Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQPTTPSQSVIPAWVDSSLLQGMLRGIERESLRM-QSNGFLSQELHPKALGSALTHPKITTDYSEALMEFITSPQPTIGDALHELTDIHAVVHRHLENGEKLWPLSMPCTLDDNEERIRLAQYGTSNIGRFKTLYRRGLGIRYGRRMQTISGVHYNLSFPDSLFSALQAHETDEKLKALSLQDYRSHRYFGLIRNFIRLTPLVMFLVGASPSVCHCFLTGHEHHLLPLIKGSYYLPYATALRMGRLGYQNSAQKSLGIHYNNLTDYLDGLQKAVHSPYPPFSRLGLNDASGEPLQINDHVLQIENEYYSLVRPKQVPQAGETPSQALKNRGVGYVELRAVDVNPYSAIGVNETTAGFLEALALYCLLSDSPELLCPEQDLIEKNQTEVVNRGRAPNATITDLNGSYHIEDWARQHISKMQDCARLLDQTYATDLYSSALAVMQERIDEVDETLSAHVIDDTLKHGGTWSFGSHMAQLHAETYEKH--------EISAETLQYFEQLAVQSLQQQEQLEQDSQISFDQYLEQYR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3LN6 Chain:A ((4-750)) --------DRLLQRSHSHLPILQATFGLERESLRIHQPTQRVAQTPHPKTLGSRNYHPYIQTDYSEPQLELITPIAKDSQEAIRFLKAISDVAGRSINHDEYLWPLSMPPKVREED--IQIAQLED----AFEYDYRKYLEKTYGKLIQSISGIHYNLGLGQELLTSLFELSQAD-----NAIDFQNQLYMKLSQNFLRYRWLLTYLYGASPVAEEDFLDQKLNN------------PVRSLRNSHLGYVN--HKDIRISYTSLKDYVNDLENAVKSG------------------------QAEKEFYSPVRLR-----GSKACRNYLEKGITYLEFRTFDLNPFSPIGITQETVDTVHLFLLALLWIDSH-----------IDQDIKEANRLNDLIALSHPLEKLPNQAPVSDLVDAMQSVIQHFNLS---PYYQDLLESVKRQIQSPELTVAGQLLEMI-EGLSLETFGQRQGQIYHDYAWEAPYALKGYETMELSTQLLLFDVIQKGVNFEVLDEQDQFLKLWHNSHIEYVKNGNMTSKDNYIVPLAMANKVVTKKILDEKHFPTPFGDEFTDRKEALNYFSQIQDKPIVVKPKSTNFGLGISIFKTSANLASYEKAIDIAFTEDSAILVEEYIEGTEYRFFVLEGDCIAVLLRVAANVVGDGIHTISQLVKLKNQNPLRGYDHRSPLEVIELGEVEQLMLEQQGYTVNSIPPEGTKIELRRNSNISTGGDSIDVTNTMDPTYKQLAAEMAEAMGAWVCGVDLIIPNATQAYSKDKKNATCIELNFNPLMYMHTYCQEGPGQSITPRILAKLFPEL

General information: TITO was launched using: RESULT: Template: 3LN6.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 : 2409 3074 1.28 6.86 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 1.28 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_3LN6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LN6-query.scw PDB file : Tito_Scwrl_3LN6.pdb: