSAWQQGIFEQECLLERLHHYAPAVTQTTQRVWRIAKQLHMN---IT--VPKSETQDWVSMEASSARAKRRAKVWLEYLLWLTYLNEGSAGTERRRIVVFSDQTVICKGISSEQARQYLQPWFKIWRYAQQQP-LVLPAALLLKPLEKAKAYQWETTNPTEKIKLDEKSYAELLKYWNETGTFTSIDMTQNEACKLHQDWRFILQEQDAQALLQHACDEFAYDLYHPVFQFQHSE 3K70 Chain:C ((30-1041)) --------------------------------FEPEMILVQSTGMAQWLQMTLSQKFGIAANIDFPLPA-SFIWDMFVRVL---PEIPKESAFNKQSMSWKLMTLLPQLLEREDFTL--------LRHYLTDDSDK------------RKLFQLSSKAADLFDQYLVYR--------------PDWLAQWETGH------------------LVEGLGEAQAWQAPLWKALVEYTHQLGQPRWHRANLYQRFIETLESATTCPPGLPSRVFICGISALPPVYLQALQALGKHIEIHLLFTNPCRYYWGDIKDPAYLAK--LLTRQR----RHSFEDRELPLFRDSENAGQLFNSDGEQDVGNPLLASWGKLGRDYIYLLSDLESSQE---LDAFVDVTPDNLLHNIQSDILELENRAVAGVNIEEFSRSDNKRPLDPLDSSITFHVCHSPQREVEVLHDRLLAML---EEDPTLTPRDIIVMVADIDSYSPFIQAVFGSAPADR--YLPYAISDRRARQSHPVLEAFISLLSLPDSRFVSEDVLALLDVPVLAARFDITEEGLRYLRQWVNESGIRWGIDDDNVRELELPATG--QHTWRFGLTRMLLGYAMESAQGEWQSVLPYDESSGLIAELVGHLASLLMQLNIWRRGL-----AQERPLEEWLPV-CRDMLNAFFLPDAETEAAMTLIEQQWQAIIAEGLGAQYGD---------AVPLSLLRDELAQRLDQERISQRFLAGPVNICTLMPMRSIPFKVVCLLGMNDGVYPRQLAPLGFDLMSQ-KPKRGDRSRRDDDRYLFLEALISAQQKLYISYIGRSIQDNSERFPSVLVQELIDY----IGQSHYLPGDEALNCDESEARVKAHLTCLHTRMPFDPQNYQPGERQ-SYAREWLPAASQAGKAHSEFVQP-----LPFTLPETVPLETLQRFWAH----PVRAFFQMRLQVNFRTEDSEIPDTEPFILEGLSRYQINQQLLNALVEQDDAERLFRRFRAAGDLPYGAFGEIFWETQC--QEMQQLADRVIACRQPGQSMEIDLACNGVQITGWLPQVQPDGLLRWRPSLLSVAQGMQLWLEHLVYC-----ASGGNGESRLFLRKDGEWRFPPLAAEQALHYLSQLIEGYREGMSAPLLVLPES-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3K70.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 4587 -64849 -14.14 -66.51 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -14.14 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_3K70.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K70-query.scw PDB file : Tito_Scwrl_3K70.pdb: