Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAIQYEKNADNIVILTLDSTGQPANTMNAEFRDSLDEVTQKLKAETELSGVIFRSAKKTFFAGGDLDELIQIQPEHATDFFNMVEKLKGHLRTIETLGIPVVAALNGTALGGGWEIALSCHHRIAINDPKSKFGLPEVTLGLLPGGGGIVRMVRLLGLQNAFPFLMEGKQFGVDKAKSLGLIHDTAENE---------QELLDKAIAWIKANPKSQQPFDVKGYKIPGGDPKTPAVAQVLAIAPAMLKDKTKGCYPAPEAIMAAAVEGAQVDVDTALRIESRYFTQLATGQISKNMIGTFWHGLNAIK----SGASRPADIAKWQATKVGVLGAGMMGAGIAYATAIKGIPVILKDVSVENAEKGKAYSQKLLDKRVSQGRMTAEKRDQILSLITATASAEDLQGCDLIIEAVFENQELKAKVTQEAEQYLAPNGVIASNTSTLPITGLAQASKNDKAFIGLHFFSPVDKMQLVEIIKGKNTSAETLAKAYDFVQQIGKTPIVVNDSRGFFTSRVFGTFIQEGMRLLAEGVHPARIEMAALKAGMPVGPLAIQDEVSLTLTEHVASEARKALQAEGKELPK-TPVDE-------VIHTMIHELNRKGKAAGAGFYDYPEN-GKKH-----LWEGLNRWQKDHD-----ISEQDMIDRILFVQALDTLRCYEEGVLESVIDANVGSIFGIGYAPWTGGAIQFLNQYGIDKAQKRAEELAAKYGERFTPPTLLKTKAEQKQNIQ 5AAJ Chain:A ((40-691)) -----------------------PVNAVSPTVIREVRNGLQKAGSDHTVKAIVICGANGNFCAGADIHGFSAFTPGLALG--SLVDEIQRYQK-------PVLAAIQGVALGGGLELALGCHYRIA--NAKARVGLPEVTLGILPGARGTQLLPRVVGVPVALDLITSGKYLSADEALRLGILDAVVKSDPVEEAIKFAQKIIDKPI----------EPRRIFNKPVP----SLPNMDSVFAEAIAKVRKQYPGVL-APETCVRSIQASVKHPYEVGIKEEEKLFMYLRASGQAKALQYAFFAEKSANKWSTPSGASWKTASAQ-PVSSVGVLGLGTMGRGIAISFARVGISVVAVESDPKQLDAAKKIITFTLEKEASRAHQNGQASAK--PKLRFSSSTKELSTVDLVVEAVFEDMNLKKKVFAELSALCKPGAFLCTNTSALNVDDIASSTDRPQLVIGTHFFSPAHVMRLLEVIPSRYSSPTTIATVMSLSKKIGKIGVVVGNCYGFVGNRMLAPYYNQGFFLLEEGSKPEDVDGVLEEFGFKMGPFRVSDLAGLD----VGWKIRKGQGLTGPSLPPGTPVRKRGNSRYSPLGDMLCEAGRFGQKTGKGWYQYDKPLGRIHKPDPWLSTFLSQYREVHHIEQRTISKEEILERCLYSLINEAFRILEEGMAARPEHIDVIYLHGYGWPRHKGGPMFYAASVGL-----------------------------------

General information: TITO was launched using: RESULT: Template: 5AAJ.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 : 3281 -81323 -24.79 -131.17 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -24.79 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_5AAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AAJ-query.scw PDB file : Tito_Scwrl_5AAJ.pdb: