Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFNSHSIPIRLNLLFSIVILLFMTIIGRLLYMQVLNKDFYEKKLASASQTKITSSSARGEIYDASGKPLVENTLKQVVSFTRSN-KMTAT-------DLKETAKKLLTYVSISSPNLTERQLADYYLADPEIYKKIVEALPSEKRLDSDGNRLSESELYNNAVDSVQTSQLNYTEDEKKEIYLFSQLNAVGNFA--TGTIATDPLNDSQVAVIASISKEMPGISISTSWDRKVL-ETSLSSIVGSVSSEKAGLPAEEAEAYLKKGYSLNDRVGTSYLEKQYEETLQGKRSVKEIHLDKYGNMESVDTIEEGSKGNNIKLTIDLAFQDSVDALLKSYFNSELENGGAKYSEGVYAVALNPKTGAVLSMSGIKH-DLKTG-ELTPDSL--GTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQSIVFQGSAPINSWYTQAYGSFPITAVQALEYSSNTYMVQTALGLMGQTYQPNMFVGTSNLESAMEKLRSTFGEYGLGTATGIDLPDESTGFVPKEYSFANYITNAFGQFDNYTPMQLAQYVATIANNGVRVAPRIVEGIYGNNDKGGLGDLI-QQLQPTEMNKVNISDSDMSILHQGFYQVAHGTSGLTTGRAFSNGALVSISGKTGTAESYVA--DG----QQATNTNAVAYAPSDNPQIAVAVVFPHNTNL----TNGVGPSIARDIINLYQKYHPMN 5TRO Chain:B ((26-550)) -------------------------------------------------------QQPERGKIYDRNGKVLAEDVERYKLVAVIDKKASANSKKPRHVVDKKETAKKLSTVINMKPEEI------------------------------------------------------------------EKRLSQKKAFQIEFGRKGT-NLTYQDKLKIEKM--NLPGISLLPETERFYPNGNFASHLIGRAQKNP----------------DTGELKGALGVEKIFDSYLSGSK----------------------KRGDDVHLTIDSNIQVFVEEALDGMVERYQ-------PKDLFAVVMDAKTGEILAYSQRPTFNPETGKDFG-KKWANDLYQNTYEPGSTFKSYGLAAAIQEGAFDPDKKYKSGHRDIMG-SRISD-WNRV-GWGEIPMSLGFTYSSNTLMMHLQDL---------------VGAD---KMKSWYERFGFGKSTKGMFDGEAPGQIGWS-NELQQKTSSFGQSTTVTPVQMLQAQSAFFNDGNMLKPWFVNSVENPV-----SKRQFYKGQKQIAGK-PITKDTAEKVEKQLDLVVNSKKSHAA---NYRIDGYEVEGKTGTAQVAAPNGGGYVKGPNPYFVSFMGDAPKKNPKVIVYAGMSLAQKNDQEAYELGVSKAFKPIMENTLKYL---

General information: TITO was launched using: RESULT: Template: 5TRO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2753 154568 56.15 324.72 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 56.15 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_5TRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TRO-query.scw PDB file : Tito_Scwrl_5TRO.pdb: