Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MKNILRAMVILLIICG--TYVLFIQYGSV--PEKKSNDSEPQVSNEEAQSGKRIHMPTSGLLSFMGK------------HADEVTKKLGEPERIDPSAYDYDWWVYN-QGKDQYIQ--IGVLNNKVVTLFASG----NDINAKPFKIGESTGEVF--------KTTQVAPFVNVEYKGNSYRFEFSEEDINTRPTVKVGKMYVQLYMDK-FEGKLSSIRAFDAQTFVKQRPYEVVYRGELIKP-KAVSDEKWKKIQTTSEKQILDLTN---VIRVKHG---LAKL-EWDQPTAEVAFGHSE----DMKENNYFSHVSKKYGSLKDRLEEGHVDFQQAGENIAYNYVDGPAAVEGWL----------NSEGHRKALL----NSDYTHLGVGVDRKYY-------TQNFIKRW--------------------------------------- 4D2I Chain:A ((1-476)) MIIGYVIGQATTQEALILAERPVRLGTYVVLEYDNVKALGLITNVTRGSPLLDDNMNDIEIVQRLKQFNNSIPVYTKAKVKLLCDMNNHFLMPDIPPFAGTPAREAEDEELKSIYSQDGQIRIGSLIGKNVEVKLNINSFARHLAILAATGSGKSNTVAVLSQRISELGGSVLIFDYHGEYYDSDIKNLNRIEPKLNPLYM--TPREFSTLLEIRENAIIQYRILRRAFIKVTNGIRAALAAGQIPFSTLNSQFYELMADALKDEVLNKFEEFMDRYSN-VIDLTSSDIIEKVKRGKVNVVSLTQLDEDSMDAVVSHYLRRILDSRKDFKRSKNSGLKFPIIAVIEEAHVFLSK-NENTLTKYWASRIAREGRKFGVGLTIVSQRPKGLDENILSQMTNKIILKIIEPTDKKYILESSDNLSEDLAEQLSSLDVGEAIIIGKIVKLPAVVKIDMFEGKLLGSDPDMIG

General information: TITO was launched using: RESULT: Template: 4D2I.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 : 1264 -81542 -64.51 -238.43 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -64.51 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.124

(partial model without unconserved sides chains): PDB file : Tito_4D2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D2I-query.scw PDB file : Tito_Scwrl_4D2I.pdb: