Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKTLKDIDVKGKVVFCRVDFNVPMKDGEVTDDTRIRAALPTIKHLADQGAK-VLLASHLGRPKGEVV-EELRLTPVAARLGELLGKEVKKADEAYGDAVKAQISEMKDGDVLVLENVRFYPGEE-----------KNDPELAKAF----AELADVYVNDAFGAAHRAHASTAGIAEHLPAVAG-FLMEKELDVLGKAVSNPDRPFTAIIGGAKVKDKIGVIESLLDKVDNLIIGGGLAYTFVKAL-GYEVGKSLLEEDKIELAKSFMDRAKEKGVNFYMPEDVLVADDFSNDANVKIVPI-SEIPSDLEAIDIGTKTRETYADVIKNSKLVVWNGPMGVFEIDLFAQGTKAVAEAL--AEAKDTYSVIGGGDSAAAVEKFGLADKMSHISTGGGASLEFMEGKELPGVAALNDK 1HDI Chain:A ((1-412)) -NKLTLDKLNVKGKRVVMRVDFNVPMAAAQITNNARIKAAVPSIKFCLDDGAKSVVLMSHLGRPDGSPMPDKYSLQPVAAELKSALGKAVLFLKDCVGPAVEKACADPAAGSVILLENLRFHVEEEGKGKDASGNKAAGEPAKIKAFRASLSALGDVYVNDAFGTAHRAHSSMVGV--NLPKKAGAFLMKKELNYFAAAAESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEAGKKIVKNLMSKAAANGVKITLPVDFVTADKFDEQAKIGQATVASGIPAGWMGLDCGPKSSAKYSEAVARAKQIVWNGPVGVFEWEAFAQGTKALMDEVVKATSRGCITIIGGGDTATCCAKWNTEDNVSHVSTGGGASLELLEGKVLPGVDALSN-

General information: TITO was launched using: RESULT: Template: 1HDI.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 : 2276 35681 15.68 91.49 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : 15.68 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_1HDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HDI-query.scw PDB file : Tito_Scwrl_1HDI.pdb: