Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHKLGLLSSLGLSFISTLTWGEETSTVLETIRIQAESTREDVSQNSSATKFTHDVLDVPFNRAYLSKQIMEQQDVQRIDDALTLVSGVFHQNSFGGGFWDNYSFRGFSTDPNLGAAMIRNGLSVNRGI--SAPKDVVNIESLEFLKGPMAALYGRGETGGLLNLNSKKPQWESESELNLRANTQEQYHISLEHTAPINDE--LAYRLAVAHEDNQSFRDHVSSERWFFSPQLTWKISDQTQLDFDSEFTEHKGTFDRGVSTVNHQFVMDPKTFTGEPDDGDLKIKDYFYQ---------------LHLSHEFNPDWKLNSAVSYKDAKM-------VGFATEPRRM---------QAD-GRALERQRRYRDYTSEDVLAQTELLGKIDTSWARHEILLSTELGQLDYKQNQLRRNHSTSSTNTIDIYQPEYGKYLPNLTPF----TDTKERQRYFALNVQDQ--IFFNDQ--WS---VLLGNRFDQVEQDFKNHIKQTEDNQTLHQNSPRFGVNFKASDQWAFYTNYGRSFAMNSGMNRNGQTFAPEKGESYEVGTKYKINDQS-VLSLALFKMKKQNVLTTDPIDKDFQTAAGEVSSKGVEFDLNSQITDRWFINANYSYTDAQIEKDQDLAKGARLSNVPKHQGSVSTNYEFLQDGARKAGVGANLTYVGERSGHNLDNGFNLPSYTLVNLNGYYAPSDRLR-------YQLNVNNLFDKTYYVS---SYSDLWVQPCEPLNASISAQWKF 1BY3 Chain:A ((32-700)) --------------------------------------------QSATGTKTDTPIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGTRGASNTYDHLIIRGFAAEGQSQNNYL-NGLKLQGNFYNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGYYG---------WLPKEGTVEPLPNGKRLPTDFNEGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDF---------MRMRNDINAWFGYDDSVPLLNLYNPVNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWADQESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRARGVEIEAKRPLSASVNVVGSYTYTDAEYTTDTTY-KGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYG-DPANSFKVGSYTVVDALVRY---DLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFW-----------------

General information: TITO was launched using: RESULT: Template: 1BY3.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 : 3702 228176 61.64 373.45 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 61.64 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.073

(partial model without unconserved sides chains): PDB file : Tito_1BY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BY3-query.scw PDB file : Tito_Scwrl_1BY3.pdb: