Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFVDEAVITVEAGDGGNGVASFRREKFVPFGGPDGGDGGRGGSIYIQADDDTSTLVDYRYTRKLRAERGKNGAGANCTGRGGEDVVLKVPVGTTIVDTDSGDIIGDLVEDGQRVMVASGGEGGLGNTHFKSSTNRAPRKCTTGTKGEFREIRLELKVLADVGLLGMPNAGKSTFIRAVSAAKPKVADYPFTTMVPNLGVVDADRHRSFVMADIPGLIEGA--AEGAGLGIRFLKHLARTRILLHIIDVQPIDGSDPAHNAKAIMNELAKFSPTLANLPIVLVLNKLDQI-AEESREEWCQHILDELQWTGPVFKTSGLLEEGTKEVVYYLMDQIEQQREREVEDPEYAAEVRAFREQLEAETREQTIAAKEAYRAMRKAQRLESMMDDDDDFDDDEDDGDVESIYVRD 3A1S Chain:B ((5-172)) --------------------------------------------------------------------------------------------------------------------------------------------------------------MVKVALAGCPNVGKTSLFNALTGTKQYVANWPGVTVEKKEGVFTYK-GYTINLIDLPGTYSLGYSSIDEKIARDYLLK-GDADLVILVADSVNPE-----QSLYLLLEILEM------EKKVILAMTAIDEAKKTGMKIDR-YELQKHLG--IPVVFTSSVTGEGLEELKEKIVEYAQKNTI---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3A1S.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 : 833 -35424 -42.53 -217.33 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -42.53 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_3A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A1S-query.scw PDB file : Tito_Scwrl_3A1S.pdb: