Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDMTKIALLSDIHGNTTALEAVLADARQLGVDEYWLLGDILMPGTGRRRILDLLDQLPITARVLGNWEDSLWHGVRKELDSTRPSQRYLLRQCQYVLEEISLEEIEVLHNQPLQIHRQFGDLTVGISHHLPDKNWGRELIHTGKQEEFDRLVTHPPCDIAVYGHIHQQLLRYG--------------------TGGQLIVNPGSIGQPFFLDAQLRKDLRAQYMILEFDDKGLVDMDFRRVDYDVAAELQLAKDLRLPYFEVYYESLVNGIHHTHHQEFLRELAQKEGCDRELDDWLKSGND 3RQZ Chain:C ((2-245)) -NAMRILIISDVHANLVALEAVLSDAG--RVDDIWSLGDIVGYGPRPRECVELVRVLAPNISVIGNHDWACIGRLSLD-EF-NPV---ARFASYWTTMQLQAEHLQYLESLPNRMI----DGDWTVVHGSPRHPIWEYI---YNARIAALNFPAFDTPLCFVGHTHVPLYIREDEALSNVAPHHPNDGEVLDVSSGRYIINPGAVGQPRDG------DPRASYAIFEPDAQ---RVTFHRVEYRIADTQAQMREAGLP--ESLVTRLAAG--------------------------------

General information: TITO was launched using: RESULT: Template: 3RQZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1335 -91592 -68.61 -408.89 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -68.61 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3RQZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RQZ-query.scw PDB file : Tito_Scwrl_3RQZ.pdb: