Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAAAHHHHLPPLLCASTFHITRIRSPAAQHTPIRNAVRRGTRTNSTAAAVNVSAYSFAAPPLTNPYAYAASPSPSSAPSMRTVGVAAAAAAMSTVHAASVTNSGAAAHTWTNGGRGGHGAAHALTNSGRDVSLVLLTVACTLLVVTIVLLIVGVRLLKRFAAAVAAAEGARGQDILSNNLSAGEAAAYISVGIVDDDDEAALHTDNGDSRTQLVEYADEREPLLHHVRGRGGGAGRHRRSASRQHQQPGRRTTLAVFEALSILLGVSSTPPTADASSHGAAAAPRRRSRSCQAGSSAVPTPENQPALRSSPQQQRHAGRRAVPDALAADENSRGAFRSGPQPTWHSNGSLSRSGAARKCDEAAVAPASASPAPASHPAAAPGSSAAPATADHGATPPSGNSQLPVFTTTTEKDMVVYNTTHNSRYRLLQRIGIGAFSSVYLVQHKTTGKQYALKYILCKGDRERLAALRECEVIYSLQGHPQVIRIVDMFMSYQFQRASPSPTVAGSPTAAATNSACKEQASGQQGLRSFPGVPPSAPAAPAAALAPSAIATPALAPASAAPASTYTTSVAGRLKGLNDAALTKAAMESSTESRAAAHSEADDGHVDFSCVDRDRYSEGRWRGSRPRVRPSVEGVACGACMVNVDHASDVENGESAYSEHQQPQQPGKLSMRASSVCCPRPLPHSVQHTSQSSSSVHPTLSAAASASTAPATASSSSALAGSSYVPAQLCAAAGGGAQGCGHVPSQSAHHSSTTASAARAAATGSLSPPRDEAHADQPHLCCHAIDVPDAVVHDESDATAPVNASARCCAAHSTTTTAASMHPCFPSTTRNATVSRSSEASHEPGTLEDYDGGDGVHSGSDSRRRAEQGQSATGERAKPALQSRRASSEGRGSDGADDGHADIEAGREERRTELCGDADADEMHSCKGSDARSGATSSSGADEEPIQPIHRIFVPPPYMHPPLNGMASAPRSCSICSNNSVSYAGTGNGAASVLRPQSRTCATGGESPTSHHLYSAFPTAAAGGALAVVGPETANGSTAPAPVRRIAERPDVGSLSETASPPPFAAASASLTSSSPSPSAAVNLRHTAGSLVSTSTLPHQQQQQHPQPIPSSVTSYAPARAAVSSADVKSAATGAPAVQAPIRYKDFVLSPTTVTAHAAASWTPVPATQANALVDGQTHRQPADRGGSPAPPPCAASARVGSGAAGAGATGLTVARPTDECVNPYLERARGREPVPPPRTSYAPGGGVRYNSLTVPYVAAPTTLQAAAKGFPAQSSSPSSSLTLSASGTGVSAFDERKAGAGQGRRFEVTGADSSSQDSDASMPASQAARLTASRSLPSTAPAAATVVRNTYAPLRYGNVVQSNAASPATSSMASSSLMPPPSPSLQKQLPQPPSAACPAAAAPTVGSGRLSVCGVLRTARAGQQGEREDWDDGKPRVSASWPAKDAGLVSTQAPPLLPLPGLANQTSGAYFLRSVGRVNGAGAVPRAATPRAPYGEGRPPAAAAAQDEAPSPTRPLYTNLGVLIAGPSMTADPATATTTHVLRTGVQPPSPRHPRSNSYAGDDADRKRQRGYSNVGLTGAAPSEVRYTNAGSPNLWNAYNAGASPASAASAAAVAALTGLSPRIGAKTPTAACAGESNINDGKSSKTTHTNSSSSHLQDVCDTGYLCLVMEHHPMGDLCRYALRAQHELEMRRHRQKQSQSQALARSSLMSVGILQPITSPATATTQSRTCTSERSSAQQPQAPTKNATERDGGGTGAEAGESTSPLSLRPLSLTHGGAAGSAAAALSLLAAAADATWTVKVAMSRTDLHPALSAGVGGRGNTSGSHTAGGTDGDERATDFDTQRAASVAVDPTSENPLTEAQLLSIAYQLASVLDHMHQQNPPIVHRDLKPENILIKGELIDYLDLPLSAVLASTNNTVHCGGKDDALGKSSVSPMTPPFTTPAAVIDAAASSLTSLP-------PIRITRAVV----PIVLIDFGLAILQDTHGRSHGSRGGGTRPYIAPESWKGDTC---TASDVWSLGCVLYALATCRLVAEDVRIMSQEAKRDGFASRMLKDIIAHKYSLAFASFVVSLLVVDPAKRPTAAQAARCFCVADGDICFDLSSPFFSNVLDL 4BTF Chain:A ((7-460)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DKLGQIIKLGQLIYEQCEKMKYCRKQCQ-RLGNRVHGLLQPLQRLQAQGKKNLPDDITAALGRFDEVLKEANQQIEKFILFHEVNEKLRDVWEELLLLLQV--PASWQQEDRQDAEEDGNENMKVILMQLQISVEEINKTLKQC--SIPQDLQIKEIPKEHLGPPWTKLKTSKMSTIYRGEYHRSPVTIKVFNNPQAESVGIVRFTFNDEIKTMKKFDSPNILRIFGICIDQTVKPPEFSIVME--YCELGTLRELLDREK----DLTMSVRSLLVLRAARGLYRLHHSETLHRNISSSSFLVAGGYQVKLAGFELSKTQNSI-----SRTASSTIYVSPERLKNPFCLYDIKAEIYSFGIVLWEIATGKIPFEG---CDSKKIRELVAEDKKQEPVGQDCPELLREIINECRAHEPSQRPSVDGILERLSA--------------------

General information: TITO was launched using: RESULT: Template: 4BTF.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 : 1778 -62277 -35.03 -156.08 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -35.03 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.260

(partial model without unconserved sides chains): PDB file : Tito_4BTF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BTF-query.scw PDB file : Tito_Scwrl_4BTF.pdb: