Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPSSKRHAYEPLPQQQQQQHPTNPPPAYQHHRVSTGTGRESPALPQLSPNSMSAVTNIAEPSSSPALISTSAASSNLVPIFQGREDSAAASRRGGDGNSEVHPHPAEVSETYPGASTAAAQSMALAVVPFTGTSGVGVGVSAPQRCDPRVGGADQEGKNTGVGGDDVGYYSGPSPYGKLAPLSLSTERVCPHCLRPYDVFDDGEGVFDPATFFRVDATTRSSSIQPSPSHPKLLPPPSHEGDEQQKQQPSTSPRLYTEGAGDGGAAAGQLLCSRSSTAAGLDDSSSDGTNRSGNYITAVHPPAAAFTSHYFRALPPPSFIIAAGARGASAPLAIEDYRPSPLIGSPRDEKVEARQPFALAPALASDNGGGGGNSSGTLVCKVAAVPHYSYVWPITCTGMRSQVRLLQQGDSSEKTAAEMEGGKEE-----SPSCESGSPVCSPTAATPSPNNGYYRHYFKELRQLGRGTYGGVYLCRHVMCGVNLGEFALKKIPVGDKVTY--LQSVLREVRILEEVRRHPNVVEYKHSWVEEAQLADFGPPVRCLFILMEYASAGSLDTYLERYGNN-LSTLAVWYFFLSSVAGTAHLHEKHILHRDLKPQNLLLAATKDRPPRVLVSDFGTAALLDDILYDRSGGTGTLEYMAPELLETTASPRGANERYVNHHTMASDVWSLGMVLHYLAFDGALPERHEDGSVNLDKARHSANARP--------PEMLRLLEAMLQLDPAKRPRCCDILASPMVQSIMRIFNKDDHSQWDLSIQRQQQLSATSPSAILPLERPPRPPVPAPAPRSAPLNALEAHSIDDSSSPRGARSRNAIAAISTSSQGRGVRADSTNLEDKSNTLQSSRVELLSASTLVDLSTAMARAGSSSSSNGSPLAMKLPPPRPSTVISQHGRQQQQRAHVVAGLPKTLASSNTFQFSDSPSPRRVNVGVQTNPVVIVEKQQRHA 2ACX Chain:A ((14-532)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KARKGKSKKWRQMLQFPHISQCEELRLSLERD--YHSLCERNPIGRLLFREFCAT------RPELSRCVAFLDGVAEYEVTPDDKRKACGRNLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATG---KMYACKKLEKKRIKKRKGEAMALNEKQILEKVN-SRFVVSLAYAYETK----------DALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILL----DDHGHIRISDLGLAVHVPE-GQTIKGRVGTVGYMAPEVVK--------NERY----TFSPDWWALGCLLYEMIA-GQSPFQQRKKKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKE--HPLFKKLNFKRLGAGMLEPPFKPDPQAIYCEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGS-------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ACX.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 : 2323 -4689 -2.02 -9.79 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -2.02 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_2ACX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ACX-query.scw PDB file : Tito_Scwrl_2ACX.pdb: