Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRDVNKIILHKKDSILKALELLDLYALRIVLVVDDHNHLIGSITDGDIRRGLLKGQDVHASVETIMHTTPYSIEEGSLNNRQIFEIMREKSYLALPVIKNNQLVNIITLDDLIRKKRKENPVFIMAGGFGTRLRPLTDTCPKPMLPVGGKPLLETIISSFKNQGFYKFYISTHYLPEVINEYFGDGE-------------------KLGVQIQYVHETDPLGTGGALSLLPASDI-KLPFIVINGDVLTNM--------NFEKLLEFHEKRDAIATMCVREFQYQIPYGVVNSED--------HVIQSMTEKPSY----FFDINTGIYVISPELLPEVN-AQFIGMPTILEQQMEKQNKVLSYPLHEYWLDIGHMEDYNRAQRDIINLDFGKF 2E3D Chain:B ((6-282)) ---------------------------------------------------------------------------------------------------------------------TKVKKAVIPVAGLGTRMLPATKAIPKEMLPLVDKPLIQYVVNECIAAGITEIVLVTHSSKNSIENHFDTSFELEAMLEKRQLLDEVQSICPPHVTIMQVRQG--KGLGHAVLCAHP-VVGDEPVAVILPDVILDEYESDLSQDNLAEMIRRFDETGH-SQIMVEPVADVTAYGVVDCKGVELAPGESVPMVGVVEKPKADVAPSNLAIVGRYVLSADIWPLLAKT---QLTDAIDMLIEKE-TVEAYHMKGKSHDCGNKLGYMQAFVEYGIR-----

General information: TITO was launched using: RESULT: Template: 2E3D.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1029 -34281 -33.31 -153.73 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -33.31 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_2E3D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2E3D-query.scw PDB file : Tito_Scwrl_2E3D.pdb: