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 2GRX Chain:A ((42-725)) ------------------------------------------------------------PIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGT-RGASNTYDHLIIRGFAAEGQSQNNYLNGLKLQGNFYNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYF---QNEPETGY------YGWLPKEGTVEPLPNGKRLPTDFNEGA----KNNTYSRNEKMVG-YSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDP-ANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRND------INAWFGYDDSVPLLNL------------------TDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWD-KVLVTLGGRYD-WADQESLNR--------VAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEP----------------SSQVGKDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNN-LMADPEGSFFSVEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEYTTDTTYKGNTPAQ-------VPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVVATATFRF

General information: TITO was launched using: RESULT: Template: 2GRX.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 : 3824 206875 54.10 329.42 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 54.10 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.158

(partial model without unconserved sides chains): PDB file : Tito_2GRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GRX-query.scw PDB file : Tito_Scwrl_2GRX.pdb: