Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------MSTRDLSVLISVVLIVAMLVIPFPPWLLSILIIINISLALIVLLTTMNMQEALQFSIFPSLLLLLTLFRLGLNVSTTRSILSHGEGGKVVETFGNFVVGGNVLVGLVVFIILIIIQFIVITKGAERVSEVAARFTLDAMPGKQMSIDADLNAGMITEQEAKHRREKVAREADFYGAMDGASKFVKGDAIAGIIIVMINIIFGIVIGMLQQGMSIQEAASHFTMLTVGDGIVSQIPALLISTATGIVVTRAASEGNLGHDITGQLFAYPKLLYVAAATIMLLGIFTPIGILLTGPLAGLLAFGAYTLSKSGKE-KEEVDEILEEEAEVDELKSPESVVQLLHIDPIEFEFGYGLIPLADANQGGDLLDRIVMIRRQLALELGLVIPVVRIRDNIALQPNEYRLKIKGNEVAKGELLLDHYLAMSPTPEDDLIEGIETVEPSFGLPAKWISEAVKDEADMLGYTVVDPASVVSTHITEKIKQHAHELIGRQETKQLIDHLKESYPVLVEEVTPNPLSVGDIQKVLAKLLKEKVSIRNLVTIFETLADYGKLTTDSDLLTEYTRQALAKQITAQFAKENEVLKVVTCSGRVEKAIADGVQQTEHGNYLSLEPDISESIVRSVAKEAEQLSLRQETAILLCSPPVRMYVKQLLERYFPDLPVLSYNELEANVEVQSIGVVDI 4R12 Chain:A ((15-587)) YTTLYSSYPCTKIMTSDGQFGCSSKHGGNSGILYLIDDDESYNNYFSYSQQKDIIVVLDTNYFNSTSVLNLHNKSKIE----GIIVLTDTKKTYPYSPD-SRYPNKIYGLYPNSNLEWNPNAD---GFTYFSFPFPI-FAIDNQTSVAIRNVSKHNRDGQYPAWGAELDSFMQGAINSETCLRRGFCEPVGGQSIWSSFSS-----KIDKEKEIILVMLPF----------------DTTAFFRDLSIGADQSSFATVTLLSVIKSLAAVDRSS--------------WNKEVVFAFWNAERWGY-----VGSEYFINDLLNFQCKTYNSDKSKCIDPPRADLAFQTQINFTK-ISTIIELNQIGRAQLDKNLGKYSLYLHTAGTKTSSVTDILDQVASSYENSTITFKPTTQTELPPSSSMSFLKKTNKI-PVVVITDHDYKYS--------------NPYYGYEQD-------DNENVLGSTLNDIVYILSTFIDRIAG-------GNNNITIDKNFINILYPCFTSSITCF------------NILMKTYPLNEVPNFYSSVFGTSLTTTLSPYETKLIHRLLYS-ITQYNSTLTNCTSDNDCPSSLCYSGQCVSSNTHLHNALSLGFDFDTS-------------------------------KNVWKIVNSSYPI----FTESNWDYTALKVFKI

General information: TITO was launched using: RESULT: Template: 4R12.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 : 3292 -271740 -82.55 -494.07 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -82.55 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_4R12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R12-query.scw PDB file : Tito_Scwrl_4R12.pdb: