Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFNSHSIPIRLNLLFSIVILLFMTIIGRLLYMQVLNKDFYEKKLASASQTKITSSSARGEIYDASGKPLVENTLKQVVSFTRSN-KMTATDL----------------------KETAKKLLTYVSISSPNLTERQLADYYLADPEIYKKIVEALPSEKRLDSDGNRLSESELYNNAVDSVQTSQLNYTEDEKKEIYLFSQLNAVGNFATGTIATDPLNDSQVAVIASISKEMPGISIS-TSWDRKVL-ETSLSSIVGSVSSEKAGLPAEEAEAYLKKGYSLNDRVGTSYLEKQYEETLQGKRSVKEIHLDKYGNMESVD--TIEEGSKGNNIKLTIDLAFQDSVDALLKSYFNSELENGGAKYSEGVYAVALNPKTGAVLSMSGIKH-DLKTGELTPDSL--GTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQS-IVFQGSAPINSWYTQAYGSFPITAVQALEYSSNTYMVQTALGLMGQTYQPNMFVGTSNLESAMEKLRSTFGEYGLGTATGIDLPDESTGFVPK--EYSFANYITNAFGQFDNYTPMQLAQYVATIANNGVRVAPRIVEGIYGNNDKGGLGDLIQQLQPTEMNKVNISDSDMSILHQGFYQVAHGTSGLTTGRAFSNGALVSISGKTGTAESYVAD-GQQATNTNAVAYAPSDNPQIAVAVVFPHNTNL-TNGVGPSIARDIINLYQKYHPMN 4YE5 Chain:A ((21-551)) ------------------------------------------------SRTTTVTLKARRGKIMDTNGAILAQSVERYTIIGNPEQAQAFIPTTCTKQTGSNCHQINGKPVGVTGAAAVARLLAPVLGM------------------------------------------------------DATE------------LGAKLS--ISGQYVVLKK-DVTPAVKRKISKL--NLGGIVYAELSNERLYSNGTLMGSLLGGVDAD---------------------GKGVAGIEQMENKTLTGRDGYQVYQQGNSGVEIPGTMTESKDAVNGSDVTLTIDRDVQWYTEKVLSDSENKYH-------SAWGIAMVQDVQSGDILALADSDTTEAGSDQ--AKMGASRAVSETFEPGSIGKVLAMSGMLQLGLHKIDDKFTVPNTVTVEG-QTYKD-AVDH-GNEHWTLAGILEQSSNVGMVIAGDK---------------MTNE---QRYNFISKFGIGQATGLNLPGESEGVLHPSDSWDRRTRNTVLFGQGYTVNVMQLTNAISVIANKGVKKPQRIIKSITDTA-----GHVEEQQSKGEATR-VIDESVASQMLNAMESSAEH-YNTFV---K--VDGYRMAAKSGTAEVAGANGQLTSIISDYSTIIPADNPRFVITVVLKDPQGSFGGLTAGPVTAEIGEFLMQKYE--

General information: TITO was launched using: RESULT: Template: 4YE5.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 : 2752 96575 35.09 194.71 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 35.09 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_4YE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YE5-query.scw PDB file : Tito_Scwrl_4YE5.pdb: