Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSRQLEVSLRLAVSMARQKRHEFLTVEHLLLALLDNDS--AVNALKACGADIVSLRKELEEYVEQHTPKLGENSEQAPHPTESFDRILQRAIFHVQSSGGDRTVEGADVLVAMYSERDSFAVYLLKRHQIN----RLTLTQYLSHGTRKDEVQVEEEVEDIEGESNSGNAGPLELYTLNLNVEAQKGKTDPLIGREKEIERTAQILCRRRKNNPLLVGDPGVGKTSIAEGLAWLIVNGKAPKPLSHAEIYSLDIGALVAGTKYRGDFEKRLKQLLNALKKNPNAILFIDEIHMIIGAGSSMGSTMDASNLIKPALANGTLRCIGSTTFQEYRQVFEKDHALSRRFQKIDVNEPSISETIDILRGLKTKFEDFHHVQYDDKALVSAVELSAKFINDRFLPDKAIDVIDEAGAQCRLKA--------ESEDSLITV---------------------------ENIED-----------------------IVSKIARIPPKTVSKDDKSVLENLERDLKRVVFGQDEAITALASAIKLSRAGLKSPDKPVGSFVFAGPTGVGKTEVTKQLAK-LLGVE--LVRFDMSEYMERHAVSRLIGAPPGYVGYDQGGLLTDAIHKNPHCVLLLDEIEKAHPDVFNLLLQIMDHGALTDNNGRKSDFRNVIIVLTTNIGAESISRAS-IGFTEQDHSSDNQEA-------MKRAFSPEFRNRLDGVIQFKALPTTVIESVVDKFLTELQAQLDEKRVVLDVDQSACDWLATNGYDRLMGARPMQRLIQEHLKKPLAEMILFGELADHGGNVAVSVKKEDGKAVGLKLEVFEDHHTAEPA 3J3R Chain:A ((14-802)) ---------LALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGR-----GQEMSQTIHYTPRAKKVIELSMDEARKLG-HSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSN---------ETGSSAAGTNSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQAGNIILFIDALHTLIGAGGAEGA-IDASNILKPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFTTPPNLKELEQKLDEVRKEKDAAVQSQEFEKAASLRDTEQRLREQVEDTKKSWKEKQGQENSEVTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTSRLVGSPPGYVGYDEGGQLTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLTDSKGRTVDFRNTILIMTSNVGASELKRNKYVGFNVQDETQNHKDMKDKVMGELKRAFRPEFINRIDEIIVFHSLEKKHLTEIVSLMSDQLTKRLKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNI-HKGQHIVLDV--EDGEFV----------------

General information: TITO was launched using: RESULT: Template: 3J3R.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 : 3967 202456 51.04 286.36 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 51.04 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_3J3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J3R-query.scw PDB file : Tito_Scwrl_3J3R.pdb: