Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------MQQSHFDMP---EATQAVFNFFFPNGLFYQDSKGGVWEEGIIVVIELQAIDSNGDPVGSIITINQEIRANNKSQLGRTIYIDLPTAGS-----FRFRLSRTTATQAGKTQDTCKIKSVYGMADSSISDYGNVTVLRSRTVATDGALSIKERKLNCLVNRKL---PLDGTGPLQVTRSAGQALINLALDEHIGRRTSA-----------------EVDIAQIN----AEIAKVKAYFGSD---------LMSEFNYTIDD---DNLS-FEEIAGMVASSAFCEPYRFGSLTRFKFEGLQENAVLLFKHRNKVPLTEKRSYT-FGVQKDYDGVELE---------YTSDVDDARVKYII--PEDITPKNPLKITTTGIRNEAQA---------------KVRAWREWNKLRYKYMSCEVEVLDESELLI---------------------------RNDRILVANNTV----------------------VDTQDGEVEAVDGLIIQTSQECTFDVGSDYFIHLQISNATV-DVVSCTAGVDK---------YHVVLSRPPV--------------------QPLVVSEDRYVKTLYTLVRADQTEAQAFMLE---ELTPQTQMTNTLKASNYDARFYERDHDFI 5GKD Chain:A ((1-726)) ADLLVKTPEAYDQALKKAKPGDDIILANGTWRDFEVLFEAKGNENKPITLRGQTPGKVFLTGQSNLRLAGEHLIVSGLVFKDGYTPTGEVIAFRRNKDVLASHSRVTQVVIDNFSNPEKFEQDSWVMVYGRHN-RFDHNHLVGKRNKGVTMAVRLTTESSQQNHHRIDHNYFGPRPILGSNGGETLRIGTSHHSLTDSFTLVENNYFDRCNGEVEIISNKSGKNSIRNNVFFESRGTLTLRHGNGNIVENNVFFGNGVDHTGGIRVINR-DQIIRNNYLEGLTGYRFGSGLTVMNGVPNSKINRYHQVDNALIENNTLVNVEHIQFAAGSDKERSAAPINSNMNNNLIVNDQGTDGITAFDDISGIKFKDNLLNQDAKPSINK----GFEQADITMQRHDNGLLYPEAKTQQKYGVSTQLEPIGKDEVGVSWYPKVEPDVAFGSGKHIAVSPGDNTLFDAIASAETGDVLVLQAGEYWVSKILSLDKTLTIRAQEKGSAVIFPQRSTLIEINNKGNLTLDGVYVDATNAPDAAGNTLIRTTRLPMQRNYRLAIKNSTFENLDINHSYHFFDAGNRSFADYIEVQDSQFKHITGDLFRLNKE-TDDLGIYNVEYLTIENSNVSDLQGAIAKVYRGGTDESTFGPHVVMNNNIFNEVGKGKRNKSAASLILHGTQVNKMTTNEFNNSAPIIFELTVGEPKTWVTGNVFEGTPEPVVRDLFPLSG--ATTTISGNTVL

General information: TITO was launched using: RESULT: Template: 5GKD.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 : 3061 173919 56.82 362.33 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 56.82 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.164

(partial model without unconserved sides chains): PDB file : Tito_5GKD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GKD-query.scw PDB file : Tito_Scwrl_5GKD.pdb: