Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKLTARFDLEDKVSKKLKRIHKGFQEVEKKVKTINRQIKISIRAEDQAFYRLRKINDYIILKFAKSLEIKVVLDDQVTSKLDAIERKLKRLP--------KETKLTVS-LVDRTAAAYKKIKKMLSNQKLSFLLIP-----DDKVTSTVKRIIGYI---KKNLKNGYTVKLKVIDEITKTVNRLTALLRKFEKTYY---------VKVVVKTKISDKINKKESL---INKETSKKESDKSSDKGSDKNSDQKPGWVGKIKGWLKDWWTKSAWPWIKDTLNEIGKAFLDRFKERLIEKLKNDVFDKIIDKILGPQKKDDSGENSDTDKKVLNRNTGGNCCCDCCEGGISPGTKNKKTYRKKKSPTKAPNRTLKVPGEVIRRRQSGTPAESAPRTSGSKLKNWLGGLKSLGKDSSKLGKAFRGMGKAVPYVGSALAVFDLAGINKDNAGEKVGSIGGRIAGAEAGATAGAEAGATIGSFVGPEGTAIGGAIGGIGGGLVGGIGGEEAGKNIGKMFDTSKLKESISNSLFNKEWWSGKWNSISDTANGAITWIEDTWSKVSTWFDQYVFTPIYNVAVPVINFIVGLFAYAWDGILAVWNIVYPWFKDNVWDPISGAVTNVATTIWTGLCNAWTVISGIWSTVSTWFMDNVWNPVSEAVTTAATWIWSKINDAWTIISNIWTGVSNWFYDNVWNPIVKKVEDIKTSIKEKFDDARKFFEDAWDGIETWFNEHVKDPLVKVSEKIAEKFQWLFDLKDSVGGFVAKVIHRGEEVTHLKKKPIKKDSKEKKTSSKPTTNNIFAQSPSNNNMTVFQQALDQNATGGYITKPTISWIGEAGKEFVIPVDNNRGRGKMLLSQAASKLGMQVVDDMGAASSSGGSPASVSGGAAVSPLSGTASPVMNTANLTGQASTLGQQFSEGFGKGISDQPVKMEDWKKKNINTPFTQMISASPNYGKQMVSGYAKGQSGTATGTDGFLQSKVKTPFQATVSKSSSWGTGTVKGFAQGQNSTQTGTAQYVSTHVDKPFLRSKDTSNSWGSGLIGNFVTGMNSKSSEVKQAAKDMAKRVEQAFREELDIHSPSRVMMSLGRFASVGVVKGLDSVDVKKYAEKQAGSLAAAYSGMGAVGGNVKQWLMAAIMATKTPLSWLSGLMTIAQYESGGNPNSINLWDSNAKAGNPSQGLMQTVPTTFNAHKAPGMGNIRNPIHNAAAAIGYIKSRYGSIDNVPGIKSLKRGGPYVGYANGGLITKEQIARVGEGNKREWIIPEERGIRGRYLLQRAAQALGMEVTDPSQSQQSELSSGQVSAVTSASRPTAAVSGSKEIYIQFNGDQHFHNGQDAESLAAKIKQALIDELQKDINIGTKGVVAFD 4QWA Chain:A ((107-317)) -----AYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGI-SKNKVFAK-------IAADMAKPNGIKVIDDEEVKRLIRELD--IADVPGIGNITAEKLKKLGINKLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPIRTRVRKSIGRIVTMKRNSRN--------LEEIKPY------LFRAIEESYYKLDKRIPKAIHVVAVTEDLDIVSRGRTFPHGISKETAYSESVK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QWA.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 : 556 -50605 -91.02 -278.05 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -91.02 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_4QWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QWA-query.scw PDB file : Tito_Scwrl_4QWA.pdb: