Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKPLTPRQIVDRLDQYIVGQQNAKKAVAVALRNRYRRSLLDEKLKDEVVPKNILMMGPTGVGKTEIARRIAKLSGAPFIKIEATKFTEVGYVGRDVESMVRDLVETSVRLIKEEKMNEVKEQAEENANKRIVRLLVPGKKKQSGVKNPFEMFFGGSQPNGEDEAESQEEANIEEKRKRMAHQLALGELEDYYVTVEVEEQQPSMFDMLQGSGMEQMGMNMQDALSGLMPKKKKRRKMTVREARKVLTNEEASKLIDMDEVGQEAVQRAEESGIIFIDEIDKIAKNGGASSSADVSREGVQRDILPIVEGSTVVTKYGSVKTDHVLFIAAGAFHMAKPSDLIPELQGRFPIRVELNKLTVDDFVRILVEPDNALLKQYQALLQTEGISLEFSDEAIHKIAEVAYHVNQDTDNIGARRLHTILERLLEDLSFEAPDVTMEKITITPQYVEEKLGTIAKNKDLSQFIL 1DO0 Chain:D ((3-442)) -----MTPREIVSELDKHIIGQDNAKRSVAIALRNRWRRMQLNEELRHEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEVGYVGKEVDSIIRDLTDAAVKMVRVQAIEKNRYRAEELAEERILDVLIPPAKNNWG------------------QTEQQQEPS--AARQAFRKKLREGQLDDKEIEID-------------------------------------ARKLKIKDAMKLLIEEEAAKLVNPEELKQDAIDAVEQHGIVFIDEIDKICKRG-ESSGPDVSREGVQRDLLPLVEGCTVSTKHGMVKTDHILFIASGAFQIAKPSDLIPELQGRLPIRVELQALTTSDFERILTEPNASITVQYKALMATEGVNIEFTDSGIKRIAEAAWQVNESTENIGARRLHTVLERLMEEISYDASDLSGQNITIDADYVSKHLDALVADEDLSRFIL

General information: TITO was launched using: RESULT: Template: 1DO0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1833 -207417 -113.16 -513.41 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain D : 0.87 3D Compatibility (PKB) : -113.16 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_1DO0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DO0-query.scw PDB file : Tito_Scwrl_1DO0.pdb: