Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------MSMPAAETQPKKKRMTFKMPDAYVLLFMIAFICAIASYIVPAGEFDRVTKGDVTTAVPGSYHSIEQSPVRLISFFTSLQDGMVGSAPIIFLILFTGGTIAILEKTGAINGLIYNVISKFR-TKQLLFICIVGALFSILGT-TGIVVN------------SVIGFIPIGLIVARSLKW------------DAVAGAAVIYIGCYAGFNSTILSPSPLG---LSQSIAELPLFSGIGLRVVIYICFLL---------SSIIYIYLYTR----KLKKSKDASVL--GTDWFPAAGMGEAGKEEDQ-----------------SVPFTVRHK------------------------LILAVAG----LSLVGFLYGALKLGWSDSQMAATFIF--------------------ISVLAGLIGGL------------AANDIAKTFITGCQSLVYGALI---VGMARSISVILENGKLLDTVVNALASLLDGFSPIAGAIGM------------YIASALLHFLISSGSGEAVV-FIPILAPLADLMGITRQVAVEAVMLGEGVVNCVNPTSGVLMAVLAASGIPYVKWLRFMVPLALIWFLIGLVFIVIGVMINWGPF 4R3Z Chain:B ((2-660)) DVLVSECSARLLQQEEEIKSLTAEIDRLKNCGCLGASPNLEQLQEENLKLKYRLNILRKSLQAERNKPTKNMINIISRLQEVFGHAIKAAYPDLENPPLLVTPS--QQAKFGDYQC--NSAMGISQMLKTKEQKVNPREIAENITKHLPDNECIEKVEIAGPGFINVHLRKDFVSEQLTSLLVNGVQLPALGENKKVIVDFSSPNIAKEMHVGHLRSTIIGESISRLFEFAGYDVLRLNHVGDWGTQFGMLIAHLQDKFPDYLTVSPPIGDLQVFYKESKKRFDTEEEFKKRAYQCVVLLQGKNPDITKAWKLICDVSRQELNKIYDALDVSLIERGESFYQDRMNDIVKEFEDRGFVQVDDGRKIVFVPGCSIPLTIVKSDGGYTYDTSDLAAIKQRLFEEKADMIIYVVDNGQSVHFQTIFAAAQMIGWYDPKVTRVFHAGFGVVLGEDKKKFKTRSGETVRLMDLLGEGLKRSMDKLKEKERDKVLTAEELNAAQTSVAYGCIKYADLSHNRLNDYIFSFDKMLDDRGNTAAYLLYAFTRIRSIARLANIDEEMLQKAARETKILLDHEKEWKLGRCILRFPEILQKILDDLFLHTLCDY-IYELATAFTEFYDSCYCVEKDRQTGKILKVNMWRMLLCEAVAAVMAKGFDILGIKPVQRM---

General information: TITO was launched using: RESULT: Template: 4R3Z.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 : 1771 -305652 -172.59 -651.71 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -172.59 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_4R3Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R3Z-query.scw PDB file : Tito_Scwrl_4R3Z.pdb: