Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MQELANRLAIQNFVNAYMQETGKGYLLSFDQQSSTQQAFSSGSTLLTLPLPSIQAECSVPLSYVSRVGRHRLAALPKMCIDGQWQKFSAGTIVSLLLEELVIESQFKLDAASLLEKWIQSRDALLQFLKQRHNDFDDLVKAGQNFIESEQALILGHSMHPAPKSRNGFVHEDWLKFSPEHAGKTQLHYWLVHQN----YIAEGCATEQPISDQVKDAIRWCLSESDLNLLKTHVEFKLLPLHPWQARYLQGKPWFEQLKQTGQLIDIGLRGWQFSPTTPIRTLASFNAP--WMVKTSLSVMITNSIR---------VNLAKECHRGEISYRLWHSDLGKKILKQCPTLKAVNDPAWIALQIDGEIINETICIFRDQPFAV----QQQVTCIASLCQDHPNKELNRFNALFDQIAQKNQQTNFKEIALDWFDHFLKIGLAPLMYVYHKYGMAFESHQQNVLLELEDGFPKNLWLRDNQGFHYIEEFATEIVEALPDLLEKAHAVGPKDFVDERFSYYFFGNTLFGLINAIGATGYISEDELLIHLQQNLLQLLEQYPDSTLLQGL--LFNDSLPYKGNLLTRLHELDELIAPLEHQSVYVQLPNPLYVEQKDVSYA 2X0O Chain:A ((7-601)) PHPAEIVAHLQPEIWNKVNRLLVRKAISEYAHEWLLEP---QRLGPGETPGFERFRLTLAD-GAQYDFDAQVMAMRHWRIPPESIVKTVAGVPAPLDALQFVIEIRDKLGLPVDR---LPIYMDEITSTLHGSAYKHGRTTLGAAALARA--DYQTIETSMIEGHPSFVANNGRLGFDAEDYHGYAPEAATPVRLMWLAVHKDNAHFSCLSDMDYDSLMSEELGESAVTDFAARLREQGLHPADYYFMPAHPWQWFN-KLSLAFAPYVAQRKIVCLGYGEEQYLAQQSIRTFFNISRPGKRYVKTSLSILNMGFMRGLSPYYMAGTPAINEYIHDLISADPWLRANGFRILREVASMGFRNYYYEAAIDTDTPYKKMFSALWRENPLTLIAPGQNLMTMAALLHVDPQGR------ALLPELIQASGLD-----AGTWLERYVDAYLTPLIHCFYAHDLVFMPHGENVILVIQDGVPVRAFMKDIAEESSI----LNPQVRLPQAAQRLAADVPEAYKLLTIFVDVFEGYFRHLTQILVETELMPEHDFWRLVAGRIAAYQQAHPQRLDKYRRYDLFAPDMIHSCLNRLQLAA--------------PNLPNPIACF-------

General information: TITO was launched using: RESULT: Template: 2X0O.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 : 2929 -18892 -6.45 -34.47 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -6.45 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.343

(partial model without unconserved sides chains): PDB file : Tito_2X0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X0O-query.scw PDB file : Tito_Scwrl_2X0O.pdb: