Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKPLFYATITKTFEHKKGGKDVYLSSEYLKQFDKDLYYKILLLESFEDQAWHTAAQLAQVVQLDARSVSKYLNELSKNYQQFSGKTHPLFTKNHRSGYNFYDTLDSIEHERFLIYLVQSTLKFQLLHDIFFEEFHTMYQFAQKHYISESTAHRKINEWKQQLQTYGIRL--------QRGTYIAQGEEEIIRLYLHMTFWQLFRGKI----------WPFETISQMDVKN-------MAEHIMAFFNVRLNEIKKR--------------RLEYMLGAFFLRKSQ----KHY------VVLNEKKRRLISDNLLFQRFCQVMEPVFPNYFQVEDELGALFLVLMTREEYYSDPKIRKKIFDFHQQAKTPPFTALSEAK------AALSLYQEEQGLPAENLTFEAENYLFSSHFFAYLFPNAKETIDGNSSDFINHLVIENKELKQWLVHFFESRHKHPNHLAFKNHAFLMGRYLTVFKTLGAFTPQLPKITIL-------------LMTDFPLFEEQLLEEGLRTFFRNEYQLIFLPTD--------YRGREVDLLISTSKVHRKPWADLDYFIVTEELKLID--YIQLSQKFEMIQKQKLLKQ 4R12 Chain:A ((15-587)) -YTTLYSSYPCTKIMTSDG----QFGCSSKHGGNSGILYLIDDDESYNNY-FSYSQQKDIIVVLDTNYFNSTSVLNLHNKSKIEG---IIVLTDTKKTYPY--SPDSRYPNKIYGLYPNSNLEWNPNADGFTYFSFPFPIFAIDNQTSVAIRNVSKHNRDGQYPAWGAELDSFMQGAINSETCLRRGFCEPVG---GQSIWSSFSSKIDKEKEIILVMLPFDTTAFFRDLSIGADQSSFATVTLLSVIKSLAAVDRSSWNKEVVFAFWNAERWGYVGSEYFINDLLNFQCKTYNSDKSKCIDPPRADLAFQTQINFTKISTIIELNQIGRAQLDKNLGKYSLYLHTAGT--KTSSVTDILDQVASSYENSTITFKPTTQTELPPSSSMSFLKKTNKIPVVVIT--DHDYKYSNPYYGY---------EQDDNENVLGSTLN--DIVYILSTFIDRIAGGNNNITI-DKNFINILYPCFTSSITCFNILMKTYPLNEVPNFYSSVFGTSLTTTLSPYETKLIHRLLYSITQYNSTLTNCTSDNDCPSSLCYSGQCVS---SNTHLHNALSLGFDFDTSKNVWKIVNSSYPIFTESNWDYTALKVFKI

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 : 2890 -54158 -18.74 -109.41 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -18.74 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.141

(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: