Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKINFFDTTLRDGEQSPGVNLNTQEKLAIAKQLERLGADIIEAGFPASSRGDFLAVQEIARTIKNCSVTGLARCVKGDIDAAWEALKDGAQPRIHVFIATSDIHLKHKLKMTREQVIERAVGMVKYAKERFPIVQ--WSAEDACRTELPFLAEIVEKVIDAGASVINLPDTVGYLAPAEYGNIFKYMKENV-PNIHKAKLSAHCHDDLGMAVANSLAAIENGADQIECAVNGIGERAGNAALEEIAVALHTRKDFYQVETGITLNEIKRTSDLVSKLTGMAVPRNKAVVGDNAFAHESGIHQDGFLKEKSTYEIISPELVGVTADALVLGKHSGRHAFKDRLTALGFQFDSEEINKFFTMFKELTEKKKEITDEDLVSLILEEKVTDRKIGYEFLSLQVHYGTSQVPTATLSLKNQENAQLIQEAATGAGSVEAIYNTLERCIDKDVELLDYRIQSNRKGEDAFAQVYVRVLVNGKESAGRGIAQDVLEASAKAYLNAVNRQLVFQSNMSGLKNHTAVGS 3A9I Chain:A ((2-375)) -REWKIIDSTLREGEQFEKANFSTQDKVEIAKALDEFGIEYIEVTTPVASPQSRKDAEVLASLGLKAKVVTHIQC---RLDAAKVAVETGVQGIDLLFGTSKYL------DIPR--IIEEAKEVIAYIREAAPHVEVRFSAEDTFRSEEQDLLAVYEAVAPY-VDRVGLADTVGVATPRQVYALVREVRRVVGPRV---DIEFHGHNDTGCAIANAYEAIEAGATHVDTTILGIGERNGITPLGGFLARMYTLQPEY-VRRKYKLEMLPELDRMVARMVGVEIPFNNYITGETAFSHKAGMHLKAIYINPEAYEPYPPEVFGVK----------------------GLHYGEEELHRVTQHIKALAD-RGQLTLEEL-DRILREWIT--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3A9I.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 : 1823 -12262 -6.73 -35.75 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -6.73 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_3A9I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A9I-query.scw PDB file : Tito_Scwrl_3A9I.pdb: