Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDMTKIALLSDIHGNTTALEAVLADARQLGVDEYWLLGDILMPGTGRRRILDLLDQLPITARVLGNWEDSLWHGV-RKELDSTRPSQRYLLRQCQYVLEEISLEEIEVLHNQPLQIHRQFGDLTV--GISHHLPDKNWGRELIHTGKQEEFDRLVTHPPCDIAVYGHIHQQL--------------------LRYGTGGQLIVNPGSIGQPFFLDAQLRKDLRAQYMILEFDDKGLVDMDFRRVDYDVAAELQLAKDLRLPYFEVYYESLVNGIHHTHHQEFLRELAQKEGCDRELDDWLKSGND 3RQZ Chain:A ((2-240)) -NAMRILIISDVHANLVALEAVLSDAGR--VDDIWSLGDIVGYGPRPRECVELVRVLAPNISVIGNHD---WACIGRLSLD--NPVARFASYWTTMQLQAEHLQYLESLPNRMID-----GDWTVVHGSPRH---PIW--EYIYNARIAALNFPAFDTP--LCFVGHTHVPLYIREDEALSNVAPHHPNDGEVLDVSSGRYIINPGAVGQP------RDGDPRASYAIFEPDAQRVT---FHRVEYRIADTQAQMREAGLP------ESLVT---------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1267 -42615 -33.63 -199.14 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -33.63 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.498

(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: