Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVFMGFNCGIVGLPNVGKSTLFNALTKAAIAAENFPFCTIEPNTGIVPVPDPRLDKLAAIVNPQRVLPTTMEFVDIAGLVAGASKGEGLGNQFLANIRETDAIAHVVRCFEDENVIHVNGKIDPLDDIATINTELALADLETVAKAILRLTKVAKGGDKEAVATKAVLEKIQPLLDEGKPARAADLSDDERKLIRGFGLMTLKPTMYIANVAEDGFENNPHLEAVKKLAAEENAIVVPLCNQIEAEISLLEDEDRAEFLEAMGMEEPGLNVVIRAGYKLLGLQTYFTAGVQEVRAWTLKVGATAPQAAGVIHTDFEKGFIRAEVVAYDDFVQYNGENGAKEAGKWRLEGKTYVVQDGDVMHFRFNV 5M04 Chain:A ((178-270)) ---LLADVGMLGMPNAGKSTFIRAVSAAKPKVADYPFTTLVPSLGVVRMDNE----------------KSFVVADIPGLIEGAAEGAGLGIRFLKHLERCRVLLHLIDIDPI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5M04.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 : 321 -41617 -129.65 -447.49 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -129.65 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.363

(partial model without unconserved sides chains): PDB file : Tito_5M04.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M04-query.scw PDB file : Tito_Scwrl_5M04.pdb: