Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTKYRKPLAGTQLEYYDVRQAVEDIQPGAYEKLPYTSKVLAEQLVRRADAENLTAYLTQLIERRQDLDFPWYPARVVCHDILGQTALVDLAGLRDAIAEKGGDPSKVNPVVPTQLIVDHSLAVEYGGADPDAFAKNRAVEDRRNEDRFHFIEWTKTAFKNVDVIPAGNGIMHQINLEKMSPVIQARDGVAFPDTC-VGTDSHTPHTDALGVISVGVGGLEAENVMLGRASWMRLPDIIGVELVGQRQAGITATDIVLALTEFLRKERVVGAYLEFFGEGADSMSVGDRATISNMTPEYGATAAMFYIDQNTIDYLRLTGREDAQVALVEQYAKEIGLWASEMTKAEYPRVLRFDLSTVTRNIAGPSNP---HARVSTSDLKEKGIAGVVENRSDGLMPDGAIIIAAITSCTNTSNPRNTVAAGLLARKANGLGLVRKPWVKSSFAPGSKAAALYLEEAGVLKDLEKLGFGIVAYACTTCNGMSGALNPVIQQEIIDRDLYATAVLSGNRNFDGRIHPYAK-QAFLASPPLVVAYAIAGTIRFDIEKDALGYDKEGNPIYLKDIWPSDAEIDALVKQAVKPEQFRKVYIPMFDLGEVEQAKSPLYDWRPQSTYIR-RPPY--WEGALAAPRTLANMRPLAILGDNITTDHLSPSNAILMDSAAGEYLHKMGVPEEDFNSYATHRGDHLTAQRATFANPKLYNEMVRRSDGTIKQGSKARVEPEGEVMRMWEAIETYMNRKQPLIIIAGADYGQGSSRDWAAKGVRLAGVEAIVAEGFERIHRTNLVGMGVLPLEF-KPGVNRKTLKLDGTELYSVIGNIAPRSTLTLVIERATADGKEEIVEVPVTCRLDTEEEVSVYEAGGVLQRFAQDFLEGQVA 1NIT Chain:A ((66-750)) -------------------------------------------------------------------------PDRVAMQDATAQMAMLQFI--------SSGLP-KV--AVPSTIHCDHLIEAQLGGEKDLRRAKDI------NQEVYNFLA-TAGAKYGVGFWRPGSGIIHQIILENY----------AYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGRAD-----IANLADEFKDHLVPDSGCHYDQLIEINLSELKPHINGPFTPDLAHPVAEVGSVAEK----------EGWPLD--IRVGLIGSCTNSSY-EDMGRSAAVAKQALAHGLKCKS--QFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQ-------WDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDFL-TGKDGKKFKLE-----APDADELPRAEFDPGQDTYQHPPKDSSGQ-------RVDVSPTSQRLQLLEPFDKWDG-----KDLEDLQILIKVKGKCTTDHI---------SAAGPWL--------KFRGHLDNISNNLLIGAINSEN---------RKANSVRNAVTQEFGPVPDTARY------YKQHGIRWVVIGDENYGEGSSREHRALEPRFLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPVDKLTIQG-LKDFAPGKPLTCIIKH--PNGTQETILLNHTF---NETQIEWFRAGSALNRMKE--------

General information: TITO was launched using: RESULT: Template: 1NIT.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 : 4448 61369 13.80 90.78 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 13.80 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_1NIT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NIT-query.scw PDB file : Tito_Scwrl_1NIT.pdb: