Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSNEKRFPEGFLWGGAVAANQVEGAYNEGGKGLSTADVSPNGIMSPFDESMTSLNLYHNGIDFYHRYKEDIALFAEMGFKAFRTSIAWTRIFPNGDEEEPNEEGLRFYDDLFDELLKHHIEPVVTISHYEMPLGLVKNYGGWKNRKVIEFYERYAKTVFKRYQHKVKYWMTFNEINVVLHAPFTGGGLVFEEGENKLNAMYQAAHHQFVASALAVKAGHDIIPDSKIGCMIAATTTYPMTSKPEDVFAAMEN-ERKTLFFSDVQARGAYPGYMKRYLAENNIEIEMAEGDEELLKEHTVDYIGFSYYMSMAASTDPEELAKSGGNLLGGVKNPYLKSSEWGWQIDPKGLRITLNTLYDRYQKPLFIVENGLGAVDKVEEDGTIQDDYRINYLRDHLIEAREAIADGVELIGYTSWGPIDLVSASTAEMKKRYGFIYVDRDNEGNGTFNRIKKKSFNWYQQVIATNGESL 1E4I Chain:A ((4-441)) ------QFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNV-----ACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGD-GEVNQKGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQAL-QDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLG--VHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGE-PIDMIGINYYSMSVNRFNPE-----AGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEV-VNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEG-YNMRFGMIHVDFRTQ-----VRTPKQSYYWYRNVVSNN----

General information: TITO was launched using: RESULT: Template: 1E4I.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 : 2618 -132558 -50.63 -303.34 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -50.63 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_1E4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E4I-query.scw PDB file : Tito_Scwrl_1E4I.pdb: