Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSP----YAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAA----ATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTR----DLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC 2ACX Chain:A ((14-532)) KARKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERNPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRNLTQNFLSHTGPDLI---PEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVT--------KNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYE-TKDALCLVLTLMNGGDLKFHIYHMGQAG--FPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIK---GRVGTVGYMAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQQRKKKIKREEVERLVKEVP-EEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKL------------------------NFKRLGAGMLEPPFKPDPQAIYCEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGS-

General information: TITO was launched using: RESULT: Template: 2ACX.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 : 1989 36214 18.21 83.63 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 18.21 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_2ACX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ACX-query.scw PDB file : Tito_Scwrl_2ACX.pdb: