Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQFDQVSLRRGGRVLFQKASMQLHPGWKIGLTGVNGAGKSTLFAALLGSLGADEGSLTRPSVWTVAHMAQEVKALDMPAIDFVLSGDEEYWDIQNKLAQPEQL------TDSDLAKL---HGRFDEIHGYSAPSKAAQLMAGLGFLEHQLRL-----NVASFSGGWRMRLNLARTLMSRSDLLLLDEPTNHLDLDAILWLEDWLKAYEGTLILISHDRDFLDAITDHILHIENQELTLYTGNYSTFETTRSERLAQQQQAFEKQQEA--RAHLQKFIDRFKAKATKARQAQSRIKQLERMQQLAPAHV----DTPFTFSFREPTKMSSPLLTLENASIGYGDKKIAEKIKLQITPNSRIGLLGMNGAGKSTLIKSLVGDLPLLAGERKASELLNIGYFAQHQMDALDG------QASPMLQLARIADKQISEATLRSFLGSFGFSGERMDTPCESFSGGERARLALALIVWQRPNVLILDEPTNHLDLDMRHALSMALQDFEGAVVLVSHERQLIASVCDELLLVHG-GKCTEFEGDLQDYAKWLREARQQQINAQTAVAQNNSSSAAPAPAKVDKEAQRKEAARRREQTRPIRKNIEKVESQIEKLQPRLAEIEEALADTSLYEANRKDDLLKLMNEQTELKAKLEQYEEQLLELMMELEEMEASFEN 4FIN Chain:A ((19-533)) -------------RHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQL--NPEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEI---IQ------LNVQLERAADALRLPDWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQ-----EASQEAARRKSIEKELEWVR-QGTK----KGKAR-LARFEELNSTEYQKRNETNELFIPPGP-RLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKLASVDQFR-DSMDNSKTVWEEVSGGLDIMKIGN---TEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGNFTEYEEY-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIN.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 : 2152 4168 1.94 8.72 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 1.94 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_4FIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIN-query.scw PDB file : Tito_Scwrl_4FIN.pdb: