Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKFVAFMEKHFIPVASKIGAQRHLVAIRDSFMVSMPLMILGALAVMINNLPIPGFQELMNSIFGGESWKGFGAAAWNGTFAILSV-------LIAFLLAYHLANGYRKDGVS--------------AGVISLGSFFALGGALGMSSNGLFIAIIVGIISTEIFVRLSGNEKLIIKMP-----DGVPPAVAKAFASLLPAMITISAFALVAAIFAAFGVD----DIVGSFYTVVQEPFMGLANS-----------------------------YPSALLLAFITPFLWFFGLHGANMVDPLMQTINAPAIEANVNAIAAGHSAP------FIVNKPFF-------DSFVNLGG------TGATLGLLLAIYLVG-----RKNKPYMVVTNLSIAPGVFNIN---------------EPTMFGLPIVLNPIMFIP-----------------FILTPMVLVSVAYFATSTGLVPAATVMPPWVTPPIIGGVLATKSIAG-----------GVLAAVNLVLSILIYLPFVKV------ATIQERRKEALDA----------- 3JC6 Chain:E ((5-650)) ISQFSEAYNKILRNSSSHSSCQLVIFV------SCLNIDALCATKMLSLLFKKQLVQSQIVPIFGYSELRRHYSQLDDNINSLLLVGFGGVIDLEAFLEIDPQEQSFRRDIYVLDAHRPWNLDNIFGSQIIQCFDDGTVDDTLGEQKEAYYKLLELNDLSKRKQRKKQIHEYEGVLEEYYSQGTTVVNSISAQIYSLLSAIGETNLSNLWLNILGTTSLDIAYAQVYNRLYPLLQDEVKRLTPSSRNSVKTPDTLTLNIQPDYYLFLLRHSSLYDSFYYSNYVNAKLSLWNENGKKRLHKMFARMGIPLSTAQETWLYMDHSIKRELGIIFDKNLDRYGLQDIIRDGFVRTLGYRGSISASEFVEALTALLEVGNSAQKLTNLRKRWVSNFWLSWDALDDRKVELLNRGIQLAQDLQRAIFNTGVAILEKKLIKHLRIYRLCVLQDGPDLDLYRNPLTLLRLGNWLIECCAESEDKQLLPMVLASIDENT-DTYLVAGLTPRYPRGTKKPILNNFSMAFQQITAETDAKVRIDNFESSIIEIRREDLSPFLEKLTLSGLL

General information: TITO was launched using: RESULT: Template: 3JC6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1821 -143222 -78.65 -349.32 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain E : 0.63 3D Compatibility (PKB) : -78.65 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.065

(partial model without unconserved sides chains): PDB file : Tito_3JC6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JC6-query.scw PDB file : Tito_Scwrl_3JC6.pdb: