Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MYSVLFRQA-EESSQLAGAKGMNLIKLTKHGLPVPDGFIIQTNALARFMEDN---------QLQETSENVEG---------------GIISG--------------------------------TFSDELKDELTSSFYK---------LRESYRSVA------VRSSSASEDLEGASFAGQYETYLNIK-------TEEEFLAKVKECWASFFSGRVSSYKKKMNNQIAEPLMGIVVQGLIDSEM-----SGVIFSRNPVTHDDRELLISASYGLGEAVVSGNVTPDTFIVNKSSFEIQKEIGAKEIYMESAAEGIAEKETSEDMRSRFCLTDEQVIELAEITKKTEDLYGYPVDIEFGIADHQIYLLQARPITTIDQDKKAAEEKRSFMITDTDMNDFWLNMESNIEGPVSPLFSSFIVPALEYGLKKSMQKFPIGVVVDEVKLYRGHIYSKNQGGQQPPSEDCGKELFPILSEHMYDIINHTYLPFYRTLDQLAQTEHTAESALEAFQKL--KAFYLTAYEEHFNIVFPQILLTNKLQAMYQDIQGE--SENAHFYEMLTGKMNKSLETDRCLWLFSVEVQENPNLLAIFENN-----KPEQLQEKLEQTDEGRHFL-----KNVHEFLQEYGWRSVKSHDLIEQIWVENPYFALA---NIQNYVRNGYHFDNEFQKTKEKREKLYNEFLESIEDPGLRTEFDRYYQWTLNSANIKDDHHFYIDAMLDAKARIFLLKIGELLAENGVIQDREDLWFL--YDDEVEQALLHPVSLQEKAEKRRQIFHEYELAQAPAYLGTPTKEQLKAAEEIVGAVIEDEKNTENHIFGIAASSGIATGPVKIIRDANEFSQFAPGDVLVCKMTTPLWTSLFQDAKAIITDTGGILSHAAIIAREYGI-PAVLGTRTATERLRDGDIITVDGSSGKITVVSRS--------- 1JDE Chain:A ((1-873)) AKWVYKFEEGNASMRNLLGGAGCNLAEMTILGMPIPQGFTVTTEACTEYYNSGKQITQEIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGARASMPGMMDTILNLGLNDVAVEGFAKKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHFDTDLTADDLKELAEKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMNDIP-GDWGTAVNVQTMVFGNKGETSGTGVAFTRNPSTGEKGIYGEYLINAQGEDVVAGVRTPQPITQLENDMP------------------------------------DCYKQFMDLAMKLEKHFRDMQDMEFTIEEGKLYFLQTRNGKRT--------APAALQIACDLVDEGMITEEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASP-GAAAGKVYFTADEAKAAHEK--GERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEAKTFELGGHTFAEGDYISLDGSTGKIETQEASVSGSFERIMVWADKFRTLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSDSVEAREEALNELIPFQKGDFKAMYKALEGRPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGH--------RGCRLAVTY----PEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKGSDMQYHIGTMIE-----IPRAALTADAIA-------EEAEFFSFGTNDLTQMTFGF-----SRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGDPSSVEFCHKVGLNYVSCSPFRVPIARLAAAQAALNNK

General information: TITO was launched using: RESULT: Template: 1JDE.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 : 4424 211368 47.78 280.33 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 47.78 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.196

(partial model without unconserved sides chains): PDB file : Tito_1JDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JDE-query.scw PDB file : Tito_Scwrl_1JDE.pdb: