Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADLEAVLADVSYLMAMEKSKAT--PAARASK---KILLPEPSIRSVMQKYLEDRGEVTFEKI-FSQKLGYLLFRDFCLNHLEEARPLVEFYEEIKKYEKLETEEERVARSREIFDSYIMKEL-LACSHPFSKSATEHVQGHLGKKQVPPDLFQPYIEEICQNLRGDVFQKFIESDKFTRFCQWKNVELNIHLTMNDFSVHRIIGRGGFGEVYGCRKADTGKMYAMKCLDKKRIKMKQGETLALNERIMLSLVSTGDCPFIVCMSYAFHTPDKLSFILDLMNGGDLHYHL----SQHGVFSEADMRFYAAEIILGLEHMHNRFVVYRDLKPANILLDEHGHVRISDLGLACDF--SKKKPHASVGTHGYMAPEVLQKGVAYDSSADWFSLGCMLFKLLRGHSPFRQHKTK-DKHEIDRMTLTMAVELPDSFSPELRSLLEGLLQRDVNRRLGCLGRGAQEVKESPFFRSLDWQMVFLQKYPPPLIPPRGEVNAADAFDIGSFDEEDTKGIKLLDSDQELYRNFPL-TISERWQQEVAET-VFDTINAETDRLEARKKAKNKQLGHEEDYALGKDCIMHGYMSKMGNPFLTQWQRRYFYLFPNRLEWRGEGEAPQSLLTMEEIQSVEETQIKERKCLLLKIRGGKQFILQCDSDPELVQWKKELRDAYREAQQLVQRVPKMKNKPRSPVVELSKVPLVQRGSANGL 3C4W Chain:B ((9-529)) ------VVANSAFIAARGSFDASSGPASRDRKYLARLKLPPLSKCEALRESLD----LGFEGMCLEQPIGKRLFQQFLRTH-EQHGPALQLWKDIEDYDTAD-DALRPQKAQALRAAYLEPQAQLFCSFLDAETVARAR--------AGDGLFQPLLRAVLAHLGQAPFQEFLDSLYFLRFLQWKWLEAQ-PMGEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLNKKRLKKRKGYQGAMVEKKILAKVHS---RFIVSLAYAFETKTDLCLVMTIMNGGDIRYHIYNVDEDNPGFQEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVRISDLGLAVELKAGQTKTKGYAGTPGFMAPELLL-GEEYDFSVDYFALGVTLYEMIAARGPFRARGEKVENKELKQRVLEQAVTYPDKFSPASKDFCEALLQKDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDSRTVYAKN--------T--VKGVAFEKADTEFFQEFASGTCPIPWQEEMIETGVFGDLN---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C4W.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 : 2312 103848 44.92 209.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 44.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.351

(partial model without unconserved sides chains): PDB file : Tito_3C4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c4w-query.scw PDB file : Tito_Scwrl_3C4W.pdb: