Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------MRQEELTIHKALPADGDWKSLLFQPLPERDHY-----------------------ETAQGLSFSRLAGQILGTPIDETDYYNELYELSVNDRITILSETLDKTIEPETFQKLQHIHSINQKEKGLSVSRFVAFLDGEKLIAKHSNPLMHRHLRKALMTLLHTFADSHEKGLNHPDFRRVLLDVSKFSLNHLNPWLEKTDIEREMPKVVWYGDATKSQLYFLYYLMLVGCDVLLFHPAGTDQLALVDPKQELGFTEKLPDVSELQPFPKEKPDRKSTV-AYRSTKEIEHVLNH---------EESMLYKPW-----------QFRDHTPVSVTLKTTYDELFLITKERAFIR-PNFKADKHSIEIPNVFAKIMGVSKDNKEYWNRLHTLADYQETEMVRSFPFTEEIKSNYQFHYSHALDQEGNIDPDKLMASNVWQYKQL-----PAGVQTAIAKTISRMCRYPRLKALHQEQVKDVQIYLFKQTTNLPANLLKLIQMFDYAQTVPKLV--LYHTEMSGGLTRSDAAALLFLNEIGIDIIIYNPPGHQDIEQFIEE-DQYDIHWLDDMVFQQDYKE-PSLVKRLFRTITQK------------- 5E1J Chain:A ((32-686)) QKAAALVDLAEDGIGLPVEILDRYYFIFTRLDLIWSLNYFALLFLNFFEQPLWCEKNPKPSCKDRDYYYLGELPYLTNAESIIYEVITLAILLVHTFFPISYEGSRIFW-TSRLNLVKVACVVILFVDVLVDFLY-FRIAPYVRVIIFILSIRELRDTLVLLSGMLGTYLNILALWMLFLLFASWIAFVMFEDTQQGLTVFTSYGATLYQMFILFTTSNNPDVWIP--AYKSSRWSSVFFVLYVLIGVYFVTNLILAVVYDSFKEQLAKQVSGMDQMKRRMLE-KAFGLIDSDKNGEIDKNQCIKLFEQLTNYRTLPKISKEEFGLIFDELDDTRDFKINKDEFADLCQAIALRFQKEYHSALSQQLRAFVRSPNFGYAISFILIINFIAVVVETTLDIEESSAQ----KPWQVAEFVFGWIYVLEMALKIYTYGFENYWREGANRFDFLVTWVIVIGETATFITPFSNGEWIRYLLLARMLRLIRLLMNVQRYRAFIATFITLIPSLMPYLGTIFCVLCIYCSIGVQVFGGLNKKLFETELAEDDYLLFNFNDYPNGMVTLFNLLVMGNWQVWMESYKDLTGTWWSITYFVSFYVITILLLLNLVVAFVLEAFFTELDLEEEEK

General information: TITO was launched using: RESULT: Template: 5E1J.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 : 1594 -146055 -91.63 -276.62 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -91.63 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.079

(partial model without unconserved sides chains): PDB file : Tito_5E1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E1J-query.scw PDB file : Tito_Scwrl_5E1J.pdb: