Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKPLTPRQIVDRLDQYIVGQQNAKKAVAVALRNRYRRSLLD-EKLKDEVVPKNILMMGPTGVGKTEIARRIAKLSGAPFIKI-EATKFTEVGYVGRDVESMVRDLVETSVRLIKEEKMNEVKEQAEENANKRIVRLLVPGKKKQSGVKNPFEMFFGGSQPNGEDEAESQEEANIEEKRKRMAHQLALGELEDYYVTVEVEEQQPSMFDMLQGSGMEQMGMNMQDALSGLMPKKKKRRKMTVREARKVLTNEEASKLIDMDEVGQEAVQRAEESGIIFIDEIDKIAKNGGASS-SADVSREGVQRDILPIVEGSTVVTKYGSVKTD-HVLFIAAGAFHMAKPSDLIP--ELQGRFPIRVELNKLT-VDDFVRILVEPDNALLKQYQALLQTEGISLEFSDEAIHKIAEVAYHVNQDTDNIGARRLHTILERLLEDLSFEAPDV-TMEKITITPQYVEEKLGTIAKNKDLSQFIL 1G41 Chain:A ((2-444)) ---SEMTPREIVSELDQHIIGQADAKRAVAIALR-NRWRRMQLQEPLRHEVTPKNILMIGPTGVGKTEIARRLAKLANA-PFIKVEATKFTV----GKEVDSIIRDLTDSAMKLVRQQEIAKNR-----------------------------------------------------------------------------------------------------------------------------LIDDEAAKLINPEELKQKAIDAVEQNGIVFIDEIDKICKKG--EYSGADVSREGVQRDLLPLVEGSTVSTKHGMVKTDH-ILFIASGAFQVARPSDLIPELQG--RLPIRVELTAL-SAADFERILTEPHASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHTVMERLMDKISFSASDMN-GQTVNIDAAYVADALGEVVENEDLSRFIL

General information: TITO was launched using: RESULT: Template: 1G41.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 : 1543 -182140 -118.04 -558.71 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -118.04 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_1G41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G41-query.scw PDB file : Tito_Scwrl_1G41.pdb: