Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQ-----VADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELRLPAVLKTCRGGYDGKGQFVIKEEAQMEQAAALLEHGT--CILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPARVEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLLGDEVKLVEEDPELLKEAKLYIYGKHEIKKGRKMGHITF-MKQPEDEWIQEITNKWMNRDGGQAE 4MA0 Chain:A ((3-350)) -----------IGIIGAGQLARMLSLAGTPLGLEFHCLG--KNGDCAEEVVKTVTDIELT-KVND---VVAWAKQFDVITFENENISHELIKAINHEVSVYPSAKAIAISQDRLLEKSFMQDHGIATAKFVNIDSLAKLQSAVDDHGLPAILKTRRFGYDGKGQFVIRSQEDITKAWDVLKDAPDGLIYEAFVDFDYEVSQICTADLKGNIAFYPLARNTHKQGIIVESEAPFE-NVVLAEKAQQIAKILVKEFAYVGTLAIEFFVKGD-ELIVNEIAPRVHNSGHWSIDGAVTSQFENHVRAIAGLILGDTTSRKT-VMLNCIGGMP--ATKDLAALDRVKIHSYNK-EPRKGRKVGHLNLNLNDETDEY-----------------

General information: TITO was launched using: RESULT: Template: 4MA0.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 : 1938 -184528 -95.22 -542.73 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -95.22 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_4MA0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MA0-query.scw PDB file : Tito_Scwrl_4MA0.pdb: