Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLVNEMILVLDFGSQYNQLITRRIREFGVYSELHPHTLTAEEIKKMNPKGIILSGGPNSVYDENSFRCDEKIFELDIPVLGICYGMQLMTHYLGGKVEAASQREYGKANIRIEGTPDLFRDLPNEQVVWMSHGDLVVEVPEGFTVDATSHHCPNSAMSKADKKWYGVQFHPEVRHSEYGNDLLKNFVFGVCECEGEWSMENFIEIEMQKIRETVGDKQVLCALSGGVDSSVVAVLIHKAIG-DQLTCIFVDHGLLRKGEAEGVMKTFSEGFNMNVIKVDAKDRFLNK----------LKGVSDPEQKRKIIGNEFIYVFDDEADKLK---GIDYLAQGTLYTDIIESGT----ATAQTIKSHHNVGGLPEDMQ--FELIEPLNTLFKDEVRALGTELGIPDEIVWRQPFPGPGLGIRVLGEVTEEKL----------E--------------IVRESDAILREEIANHGLE--RDIWQYFTV-LPDIRSVGVMGDARTYDYTIGI---------------------------------------------------------------------------------------------------------RAVTSIDGMTSDWA----RIPWDVLEVISTRIVNEVKHINRVVYDITSKPPATIEWE 2VXO Chain:A ((29-697)) -----EGAVVILDAG--YGKVIDRRVRELFVQSEIFPLETPAFAIKEQGFRAIIISGGP-------APWFDPAIFTIGKPVLGICYGMQMMNKVFGGTVHK-------VFNISVDNTCSLFRGLQKEEVVLLTHGDSVDKVADGFKVVARSGN-IVAGIANESKKLYGAQFHPEVGLTENGKVILKNFLYDIAGCSGTFTVQNRELECIREIKERVGTSKVLVLLSGGVDSTVCTALLNRALNQEQVIAVHIDNGFMRKRESQSVEEAL-KKLGIQVKVINAAHSFYNGTTTLPRISKTLNMTTSPEEKRKIIGDTFVKIANEVIGEMNLKPEEVFLAQGTLRPDLIESASLVASGKAELIKTHHNDTELIRKLREEGKVIEPLKDFHKDEVRILGRELGLPEELVSRHPFPGPGLAIRVICAEEPYICKDFPETNNILKIVADFSASVKKPHTLLQRVKACTTEEDQE-KLMQITSLHSLNAFLLPI-KTVGVQGDCRSYSYVCGISSKDEPDWESLIFLARLIPRMCHNVNRVVYIFGPPVKEPPTDVTPTFLTTGVLSTLRQADFEAHNILRESGYAGKISQMPVILTPLHFDRDPLQKQPSCQRSVVIRTFITSDFMTGIPATPGNEIPVEVVLKMVTEI-KKIPGISRIMYDLTSKPPGTTEWE

General information: TITO was launched using: RESULT: Template: 2VXO.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 : 2309 -252544 -109.37 -518.57 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -109.37 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_2VXO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VXO-query.scw PDB file : Tito_Scwrl_2VXO.pdb: