Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MWEQLYDPFGNEYVSALVALTPILFFLLALTVLKMKGILAAFLTLAVSFFVSVWAFHMPVEKAISSVLLGIGSGLWPIGYIVLMAVWLYKIAVKTGKFTIIRSSIAGISPDQRLQLLLIGFCFNAFLEGAAGFGVPIAISAALLVELGFKPLKAAALCLIANAASGAFGAIGIPVITGAQIGDLSALELSRTLMWTLPMISFLIPFLLVFLLDRMKGIKQTWPALLVVSGGYTAVQTLTMAVLGPELANILAALFSMGGLALFLRKWQPKEIYREEGAGDAGEKKAYRAADIAKAWSPFYILTAAITIWSLPAFKALFQEGGLLYQSTLLFKMP--FLHQQIMKMPPIAPSAMPLDAVFKVDLLSATGTAILAAVIVTGLFSK--KFSSRDAFASLKETGKELWVPIMTICFVMGFANLANFAGLSSSIGLALAKTGDLFPFVSPVLGWIGVFITGSVVSNNALFGHLQVVTGAQIGAGSDLLLAANTAGGVMAKLVSPQSIAIAAAAVGQTGKESKLFKRTVAYSLILLLIICIWTFILARLGV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2B39 Chain:A ((30-1661)) TPNILRLESEETVVLEAHGGQGTIQVSVTVHDFPAKKQVLSNENTQLNSNNGYLSTVTIKIPASKELKSDKGHKFVTVVATFGNVQVEKVVLISLQSGYLFIQTDKTIYTPGSTVLYRVFTVDHKLLPVGQTVFITIETPDGIPVKRDSKSSQNQFGILTLSWNIPELVNMGVWKIKAYYEDSPQQVFSAEFEVKEYVLPSFEVQLEPEEKFYYIDDPDGLKVNIIARFLYGEQVDGTAFVIFGVQDGDRRISLTHSLTRVPINDGNGEAILKRQVLLNGVQPSRADALVGKSIYVSATVILQSGSDMVEAERTGIPIVTSPYQIHFTKTPKFFKPAMPFDLMVYVTNPDGSPARHIPVVTQGSNVQSLTQDDGVAKLSINTQNKRDPLTITVRTKKDNIPEGRQATRTMQALPYNTQGNSNNYLHLSVPRVELKPGETLNVNFHLRTDPGEQAKIRYYTYMIMNKGKLLKVGRQYREPGQDLVVLPLTITSDFIPSFRLVAYYTLINAKGQREVVADSVWVDVKDSCMGTLVVKNGGKEEKHHRPGQQITLKIEADQGARVGLVAVDKGVFVLNKKNKLTQRKIWDVVEKADIGCTPGSGRNYAGVFTDAGLTLKTSQGLETQQRADPQCPQSVQLMEKRMDKAGQYSSDLRKCCEDGMRDNPMKFPCQRRAQFILQGDACVKAFLDCCEYITQLRQQHSRDGALDDDIIPEEDIISRSQFPESWLWTVIEDLKQADKNGISTKLMNVFLKDSITTWEILAVSLSDKKGICVADPYEVTVMQDFFIDLRL-PYSVVRNE----------QVEIRAILYNY----------REAENLKVRVELLYNP----AFCSLATAKKRHQQTITIP-----------ARSSVAVPYVIVPLKIGLHEVEVKAAVYNHFISDGVKKTLKVVPEGVRVNKTVAVRTLNPEHL-------GQGGV-------QREEV-----------PAADLSDQVPDTESETKILLQGTPV--AQMTEDAIDGERLKH----LIQTPSGCGEQNMIGMTPTVIAVHYLDSTDQWEKFGLEKRQESLELIRKGYTQQLAFRQKSSAYAAFQYRPPSTW---LTAYVVKVFALAANLIAIDSKDLCETVKWLILEKQKPD-----GIFQEDGPVIHQEMIGGFRDTREKDVSLTAFVLIALHEAKDICEAQVNSLGRSIAKAGDFLENHYRELRR---------PYTVAIAAYALALLGKLEGDRLTKFLNTAKEKNRWEEPNQKLYNVEATSYALLALLARKDYDTTPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDVPDHKELNLDVSIQLPSRNSAVRHRILWESASLLRSEETKENERFTVKAEGKGQGTLSVVTVYHAKLKGKVSCKKFDLRVSIRPAPETVKKPQDAKGSMILDICTKYLGDQDATMSILDISMMTGFSPDVEDLKTLSTGVDRYISKYEMNRDSNKNTLIIYLDKVSHTVEDCLSFKVHQYFNVGLIQPGAVKVYSYYNLDETCIRFYHPDKEDGMLSKLCHKDTCRCAEENCFTLEDRLDKACEPGVDYVYKTRLIQKKLEDDFDEYIMVIENIIKSGSDEVQVKQERKFISHIKCREALKLKEGAHYLVWGVSSDLWGEKPKISYIIGKDTWVELWPEAEECQDEENQKQCEDLANFTENMVVFGCPN

General information: TITO was launched using: RESULT: Template: 2B39.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 : 1749 -242228 -138.49 -530.04 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -138.49 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.011

(partial model without unconserved sides chains): PDB file : Tito_2B39.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B39-query.scw PDB file : Tito_Scwrl_2B39.pdb: