Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRPGKKSSSNKSRVMKNKYAHRSWLGAVCLLGCSLSYAAEEQFNDALNAANSGNTALLDQYQLAMQNDVLGYYPEYWKLNTNLGFQ-SPTSIVSFAQRYPQSAMAEKLAADYV---EEKVKQADFASAQPILPYVSNPDQAENCALAQVRAKSGD-ALVFAEYKDVWLATESQPESCIGLGRMMLSSPLMSTQDKQQRLWVQLRAGLSGQALATAQTLG--LNLSLAQLNQIQANPLN---YLWSAPK--TNDVDYAYLIFALGRLANNDLGNAFANVQRVAQ---GTPESVQKYLYRTVAY-IGGTTVMKNNFNREVLQYFDASYGYPLS-PEEAEIYARQAIRFSAWESLIRAIDSMSVSQKQEDRWQYWLARATEQRGDSNSKNTAQCIYKKLAESGDDYHNLLAKDRLGVRYNHQPYNDEPTASDLRRLDQNIHFNRAFTLRRINVNPTYTNREWNWAVRQAYLQ-HDDGLLLAAAKRAHDMGWYDRAIYAADRTTNKHNDTYRYVTPHKTNVVSHSYNAGIDPAWAYGLMRQESRFVTSARSHVGAGGLMQIMPDTAKLIARQMGETY--NPAALSEMNTNIRYGTFYLSMIQGQLSNNPVLATAGYNAGPNRARRWQPDY-QPIEADQYTETIPLLETRDYVKHVMTNATHYGVILGQGAQSLIQRMKVIPTRSSP 1QSA Chain:A ((5-606)) -------------------------------------EQRSRYAQIKQAWDNRQMDVVEQMMPGL----KDYPLYPYLEYRQITDDLMNQPAVTVTNFVRANPTLPPARTLQSRFVNELARREDWRGLLAFSPE-KPGTTEAQCNYYYAKWNTGQSEEAWQGAKELWLTGKSQPNACDKLFSVWRASGKQDPLAYLERIRLAMKAGNTGLVTVLAGQMPADYQTIASAIISLANNPNTVLTFARTTGATDFTR---QMAAVAFASVARQDAENARLMIPSLAQAQQLNEDQI-----QELRDIVAWR-LMG-NDVTDEQAKWRDDAIMRSQSTSLIERRVRMALGTGDRRGLNTWLARLPMEAKEKDEWRYWQADLLLERGRE---AEAKEILHQLMQ-QRGFYPMVAAQRIGEEYELKIDKA--PQNVDSALTQGPEMARVRELMYWN-LDNTARSEWANLVK----SKSKT-EQAQLARYAFNNQWWDLSVQATIAGKLWDHLEERFPLAYNDLFKRYTSGKEIPQSYAMAIARQESAWNPKVKSPVGASGLMQIMPGTATHTVKMFSIPGYSSPGQLLDPETNINIGTSYLQYVYQQFGNNRIFSSAAYNAGPGRVRTWLGNSAGRIDAVAFVESIPFSETRGYVKNVLAYDAYYRYFMG-DKP---------------

General information: TITO was launched using: RESULT: Template: 1QSA.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 : 2656 60108 22.63 103.46 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 22.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_1QSA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QSA-query.scw PDB file : Tito_Scwrl_1QSA.pdb: