Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDYTEKQVLQGKAVLFLGAGASYNCTDREKKRIGFTGNELLQKINEEFLGNTPNHLTLDFASTMAIQKAGRENFDLFIKELVCDFDPTNEHKLLSEFKWKAIFTTNYDEAIEKAYRENKSALQKIEKIISDNDSLQK-VVVNPDKLPIIKIHGCISRPNDTRTPLVISCSDYRRHQENRSSLYQYLKECLTSDLVIFYGYGLGDNNIVGILDDLEKEGVNRTRHIWLDPFMDEMYKDYWESKNLLCKVNNLYDFLSEIKSKKDSNILSLNSFLKNDSVISKLIPSNDRPSNELETYLLKQLLYVEMNDEIKRESDNYNNDIFYRGNAHGFSWVAKNLDFQRAI-ERTLEVELFENFEISNQLFNFLIINGYAGSGKSVLLKRLAWNGVSKFNGNCFYLSEGATLNTKLIFELIKLIKEPIILFVDNILEHQTEILEIKNFSIKDCSKIMIVGAARSNEWNNSENILDKLNPNFFSLKDLNDFEVKNLVNKLKEFKAEGSLKELSDIDKYKFIKEKSNNQLLVTLLEATHYGQEFSEIIKDEYEGIYDRSAKDLYLSICCFHRHGLELRAGMIKRLSGINFEQFKEKFLQPLELLVTSYYSYRVNDIVYTTRHSYIAQHVFKQAFLSEMDKAQQLIKIIRYLNIGFDTDSKALDFILKGRILAEEFNDKDLAHSIFNIAQDIGVNNAFILHQRAIFEINHQNPNYELALDYLKRINSSDGYYDMRTVEHTKANAYRKIALNSSSKQDKIKYRNLSLKLLNDNIRTSNRTSMPYHTKGLVLLDEIKDCDNENDLVDIIKDFENNLSAGFKKFPYDESLTVLEHDFSDEIDNSPRAIEKIKEALRKNSDNIYIVQRYAKFYIKKNDFLEARTCMLNFLRNDVNNRAINYLMAYSYIKENESLYFQ---------NAIKYLKKCYSPRDSNYEPKFLHACLEYIYQSEEKALKIFTDLNQSNVS-PKIKNKPTHMIRDSEGNERFFDAIIVTINDQFGFVKTSKYAENIYVHKSTISNEEDWEALRPGDPLKISIWFSFRGPRAKTAIIL--------- 5IRL Chain:A ((5-830)) --EAAACKKYMSKLRTIVAAQSRFL-------------NLCLEDIY------TENTLEVRTAA-------------LGLEELFSDAD--------------TVLVVG------EAGSGKSTLLQQVHLLWATGQDFQEFLFVFPFSCRQLQ---CVARPLSVMTLLFEHCCWPDV---GQQDVFQFLLDHPDRILLTFDG-----------FDEFKFKFTDHERHC---------------SPTDPTSVQTLLFNLLQ------------GNLLKN---ARKVLTS--RP------------------DAVSAFLRKYVRTEFNL---KGFSEEGIELYLRKCHREPGVADRLIHLLQTTSALHGLCHLPVFSWMVSKCHQELLLQDGGSP-----------------------KTTTDMYLLILQHFLRHAS-LLQGRLPTLLRLGQLALWGLGMCCYVFSAQQLQAAQV-------DPDDISLGFLVQAPLEFLH----------------------------ITFQCFLAAFYLVLSTD---VPTASLRYLF---------NCSTVAALLQK----------------------------------TEPHNLQITAAFLAGLLS--REHRDLLAACQ----------ASERSLLRRRACARWCLARSLHKHFRSIPA----MPGFLWLIRSLYEMQE----ERLAQEAVRGLNVEHLKLTFCGVGPAECAALAFVLRHLR--------RPVALQLDHNSV-------------GDIGVEQLLPCLGA---CKALYLRDNNIS---------------DRGICKLIEHALHCEQLQKLALFNNKLTDGCAHSVAQLLACKQNFL-----ALRLGNNHITAEGAQVLAEG--LRDNSSLQFLGFWGNKVGDKGAQALAEALSDHQS---LKWLSLVGNNI---GSVGAQALASMLEKNVALEELCLAANHL--QDAGVCSLAEGL-----KRNSSLKVLKLSNNCI---TFVGAEALLQALASNDTI-LEVWLRGNPFSPEEMEALSHRDSRLLL

General information: TITO was launched using: RESULT: Template: 5IRL.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 : 4149 13625 3.28 18.84 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 3.28 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.203

(partial model without unconserved sides chains): PDB file : Tito_5IRL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IRL-query.scw PDB file : Tito_Scwrl_5IRL.pdb: