Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHKLGLLSSLGLSFISTLTWGEETSTVLETIRIQAESTREDVSQNSSATKFTHDVLDVPFNRAYLSKQIMEQQDVQRIDDALTLVSGVFHQNSFGGGFWDNYSFRGFSTDP--NLGAAMIRNGLSVNRG--ISAPKDVVNIESLEFLKGPMAALYGRGETGGLLNLNSKKPQWESESELNLRANTQEQYHISLEHTAPIN--DELAYRLAVAHEDNQSFRDHVSSERWFFSPQLTWKISDQTQLDFDSEFTEHKGTFDRGVSTVNHQ---F----VMDPKTFTGEPDDGDLKIKDYFYQLHLSHEFNPDWKLNSAVSYKDAKMVGFATEPRRM--QAD---------------GRALERQRRYRDYTSEDVLAQTELLGKIDTSW-ARHEILLSTELGQLDYKQNQLRRNHSTSS-TNTIDIYQ---PEYGKYLPNLTPFTDT-KERQRYFALNVQDQIFFNDQWSVLLGNRFDQVEQDFK-NHIKQTED-NQTLHQNSPRFGVNFKASDQWAFYTNYGRSFAMNSGMNR-NGQTFAPEKGESYEVGTKYKIN-DQSVLSLALFKMKKQNVLTTDPIDKDFQTAAGEVSSKGVEFDLNSQITDRWFINANYSYTDAQIEKDQDLAKGARLSNVPKHQGSVSTNYEFLQDGARKAGVGANLTYVGERSGHNLDNGFNLPSYTLVNLNGYYAPS----DRLRYQLNVNNLFDKTYYVSSYSDLWVQPCEPLNASISAQWKF 4CU4 Chain:A ((7-706)) -------------------------ATIAARQSATG-------------TKTDTPIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGTRGASNTYDHLIIRGFAAEGQSQ---NNYLNGLKLQGNFYNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGYYGWLPKEGTVEPLPNGKRLPTDFNEGAK-NNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKF-ATGDIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYN---NTDFDFNAKDPANSGP-YRILNKQKQTGVYVQDQAQW-DKVLVTLGGRYDWADQESLNRV--AGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKDGNI-FAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRARGVEIEAKAALSASVNVVGSYTYTDAEYTTDTT-YKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPA-NSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASCFNTYGCFWGAERQVVATATFRF

General information: TITO was launched using: RESULT: Template: 4CU4.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 : 3990 215627 54.04 335.35 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 54.04 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.108

(partial model without unconserved sides chains): PDB file : Tito_4CU4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CU4-query.scw PDB file : Tito_Scwrl_4CU4.pdb: