Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPYASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLL-SAIPLPDPDHERKRRRIKYQPEPDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN 3DHW Chain:C ((1-270)) ----MIKLSNITKVFHQGTRT-IQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESE-LTKARRQIGMIFQ--HFNLLSSRTVFGNVALPLELDNTPK--DEVKRRVTELLSLVGLGDKHDS-YPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQER----LQAEPFTDCVPMLR---------------------------------

General information: TITO was launched using: RESULT: Template: 3DHW.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 : 1285 -172872 -134.53 -642.65 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.79 3D Compatibility (PKB) : -134.53 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_3DHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DHW-query.scw PDB file : Tito_Scwrl_3DHW.pdb: