Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQPVRVAVTGAAGQIGYSLLFRIASGEMLGKDQPVILQLLEVPVEKAQQALKGVMMELDDCAFPLLAGMIGTDDPKVAFKDADYALLVGSRPRGPGMERADLLKVNGEIFIGQGQALNEVASRDVKVLVVGNPANTNAYIAMKSAPDLPAKNFTAMLRLDHNRALTQVAQKAGVVVADIEKLTVWGNHSPTMYADYRFATANGES----LKDKINDPAWNKDVFLPTVGKRGAAIIEARGLSSAASAANAAIDHMRDWALGT-NGKWVTMGVPSDG-SYGIPEGVMFGFPVTTENGEYKIVQGLEIDEFSRERINFTLNELEEERAAIADMVK 4MDH Chain:A ((2-323)) --EPIRVLVTGAAGQIAYSLLYSIGNGSVFGKDQPIILVLLDI--TPMMGVLDGVLMELQDCALPLLKDVIATDKEEIAFKDLDVAILVGSMPRRDGMERKDLLKANVKIFKCQGAALDKYAKKSVKVIVVGNPANTNCLTASKSAPSIPKENFSCLTRLDHNRAKAQIALKLGVTSDDVKNVIIWGNHSSTQYPDVNHAKVKLQAKEVGVYEAVKDDSWLKGEFITTVQQRGAAVIKARKLSSAMSAAKAICDHVRDIWFGTPEGEFVSMGIISDGNSYGVPDDLLYSFPVTIKDKTWKIVEGLPINDFSREKMDLTAKELAEEK--------

General information: TITO was launched using: RESULT: Template: 4MDH.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 : 1752 -114576 -65.40 -362.58 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -65.40 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4MDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MDH-query.scw PDB file : Tito_Scwrl_4MDH.pdb: