Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRFAIIGTNWITDRFLESAADIEDFQLTAVYSRSAERAGEFAAKHNAAHAFSDLQEMAASDCFDAVYIASPNALHKEQAVLFMNHGKHVLCEKPFASNTKETEEMISAAKANGVVLMEAMKTTFLPNFKELKKHLH--KIGTVRRFTASYCQYSSRYDAFRSGTVLNAFQPELSNGSLMDIGVYCIYPAVVLFGA-PKDVKANGYAL------SSGVDGEGTVILSYDG-FEAVLMHSKIST--SYAPAEIQGEDGTIVIDTIHRPERVEIRYRDGRL----ENIAIPDPKPAMFYEAEEFVTLIKENKLESEENTFERSLTTAKIMEEARKQMGIVYPADQA 4HKT Chain:A ((3-330)) TVRFGLLGAGRIGKVHAKAVSGNADARLVAVADAFPAAAEAIAGAYGC-E-VRTIDAIEAAADIDAVVICTPTDTHADLIERFARAGKAIFCEKPIDLDAERVRACLKVVSDTKAKLMVGFNRRFDPHFMAVRKAIDDGRIGEVEMVTITSRDPSA---------PPVDYI-KRSGGIFRDMTIHDFDMARFLLGEEPVSVTATAAVLIDKAIGDAGDYDSVSVILQTASGKQAIISNSRRATYGYDQRIEVHGSKGAVAAENQRP-VSIEIATGDGYTRPPLHDFFMTRYTEAYANEIESFIAAIEKGA--EIAPSGNDGLAALALADAAVRSVAEKRQISI-

General information: TITO was launched using: RESULT: Template: 4HKT.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 : 1692 -96126 -56.81 -308.10 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -56.81 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_4HKT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HKT-query.scw PDB file : Tito_Scwrl_4HKT.pdb: