Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLIRTRKKIVSSAIASSLSMIATTAMAQEAVSQLPTIHTKATQEESLKVDQSANSKFVAPLKDTPKSVSILSQKLIKDTNSNTLLEALRYEPGITLGAGEGGTPFTDMPYIRGYS--GQS-SIYVDGVRNTTSQNRDM----FAIEQVEVIKGSSSALGGGGSVGGSINLIPKVAHEGDVYQGSVQSGTDNYRHIQLDANKDFGNGIAGRVVIMGHENEKAGQSNGAEYKRVGIAPSITFGLDTATRGTLSYYYLRSNDEPDAGIPFNNANPAKPPVGVTVTP---GGGKPVDVKAGTYYGWKARDFDKRENHIGTFKLEHDFNENLTLSNIATYNKSK----SDYVYTNADDSKGNIYRGTVARRA-------LSR--ILDTDA---YSDQLSLRGKFNTGSLKHSFNVGTEWSFQETDQGVHTFTNAAGETTSTILDSNIQNCTSAAAVANGWCTSLNNPGNGAFTDKRGSITAQSTTRSHNVGIYALDSIEFNPQWLLNLGVRWDKFETEKKYNKDVDGRTPHKAGDKLESDTDYFSYQAGLVFKPTEDGSIYLSYATSANPVGVLAEGDTGSDSISDSGTASASANALKPEEARTFELGTKWDLFNNRANLTAAVFRTEKQNTRIQIDPN---TTANAGKSKVDGFEISLNGKITDKWDVSTGYSYLDSE-ITEAAY--NAVAQEGKPLPFVAKNSATLWSTYRV----MPQLTLGAGVEYRDQVFVNTTAPKYLPTYTIYNAVAKYDVNK----NVNLQLNINNISDKRYFTSAHAAHYAFEGNGRNAVLAINFKY 1QJQ Chain:A ((42-725)) ------------------------------------------------------------PIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGT-RGASNTYDHLIIRGFAAEGQSQNNYLNGLKLQGNFYNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYF---QNEPETGY------YGWLPKEGTVEPLPNGKRLPTDFNEGA----KNNTYSRNEKMVG-YSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDP-ANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRND------INAWFGYDDSVPLLNLYNPSSHHHHHH--GSSVNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWD-KVLVTLGGRYD-WADQESLNR--------VAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEP----------------SSQVGKDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNN-LMADPEGSFFSVEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEYTTDTTYKGNTPAQ-------VPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVVATATFRF

General information: TITO was launched using: RESULT: Template: 1QJQ.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 : 3929 222072 56.52 344.83 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 56.52 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_1QJQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QJQ-query.scw PDB file : Tito_Scwrl_1QJQ.pdb: