Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAGKKTITINGVEMEASEEQTVLQLLNNSSIEVPQVCYHPSLGPIETCDTCIVSINGELKRSCSAELKDGDVIDTLSPDVKKAQVIGMDKILYNHELYCTVCDYNNGGCEIHNTVKEMKINHQSIPFDHKPYHKDESHPFYRYDPDQCILCGRCVEACQDVQVTETLTIDWERKRPRVIWDNDVPINESSCVSCGHCSTVCPCNAMMEKGMEGEAGYLTGINNETLRPMIEITKGVETGYGSILAISDMESAMRDERIKKTKTVCTYCGVGCSFDVWTKGRDILKVEPQEEAPANGISTCVKGKFGWDFVNSEERLTKPLIR--------EGDHFREAEWEEALLLIASKFTELKEAFGPDSLAFITSSKCTNEESYLMQKLARGVIGTNNVDNCSRYCQSPATAGLFRTVGYGGDSGSITDIAQADLVLIIGSNTSESHPVLSTRIK-RAHKLRGQKVIVADIRKHEMAERSDLFVQPRAGSDIVWLNAIAKYLIENGKADERFLRE----------------------------------RVNGRDEYVKSLAPYTLEYAEEKTGIDQETLIQMAEMIGQAD-SVCALWAMGVTQHIGGSDTSTAISNLLLVTGNYGKPGAGSYPLRGHNNVQG-ASDFGSMPDRLPGYEKVTDEQVRQKYERVWGVP---LPKEPGMTNHEMIEKIHSGQLKAMYVKGEEMGLVDSNINH--VHAAYEKLDFFVVQDIFLSRTAEFADVVLPASPSLEKEGTFTNTERRIQRLYQVFEPLGESKPDWQIIMEVAN--KLGAGW-------------------LYEH-----------PADIMEEAAKLSPIYAG-------VTYERLEGYN-----------SLQWPVNADGKDSPLLFTER----------FPF---PDGKAILYPVQWTEPKEF-GEEYDIHVNNGRLLEHFHEGNLTYKSKGISEKTPEVFLEISPELAAERGIQDGTLVRLTSPFGNVKVKCLITDRVKGKE--VYLPMNDSGEAAINLLTGSHADKDTDTPAYKETSAKMEILKHDGISPLPKINHRNGNPQPQIGVQVHKKWARKDYIFPGDAVKRGMGHNG 3O5A Chain:A ((11-778)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLKWSKAPCRFCGTGCGVTVAVKDNKVVATQGDPQAEVNKGLNCVKGYFLSKIMYGQDRLTRPLMRMKNGKYDKNGD-FAPVTWDQAFDEMERQFKRVLKEKGPTAVGMFGSGQWTVWEGYAAAKLYKAGFRSNNIDPNARHCMASAAAGFMRTFGMDEPMGCYDDFEAADAFVLWGSNMAEMHPILWTRVTDRRLSHPKTRVVVLSTFTHRCFDLADIGIIFKPQTDLAMLNYIANYIIRNNKVNKDFVNKHTVFKEGVTDIGYGLRPDHPLQKAAKNASDPGAAKVITFDEFAKFVSKYDADYVSKLSAVPKAKLDQLAELYADPNIKVMSLWTMGFNQHTRGTWANNMVYNLHLLTGKIATPGNSPFSLTGQPSACGTAREVGTFSHRLPADMVVTNPKHREEAERIWKLPPGTIPDKPGYDAVLQNRMLKDGKLNAYWVQVNNNMQAAANLMEEGLPGYRNPANFIVVSDAYPTVTALAADLVLPSAMWVEKEGAYGNAERRTQFWHQLVDAPGEARSDLWQLVEFAKRFKVEEVWPPELIAKKPEYKGKTLYDVLYRNGQVDKFPLKDVNAEYHNAEAKAFGFYLQKGLFEEYATFGRGHGHDLAPFDAYHEARGLRWPV-VNGKETRWRYREGSDPYVKAGTGFQFYGNPDGKAVIFALPYEPPAESPDKEYPYWLVTGRVLEHWHSGSMTRRVPELYRSFPNAVVFMHPEDAKALGLRRGVEVEVVSRRGRMRSRIETRGRDAPPRGLVFVPWFDASQ-LINKVT-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3O5A.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 : 4200 -227980 -54.28 -349.66 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -54.28 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_3O5A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O5A-query.scw PDB file : Tito_Scwrl_3O5A.pdb: