Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLIRTRKKIVSSAIASSLSMIATTAMAQEAVSQLPTIHTKATQEESLKVDQSANSKFVAPLKDTPKSVSILSQKLIKDTNSNTLLEALRYEPGITLGAGEGGTPFTDMPYIRGYSGQSSIYVDGVRNTTSQ---NRDMFAIEQVEVIKGSSSALGGGGSVGGSINLIPKVAHEGDVYQGSVQSGTDNYRHIQLDANKDFGNGIAGRVVIMGHENEKAGQSNGAEYKRVGIAPSITFGLDTATRGTLSYYYLRSNDEPDAGIPFNNANPAKPPVGVTVTPGGGKPVDVKAGTYYGWKARDFDKRENHIGTFKLEHDFNENLTLSNIATYNKSKSDYVYTN-------ADDSKGNIYRGTVARRALSRILDTDAYSDQLSLRGKFNTGSLKHSFNVGTEWSFQETDQGVHTFTNAAGETTSTILDSNIQNCTSAAAVANGWCTSLNNPGNGAFTDKRGSITAQSTTRSHNVGIYALDSIEFNPQWLLNLGVRWDKFETEKKYNKDVDGRTPHKAGDK-LESDTDYFSYQAGLVFKPTEDGSIYLSYATSANPVGVLAEGDTGSDSISDSGTASASANALKPEEARTFELGTKWDLFNNRANLTAAVFRTEKQNTRIQIDPNTTAN---AGKSKVDGFEISLNGKITDKWDVSTGYSYLDSEITEAAYNAVAQEGKPLPFVAKNSATLWSTYRVMPQ-----LTLGAGVEYRDQVFVNTTAPKYLPTYTIYNAVAKYDVN------KNVNLQLNINNISDKRYFTSAHAAHYAFEGNGRNAVLAINFKY 3QLB Chain:A ((92-748)) -------------------------------------------------------TKTDASLSEIPQSISVITRDQMDAQQVQSVNEALRYTAGVQANTTAASQRF-DTLSIRGFDVTTGMLRDGLKGNTAQAWPKVEAYGLERIDVLKGPASVLFGQNSPGGVVNQISKRPLDKPFHEVQIQGGSFDRAQGQFDFSGPLDDEGQFLYRLVGLERDSGTQFDHIKDDKQYFAPSFTWKPNDDTSLTLLADYTQDT--------FGAPRVFLPAQGTLLGNPNGK---VRHNVFLDEPGLDNDRTQYSLG-YLLEHRLNDVWSLNSSARYGHVN---LLTNTASGMSLAPDLR------TLNRAAYRFRIVGDTYSLDNNAQARWNLGSTQMVSLLGIDYRRTREDYYLR------GGSASPI---DIYNPVHHHH---G----VFDPST-PFTN--------TVQRADQVGVYAQQQFTFDEHWVLTVGGRQDR----------SSARTDNRMNDSGSKQDDEKFTYRTGLVYLADNGLAPYISYSTSFDP--VLGTNFYGT--------------PYKPTSAKQSEVGVKYQPPGIDSYITLSLFDLTQENV-LTTDPAQRLNKIQTGEINVRGIELEGKASLARGLDLLAALTYNDAEVSKS--NNPLEKGKRPTDTPEKMASLWADY-TLPEGPLSGLGFGAGVRYIGSTEADAANTQRVPSYTLLDAAVHYDFDKLIPAAKGLRLAVNATNLTDKHYYEGCSLTNCS-AGYDRSVIASLRYRW

General information: TITO was launched using: RESULT: Template: 3QLB.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 : 3751 184288 49.13 292.98 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 49.13 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_3QLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QLB-query.scw PDB file : Tito_Scwrl_3QLB.pdb: