Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADLEAVLADVSYLMAMEKSKATPAARASK---KILLPEPSIRSVMQKYLEDRGEVTFEKI-FSQKLGYLLFRDFCLNHLEEARPLVEFYEEIKKYEKLETEEERVARSREIFDSYIMKEL-LACSHPFSKSATEHVQGHLGKKQVPPDLFQPYIEEICQNLRGDVFQKFIESDKFTRFCQWKNVELNIHLTMNDFSVHRIIGRGGFGEVYGCRKADTGKMYAMKCLDKKRIKMKQGETLALNERIMLSLVSTGDCPFIVCMSYAFHTPDKLSFILDLMNGGDLHYHL-SQHGVFSEADMRFYAAEIILGLEHMHNRFVVYRDLKPANILLDEHGHVRISDLGLACDF--SKKKPHASVGTHGYMAPEVLQKGVAYDSSADWFSLGCMLFKLLRGHSPFRQHKTKDKHEIDRMTLTMAVELPDSFSPELRSLLEGLLQRDVNRRLGCLGRGAQEVKESPFFRSLDWQMVFLQKYPPPLIPPRGEVNAADAFDIGSFDEEDTKGIKLLDSDQELYRNFPL-TISERWQQEVAET-VFDTINAETDRLEARKKAKNKQLGHEEDYALGKDCIMHGYMSKMGNPFLTQWQRRYFYLFPNRLEWRGEGEAPQSLLTMEEIQSVEETQIKERKCLLLKIRGGKQFILQCDSDPELVQWKKELRDAYREAQQLVQRVPKMKNKPRSPVVELSKVPLVQRGSANGL 3C51 Chain:B ((31-529)) --------------------------RDRKYLARLKLPPLSKCEALRESLD----LGFEGMCLEQPIGKRLFQQFLRTH-EQHGPALQLWKDIEDYDTAD-DALRPQKAQALRAA---PQAQLFCSFLDAETVARARA----------GLFQPLLRAVLAHLGQAPFQEFLDSLYFLRFLQWKWLEAQ-PMGEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLNKKRLKKRKGYQGAMVEKKILAKVHS---RFIVSLAYAFETKTDLCLVMTIMN--DIRYHIY------QEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVRISDLGLAVELKAGQTKTKGYAGTPGFMAPELLL-GEEYDFSVDYFALGVTLYEMIAARGPFRARGE-ENKELKQRV-------PDKFSPASKDFCEALLQKDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDSRT-----------------KGVAFEKADTEFFQEFASGTCPIPWQEEMIETGVFGDLN---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C51.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 : 2119 15960 7.53 35.70 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : 7.53 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_3C51.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c51-query.scw PDB file : Tito_Scwrl_3C51.pdb: