Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRNDLRNIAIIAHVDHGKTTLVDQLLHQAGTFRAN-------EQVAERAMDSNDLERERGITILAKNTAIN-----YKDTRINILDTPGHADFGGEVERIMKMVDGVVLVVDAYEGCMPQTRFVLKKALEQNLNPVVVVNKIDRDFARPE-----------EVIDEVLDLFIELDANEEQLEFPVVYASAINGTASLDPKQ---------------------------------------------------------------------------------------------------Q-DENMEALYETIIKHVPAPVD--------------NAEEPLQFQVALLDYNDYVGRIGIGRVFRGTMKVGQQVSLMKLDGT----------------AKSFRVTKIFGFQGLKRVEIEEAKAGDLVAVSGMEDINV-GETVCPVDHQD---PL---PVLR-IDEPTLQMTFVVNNSPFAGREGKYVTARKIEERLQSQLQTDVSLRVEPTASPDAWVVSGRGELHLSILIENMRRE--GYELQVSKPEVIIKE-ID---------------------------------------------------------------------------------------------------------------------------------------------GVRCEPVERVQIDVPEEHTGSVMESMGARKGEMVDMI-NNGN-GQVRLIFTVPSRGLIGYSTEFLSLTRGFGILNHTFDS--YQPMQAGQVGGRRQGVLVSMENGKATSYGIQGIEDRGVIFVEPGTEVYEGMIVGEHNRDNDLVVNVSKMKQQTNVRSATKDQTTTIKKARIMSLEESLEYLNEDEYCEVTPESIRLRKKILNKNEREKAAKKKKTAGLS 5GAN Chain:C ((129-978)) --IPERIINVGVIGPLHSGKTSLMDLLVIDSHKRIPDMSKNVELGWKPLRYLDNLKQEIDRGLSIKLNGSTLLCTDLESKSRMINFLDAPGHVNFMDETAVALAASDLVLIVIDVVEGVTFVVEQLIKQSIKNNVAMCFVINKLDRLILDLKLPPMDAYLKLNHIIANINSFTKGNVFS--PIDNNIIFASTKLGFTFTIKEFVSYYYAHSIPSSKIDDFTTRLWGSVYYHKGNFRTKPFENVEKYPTFVEFILIPLYKIFSYALSMEKDKLKNLLRSNFRVNLSQEALQYDPQPFLKHVLQLIFRQQTGLVDAITRCYQPFELFDNKTAHLSIPGKSTPEGTLWAHVLKTVDYG-GAEWSLVRIYSGLLKRGDTVRILDTSQSESRQKRQLHDISKTET-PSCEVEEIGLLGGRYVYPVHEAHKGQIVLIKGISSAYIKSATLYSVKSKEDMKQLKFFKPLDYITEAVFKI----VLQPLLPRE--LP---KLLDALNKISKYYPGVIIKVE-ESGEHVILGNGELYMDCLLYDLRASYAKIEIKISDPLTVFSESCSNESFASIPVSNSISVAAEPMDSKMIQDLSRPRKLSKILRTEYGWDSLASRNVWSFYNGNVLINDTLPDEISPELLSKYKEQIIQGFYWAVKEGPLAEEPIYGVQYKLLSISVPSDVNIDVMKSQIIPLMKKACYVGLLTAIPILLEPIYEVDITVHAPLLPIVEELMKKRRGSRIYKTIKVAGTPLLEVRGQVPVIESAGFETDLRLSTNGLGMCQLYFWHKIWRKVPGD-VLDKDA-------------------------FIPKLKP------APINSLSRDFVMKTRRRKGIST-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5GAN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2968 -254692 -85.81 -510.40 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -85.81 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_5GAN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GAN-query.scw PDB file : Tito_Scwrl_5GAN.pdb: