Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIEEQLKALREETLTSLKQITAGNEKEMQDLRVSVLGKKGSLTEILKGMKDVSAEMRPIIGKHVNEARDVLTAAFEETAKLLEEKKVAAQLASESIDVTLPGRPVATGHRHVLTQTSEEIEDIFIGMGYQVVDGFEVEQDYYNFERMNLPKDHPARDMQDTFYITEE---------------ILLRTHTSPVQARAMDAHDFSKGPLKMISPGRVFRRDTDDATHSHQFHQIEGLVVGKNISMADLQGTLQLIVQKMFGEERQIRLRPSYFPFTEPSVEVDVSCFKCGGEGCNVCKKTGWIEIMGAGMVHPRVLEMSGIDA--------TVY---SGFAFGLGQERVAMLRYGINDIRGFYQGDVRFSEQFK 3TEH Chain:A ((85-347)) ------------------------------------------------------------------------------------------------RVDVSLPGASLFSGGLHPITLMERELVEIFRALGYQAVEGPEVESEFFNFDALNIPEHHPARDMWDTFWLTGEGFRLEGPLGEEVEGRLLLRTHTSPMQVRYMVAHT---PPFRIVVPGRVFRFEQTDATHEAVFHQLEGLVVGEGIAMAHLKGAIYELAQALFGPDSKVRFQPVYFPFVEPGAQFAV-WWPEGGK---------WLELGGAGMVHPKVFQ--AVDAYRERLGLPPAYRGVTGFAFGLGVERLAMLRYGIPDIRYFFGGRLKFLEQFK

General information: TITO was launched using: RESULT: Template: 3TEH.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 : 1146 -23184 -20.23 -97.82 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -20.23 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_3TEH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TEH-query.scw PDB file : Tito_Scwrl_3TEH.pdb: