Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRPGKKSSSNKSRVMKNKYAHRSWLGAVCLLGCSLSYAAEEQFNDALNAANSGNTALLDQYQLAMQNDVLGYYPEYWKLNTNLGFQSPTSIVSFAQRYPQSAMAEKLAADYVEEKVKQADFASAQPILPYVSNPDQAENCALAQVRAKSGDAL-VFAEYKDVWLATESQPESCIGLGRMMLSSPLMSTQDKQQRLWVQLRAG-------LSGQALATAQTLGLNLSLAQLNQIQANPLNYLWSAPKTNDVDYAYLI--FALGRLANNDLGNAFANVQRVAQGTPESVQKYLYRTVAYIGGTTVMKNNFNREVLQYFDASYGYPLSPEEAEIYARQAIRFSAWESLIRAIDSMSVSQKQEDRWQYWLARATEQRGDSNSKNTAQCIYKKLAESGDDYHNLLAKDRLGVRYNHQPYNDEPTASDLRRLDQNIHFNRAFTLRRINVNPTYTNREWNWAVRQAYLQHDDGLLLAAAKRAHDMGWYDRAIYAADRTTNKHNDTYRYVTPHKTNVVSHSYNAG--IDPAWAYGLMRQESRFVTSARSHVGAGGLMQIMPDTAKLIARQMGET--YNPAALSEMNTNIRYGTFYLSMIQGQLSNNPVLATAGYNAGPNRARRWQPDYQP-IEADQYTETIPLLETRDYVKHVMTNATHYGVILGQGAQSLIQRMKVIPTRSSP 1QTE Chain:A ((24-603)) --------------------------------------------------------VVEQMMPGLKDYPLYPYLEYRQITDDLMNQPAVTVTNFVRANPTLPPARTLQSRFVNELARREDWRGLLAFSPEKPGTTEAQ-CNYYYAKWNTGQSEEAWQGAKELWLTGKSQPNACDKLFSVWRASGKQDPLAYLERIRLAMKAGNTGLVTVLAGQMPADYQTIA-----SAIISLANNPNTVLTFARTTGATDFTRQMAAVAFASVARQDAENARLMIPSLAQA--QQLNEDQIQELRDIVAWRLMGNDVTDEQAKWRDDAIMRSQSTSLIERRVRMALGTGDRRGLNTWLARLPMEAKEKDEWRYWQADLLLERG--REAEAKEILHQLMQQRG--FYPMVAAQRIGEEYELK-IDKAPQNVD-SALTQGPEMARVRELMYWNLDNT-ARSEWANLVKSKSKTEQAQL----ARYAFNNQWWDLSVQAT--IAGKLWDHLEERFPLAYNDLFKRYTSGKEIPQSYAMAIARQESAWNPKVKSPVGASGLMQIMPGTATHTVKMFSIPGYSSPGQLLDPETNINIGTSYLQYVYQQFGNNRIFSSAAYNAGPGRVRTWLGNSAGRIDAVAFVESIPFSETRGYVKNVLAYDAYYRYFMG-------------------

General information: TITO was launched using: RESULT: Template: 1QTE.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 : 2581 82334 31.90 145.72 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 31.90 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_1QTE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QTE-query.scw PDB file : Tito_Scwrl_1QTE.pdb: