Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------MTSVHQLQGVGSASAALLEKLNIFTTDDLLFHLPRDYEDRSTIIPMNQLM--VGRTYLLEGEVKSVDFPP-------GKRKSMAALIQDEFGKVTLRFYHIYKNLTDKIKPGNRLRIFGEVRVGARGLELYHPEIQLINEHTTLPKTQLTAIYPSTDGLTQAKLREYVKQALKHHSDALPELLPKQYTNGYALKEALHYI--------HEPPIDANMIQLAQDSHPAQQRLIFEELVAHQISLLTR--------RAYIRQIASPAFPSSKVLAKKLLEALPFQMTNAQKRVSKEILNDLKQHQPMLRLVQGDVGAGKTLVAAVAACHALEADW--QVALMAPTEILAEQHYLNFKRWFEP--------------LGITVAWLSGK--QKGKARAHAERQIKEGHAELI----VGTHALF------QDNVEFAKLGL----VIIDEQHR----FGVDQRLALRNKGAEQ-----LTPHQLVMTATPIPRTLAMSAYGD--------------------LDTSI--------IDELPPGRTP-----IQTVTIPL-----DRREEVLQRIASNCREGKQAYWVCTLVEQSETLDAQAAEATYQEMKERFPEL--NIGLVHG----KMKADEKQAVMQAFKNNELQ-------LLIATTVIEVGVDVPNASIMVIENA------ERLGLSQLHQLRGRVGRG--AKASFCVLLYKP-------PLSQNGQERLSILRESNDGFVIAE-KDLELRGPGELLGTKQTGDMGF---RVARLERDDHLLSQAHYVAQQVLKDYPEQADALLKRWLPEAPRYAYV------------------------------------------------------------------------------------------------------------------- 4QQX Chain:A ((34-964)) PPLDLRFWAKERGLRGKTYPLVCHSLDAAAAALVLWNEYLSPGLRDTIASSMETDEEHAGHCIAFWAGLHDIGKLTREFQQQIAIDLSAYPGEELSGEQRSHAAATGKWLPFALPSLG--YPN------GGLVTGLVAQMLGGHHGTFHPHPSFQSRNPLAEF-------------GFSSPHWEKQRHALLHAVFDATGRPTPPDMLDGPTASVVCGLVILADWLVSQEDFLLERLTSLPADGSASALRAHFETSLRRIPSLLDAAGLRPITVPPATFTESFPHLSKPNGLQASLAKHLPCLCTG-----------------PGLVLITAPMGEGKTEAAYHVADLLGKATGRPGRFLALPTMATADQMHTRLKEYARYRVENTDLPRSSTLALLHSMAWLNPDYAPAHRDPFAATDWLMGRKRGLLAPWAVGTIDQALMAVLRAKHNALRLFGLAGKVVVVDEAHAVDPYMQVLLEQLLRWLGTLDVPVVLLSATLHHSIANSLVKAYLEGARGRRWNRSEPQPVSEVSYPGWLHVDARIGKVTRSSDVDPLPIATTPRKPLEVRLVDVPVKEGALNRSTVLAKELTPLVKQGGCAAIICT--------TVAEAQGVYDLLSQWFATLAPDLYLLHSRFPNRQRTEITATIVDLFGKEGAQSGRRPTAVLVATQVVEQSLDL-DVDLMISDLAPVSLLLQRAGRCWRHEHLGIINRPQWAKQPELVVLTPEQNRAPWFPRSWTSVYPLALLQRTYTLLRRRNGAPVQIPEDVQQLVDDVYDDDSLAEDLEADMERMGEELAQRGLARNAVIPD-PDDAEDNLNGLTEFSFHVLATRFGAGSVRVLCYYVDTAGNRWLDPECTVEFPEQGTGREGRFTMADCRDLVARTIPVRMGPWASQLTEDNHPPEAWRESFYLRDLVLIPQRVTDAVLPTETGGREWLLDPCKGLIF

General information: TITO was launched using: RESULT: Template: 4QQX.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 : 3365 29384 8.73 46.42 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 8.73 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_4QQX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QQX-query.scw PDB file : Tito_Scwrl_4QQX.pdb: