Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAIQYEKNADNIVILTLDSTGQPANTMNAEFRDSLDEVTQKLKAETELSGVIFRSAKKTFFAGGDLDELIQIQPEHATDFFNM--VEKLKGHLRT------IETLGIPVVAALNGTALGGGWEIALSCHHRIAINDPKSKFGLPEVTLGLLPGGGGIVRMVRLLGLQNAFPFLMEGKQFGVDKAKSLGLIHDTAENEQELLDKAIAWIKANPKSQQPFDVKGYKIPGGDP-KTPAVAQVLAI--APAMLKDKTKGCYPAPEAIMAAAVEGAQVDVDTALRIESRYFTQLATGQISKNMIGTFWHGLNAIKSGASRPADIAKWQATKVGVLGAGMMGAGIAYATAIKGIPVILKDVSVENAEKGKAYSQKLLDKRVSQGRMTAEKRDQILSLITATASAEDLQGCDLIIEAVFENQELKAKVTQEAEQYLAPNGVIASNTSTLPITGLAQASKNDKAFIGLHFFSPVDKMQLVEIIKGKNTSAETLAKAYDFVQQIGKTPIVVNDSRGFFTSRVFGTFIQEGMRLLAEGVHPARIEMAALKAGMPVGPLAIQDEVSLTLTEHVASEARKALQAEGKELPKTPVDEVIHTMIHELNRKGKAAGAGFYDYPENGK--------KHLWEGLNRW-QKDHDISEQDMIDRILFVQALDTLRCYEEGVLESVIDANVGSIFGIGYAPWTGGAIQFLNQYGIDKAQKRAEELAAKYGERFTPPTLLKTKAEQKQNIQ 1WDL Chain:A ((17-713)) ------------IVELKFDLKGESVNKFNRLTLNELRQAVDAIKADASVKGVIVSSGKDVFIVGADITEFVE--------NFKLPDAELIAGNLEANKIFSDFEDLNVPTVAAINGIALGGGLEMCLAADFRVMAD--SAKIGLPEVKLGIYPGFGGTVRLPRLIGVDNAVEWIASGKENRAEDALKVSAV-DAVVTADKLGAAALDLIKRAISGE--LDYKAKRQPKLEKLKLNAIEQMMAFETAKGFVAGQAGPNYPAPVEAIKTIQKAANFGRDKALEVEAAGFAKLAKTSASNCLIGLFLND-QELKKKAKVYDKIAK-DVKQAAVLGAGIMGGGIAYQSASKGTPILMKDINEHGIEQGLAEAAKLLVGRVDKGRMTPAKMAEVLNGIRPTLSYGDFGNVDLVVEAVVENPKVKQAVLAEVENHVREDAILASNTSTISISLLAKALKRPENFVGMHFFNPVHMMPLVEVIRGEKSSDLAVATTVAYAKKMGKNPIVVNDCPGFLVNRVLFPYFGGFAKLVSAGVDFVRIDKVMEKFGWPMGPAYLMDVVGIDTGHHGRDVMAEGFPDRMKDDRRSAIDA-----LYEAKRLGQKNGKGFYAYEADKKGKQKKLVDSSVLEVLKPIVYEQRDVTDEDIINWMMIPLCLETVRCLEDGIVETAAEADMGLVYGIGFPLFRGGALRYIDSIGVAEFVALADQY-AELGALYHPTAKLREMAKNGQSF-

General information: TITO was launched using: RESULT: Template: 1WDL.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 : 3880 -31908 -8.22 -47.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -8.22 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.582

(partial model without unconserved sides chains): PDB file : Tito_1WDL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WDL-query.scw PDB file : Tito_Scwrl_1WDL.pdb: