Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKVHLMVRFVQVVTVLFVLLGCFVIFLYSPFYSKLIVAGLNYFVPVDVNEVAAESQRKAALSEHDNLEPGSNLWIARQAYLKLTEDALRENKTADLGYIQENYKALQQIILLEEKEQELQEEKETTAVGVPLVAKNSEIDAADEASSPIDAALSISSSENKALTEQYTEFLARKPVVPEHQKAASEPEQKVEYVRKNPLPAQPK----KLSEPYAIVVLGGGLTLDKN-------------GKDIVVNSYTR-------------LRLEKTLEVEKKNHLPIVLSGVEAPYMQAWLKARGVDAKLLEKRSMNTCENTRFSSLLLQKKGGAPTVMLVTDEYHMPRTRRLFALNGIETIPVTAPMPTPLTRWQPSTQNYDHSRRANYELLATIRDMLFGSSDCREVP 5E4Z Chain:A ((139-271)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEEIRAAMRPETKVVYIET---PANPTLSLVDIETVAGIAHQQGALLVVDNTFMSPYCQQPLQLGADIVVHSVTKYINGHGDVIGGIIVGKQEFIDQARFVGLKDITGGCMSPF-NAWLTLRGV--KTLGIRMERHCEN-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5E4Z.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 : 375 14569 38.85 141.45 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 38.85 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_5E4Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E4Z-query.scw PDB file : Tito_Scwrl_5E4Z.pdb: