Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDNLITIYDKNDANNLAEHLYDTQGLGALSDWLTATVSNKLNGAEIFQGTYSINGTNADLIVEGRIIQCYVDENRAKQRLRIYYAKTSVIGNTIEVKAEPIFNDIRKSVLNK-YDSGT-EKITATQAW-QNAKVLAKPAI---PSQFSFSS-----LVDTLANVKIEKA----NFLEFFGGKEGS----ILDRFHGEFLKDNNTLRHEKSLGTD-HKIKAIYTKNLTGL-DLEIDAQSVLVGVY-----PFISSS-SEGEDEITLPEEVIFTDYVDDYPAGYVSFVDFKDKATDVATLREAAKDWLKTNIDKQKPQVS---GSIELVPLRHQRGYEKFVDLEKVSMGDGVDVYHPQLKVNMSARIVEYTFNVLTNSYDKLVVGNVKTNFLENTENNVSNLINDAIDQLKNGGEISDLLNDIVDHQTDMITGQNGGYVLLDPKEAPSRILIMDTPDKNTARNVL-QINNAGIGFSKTGINGTYETAWTLDGGFNASFITA------GEIVGITIRGTTLISDGADYRTSIANGKM-TWYSKKVNKDIMELEARDYV-SADAGIVSYTMKTGGGFMIRNPQGNLVFSTWDNGNNRPFLSFGAPNFRYSNASYVTS--GDGSSLSINGSAGNSWEFKVAG-RTMKFTSDGMLTLPGCFFGSWEDGKLARFEQSTVQVYKDFT----VRGTKNSTVPTEHYGQRLLNAYETPEYYFADYGEAVTGDNGKVRVDIDPMFAETVNLSRYMTHVTPTE-LVLCAVTHEDIDH-FIIETSKPNVLVRWNLVAHRLGYEDIRLKEDT-AYDSTVLDQKRF 4RDR Chain:A ((32-748)) ------------------SRPRATSGL-----LHTSTASDKIISGDTLRQ----KAVNLGDALDG-----------------VPGIHASQYGGGASAPVIRGQTGRRIKVLNHHGETGDMADFSPDHAIMVDTALSQQVEILRGPVTLLYSSGNVAGLVD-VADGKIPEKMPENGVSGELGLRLSSGNLEKLTSGGINIGLGKNFVLHTEGLYRKSGDYAVPRYRNLKRLPDSHADSQTGSIGLSWVGEKGFIGVAYSDRRDQYGLPA------HSHEYDDCHADII-WQKSLINKRYLQLYPHLLTEEDIDYDNPGLSCGHSGRPWIDLRNKR-YELRAEWKQPFPG------FEALRVHLNRNDYRHDEKA----------GDAVENFFNNQTQNARIELRH--------------------QPIGRLKGSWGVQYLQQKSSALSAI--------SEAVKQPMLLDNKVQHYSFFGVEQANWDNFTLEGGVRVEKQKASIQYDKALIDRENYYNHPLPDLGAHRQTARSFALSGNWYFTPQHKLSLTASHQERLPSTQELYAHGKHVATNTFEV----GNKHLNKERSNNIELALGYEGDRWQYNLALYRNRFGNYIYAQTLNDGRGPKSIEDDSEMKLVRYNQSGADFYGAEGEIYFKPTPRYRIGVSGDYVRGRLKNLPSLPGREDAYGNRPFIAQDDQNAPRVPAARLGFHLKASLTDRIDANLDYYRVFAQN-KLARYETRTPGHHMLNLGANYRRNTRYGEWNWYVKADNLLNQSVYAHSSFLSDTP----QMGRSFTGGVNVKF

General information: TITO was launched using: RESULT: Template: 4RDR.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 : 4019 201671 50.18 306.96 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 50.18 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.065

(partial model without unconserved sides chains): PDB file : Tito_4RDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RDR-query.scw PDB file : Tito_Scwrl_4RDR.pdb: