Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIIERFTTYVKVDTQSDESVDTCPSTPGQLTLGNMLVDELKSIGMQDAAID-----ENGYVMATLPSNTEKDVPTIGFLAHVDTATDFTGKNVNPQIIESYDGKDIVLNEQLQVTLSPDQFPELSGYKGHTLITTDGTTLLGADNKAGIAEIMTAMDYLIKHPEIKHGTIRVAFTPDEEIGR-GPHKFDVKRF-NASFAYTVDGGPL--GELEYESFNAAAAKITIKGNNVHPGTAKGKMINSAKIAMKLNSLLPADEAPEYTEGYEGFYHLLSIQGD------VEETKLHYIIRDFDKENFQNRKETMKRAVEELQNEYGQDRILLDMNDQYYNMREKIEPVIEIVNIAKQAMENLGIE-PKISPIRGGTDGSQLSYMGLPTP-NIFTGGENFHG-KFEYISVDNMVKAVNVIVEIAKQFEAQA 1CG2 Chain:A ((18-392)) -QPAVIKTLEKLVNIETGTGDA-------EGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGR---GGKNLLLMSHMDTVYLK--GILA---KAPFR---VE----------------------GDKAYGPG----IADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKA----KNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKL-P-EADVKVIVTRGRPAFNAG-EGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAG-

General information: TITO was launched using: RESULT: Template: 1CG2.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 : 1994 96968 48.63 271.62 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 48.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_1CG2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CG2-query.scw PDB file : Tito_Scwrl_1CG2.pdb: