Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVMMSSLKILITKLSTAARTALEKSANACVLQQNYEIEIEHLFLELLNQPLENDLKILLKKYKISADALADDLKETISQLPKGNTRTPIFAKSIVRLFEQAWLLASAEQNPVIRSGHLLVALLTAPDLYQIATRASSLFD--LFPIDSMKHKFLEICEKSVEQQEESKTSSQADELEQAVTPTAKTQKTPALDQYTINLTEKAKNGGIDPVIGREYEIRLMLDILMRRRQNNPILTGEPGVGKTAVVEGLALKIAQGLVPEALKNVHLHVLDMGLLQAGASVKGEFENRLKQVIQEVQSSAHPIILFIDEAHTLIGAGGQAGQNDAANLLKPALARGELRTIAATTWAEYKQYFEKDAALSRRFQVVKVEEPTEEVAVDMLRAMIPVMQKHFNLQIDDEAIVTAVHASHRYISGRQLPDKAVSVLDTAAARVALTQNAQPVKLDQLKAQEHNLKLEQQILENEHLQIPIHHERLENLKNQLKSLQSEIQETQEQWQKELELVRKIQELEAQSHSNESEAYDQINLIRKDLADIQGQQPLVFERVNSQIINEIISDWTGIPVGKMVNDEIKQILTLEDKLGERVMGQDYALTQLVQGIKTSKAKLEDPNKPQGVFLLVGPSGVGKTETALALANELYGGEQHLITINMSEYQEAHTVSSLKGAPPGYVGYGQGGVLTEAVRRNPYSVVLLDEIEKAHSDVQELFYQVFDKGTLEDGEGRVIDFKNTTILLTSNTGSSAIMQACLNQPVE--EWPTAEDLIEHLKPILYKQFKPAFLGRMR-VVPYFPLHDDLLVRIIKHKLGKITARIEKQYGTKVQYSDDLVELLLSRCTEVDSGARNVDNILNSTVLPALATEILVALADQKLPKLIMIDAKDDEIQYLLDPVAKPAKKRTSKKLKSEV 3J3U Chain:B ((3-807)) -----------FGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREG-EGIAAKALQALGLGSEKIQKEVESLIGRGQE-MSQTIHYTPRAKKVIELSMDEARKLGHSYVGTEHILLGLIREGEGVA-----ARVLNNLGVSLNKARQQVLQLLGSNETGS--------------SAAGTNSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQ-AGNIILFIDALHTLIGAGGAEGAIDASNILKPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFTTPPNLKELEQKLDEVRKEK-------DAAV----------------QSQEFEKAASLRDTEQRLREQV-----------------EDTKKSW---KEKQGQENSEVTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTSRLVGSPPGYVGYDEGGQLTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLTDSKGRTVDFRNTILIMTSNVGASELKRNKYVGFNVQDETQNHKDMKDKVMGELKRAFRPEFINRIDEIIVFHSLEKKHLTEIVSLMSDQLTKRLKE-QDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNIHKG--QHIVLDVEDGEFVVKTTA-----------------

General information: TITO was launched using: RESULT: Template: 3J3U.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 : 4333 134018 30.93 169.00 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : 30.93 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_3J3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J3U-query.scw PDB file : Tito_Scwrl_3J3U.pdb: