Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVMMSSLKILITKLSTAARTALEKSANACVLQQNYEIEIEHLFLELLNQPLENDLKILLKKYKISADALADDLKETISQLPKGNTRTPIFAKSIVRLFEQAWLLASAEQNPVIRSGHLLVALLTAPDLYQIATRASSLFDLFPIDSMKHKFLEICEKSVEQQEESKTSSQADELEQAVTPTAKTQKTPALDQYTINLTEKAKNGGIDPVIGREYEIRLMLDILMRRRQNNPILTGEPGVGKTAVVEGLALKIAQGLVPEALKNVHLHVLDMGLLQAGASVKGEFENRLKQVIQEVQSSAHPIILFIDEAHTLIGAGGQAGQNDAANLLKPALARGELRTIAATTWAEYKQYFEKDAALSRRFQVVKVEEPTEEVAVDMLRAMIPVMQKHFNLQIDDEAIVTAVHASHRYISGRQLPDKAVSVLDTAAARVALTQNAQPVKLDQLKAQEHNLKLEQQILENEHLQIPIHHERLENLKNQLKSLQSEIQETQEQWQKELELVRKIQELEAQSHSNESEAYDQINLIRKDLADIQGQQPLVFERVNSQIINEIISDWTGIPVGKMVNDEIKQILTLEDKLGERVMGQDYALTQLVQGIKTSKAKLEDPNKPQGVFLLVGPSGVGKTETALALANELYGGEQHLITINMSEYQEAHTVSSLKGAPPGYVGYGQGGVLTEAVRRNPYSVVLLDEIEKAHSDVQELFYQVFDKGTLEDGEGRVIDFKNTTILLTSNTGSSAIMQACLNQPVEEWPTAEDLIEHLKPILYKQFKPAFLGRM-RVVPYFPLHDDLLVRIIKHKLGKITARIE---KQYGTKVQYSDDLVELLLSRCTEVDSGARNVDNILNSTVLPALATEILVALADQKLPKLIMIDAKDDEIQYLLDPVAKPAKKRTSKKLKSEV 5VY9 Chain:D ((87-859)) ---------------------------------------------------------------------------------------TPSYA--LGKVLQDAAKIQKQQKDSFIAQDHILFALFNDSSIQQIFKEAQ-----VDIEAIKQQALEL-----------RG---------------------YLSKYAIDMTEQARQGKLDPVIGREEEIRSTIRVLARRIKSNPCLIGEPGIGKTAIIEGVAQRIIDDDVPTILQGAKLFSLDLAALTAGAKYKGDFEERFKGVLKEIEESKTLIVLFIDEIHMLMG----NGKDDAANILKPALSRGQLKVIGATTNNEYRSIVEKDGAFERRFQKIEVAEPSVRQTVAILRGLQPKYEIHHGVRILDSALVTAAQLAKRYLPYRRLPDSALDLVDISCAGVAVARDS------------------------------------------------------------------------------------------------------QNVVDSDTISETAARLTGIPVKKLSESENEKLIHMERDLSSEVVGQMDAIKAVSNAVRLSRSGLANPRQP-ASFLFLGLSGSGKTELAKKVAGFLFNDEDMMIRVDCSELSEKYAVSKLLGTTAGYVGYDEGGFLTNQLQYKPYSVLLFDEVEKAHPDVLTVMLQMLDDGRITSGQGKTIDCSNCIVIMTSNLGAEFINS---QQGSKIQESTKNLV---MGAVRQHFRPEFLNRISSIVIFNKLSRKAIHKIVDIRLKEIEERFEQNDKHY--KLNLTQEAKDFLAKYGYSDDMGARPLNRLIQNEILNKLALRIL--------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VY9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2995 -278758 -93.07 -456.23 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -93.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_5VY9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VY9-query.scw PDB file : Tito_Scwrl_5VY9.pdb: