Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKAALFDLDGVLVDTARYHYEAWLVLANQLSIPFTEKENEQLKGISRTESLERLLSFGKMEQKFSEKEKSAFAEQKNNLYLQAIQKMDETSVLPGAIAVLEYLKKTNIKIGLGSASKNARLILEKTNLTSYFDVLIDGTQVSKAKPDPEVFLKGAQQLNVPPNACLVIEDSEAGCQAALAGNMHVLGIGENINLPSAEYVIPDLTVFDQVRSFWHLSEAVSRI 3NAS Chain:B ((3-211)) ----AVIFDLDGVITDTAEYHFLAWKHIAEQIDIPFDRDMNERLK----EESLESILIFGGAETKYTNAEKQELMHRKNRDYQMLISKLTPEDLLPGIGRLLCQLKNENIKIGLASSSRNAPKILRRLAIIDDFHAIVDP---------PDIFLTAAAM----PADCAAIEDAEAGISAIKSAGMFAVGVGQGQPMLGADLVVRQTSDLTLEL------------

General information: TITO was launched using: RESULT: Template: 3NAS.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 : 873 -128214 -146.87 -667.78 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -146.87 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.612

(partial model without unconserved sides chains): PDB file : Tito_3NAS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NAS-query.scw PDB file : Tito_Scwrl_3NAS.pdb: