Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------MELKKSPDGGWGWVIV------FVSFLT-----QFLCYGSPLAVGVL------YIEWLDAFGEGKGK-TAWV--------GSLASGVGLLASPVCSLCVSSFGARPVTIF----------------SGFMVAGGLM--LSSFAPNI----YFLFFSYGIVVG--------------LGCGLLYTATVTITCQYFDDRRGLALGLISTGSSVGL----------FIYAALQRMLVEFYGLDGCLLIVGALALNI----LACGSLMRPLQSSDCPLPKKIAPEDLP-------------DKYSIYNEKGKNLEENINILDKSYSSEEKCR-ITLANGDWKQDSLLHKNPTVTHTKEPETYK--KKVAEQTYFCKQLAKRKWQLYKNYCGETVALFKNKV-FSALFIAILLFDIGGFPPSLLMEDVARS---------------SNVKEEEFIMPLISII---GIMTAVGKLLLG-------------ILADFK---WINTLYLYVATL--IIMGLALCA---------------IPFAKSYVTLALLSGILGFLT-GNWSIFP---YVTTKTVGIEKL---AHAYGILMFF------------AGLGNSLGPPIVGWFYDWTQTYDI------AFY---FSGFC-VLLGGFILLLAALPSWDTCNKQ-------------LPKPAPT-TFLYKVASNV-- |
4RDR Chain:A ((32-748)) | SRPRATSGLLHTSTASDKIISGDTLRQKAVNLGDALDGVPGIHASQYGGGASAPVIRGQTGRRIKVLNHHGE-TGDMADFSPDHAIMVDTALSQQVEILRGPVTLLYSSGNVAGLVDVADGKIPEKMPENGVSGELGLRLSSGNLEKLTSGGINIGLGKNFVLHTEGLYRKSGDYAVPRYRNLKRLPDSHADSQTGSIGLSWVGEKGFIGVAYSDRRDQYGLPAHSHEYDDCHADIIWQKSLINKRYLQLYPHLLTEEDIDYDNPGLSCGHSGRPWIDLRNKRYELRAEWKQPFPGFEALRVHLNRNDYRHDEKAGDAVENFFNNQTQNARIELRHQPIGRLKGSWGVQYLQQKSSALSAISEAVKQPMLLDNKVQHYSFFGVEQANWDNFTLEGGVRVEKQKASIQYDKALIDRENYYNHPLPDLGAHRQTARSFALSGNWYFTPQHKLSLTASHQERLPSTQELYAHGKHVATNTFEVGNKHLNKERSNNIELALGYEGDRWQYNLALYRNRFGNYIYAQTLNDGRGPKSIEDDSEMKLVRYNQSGADFYGAEGEIYFKPTPRYRIGVSGDYVRGRLKNLPSLPGREDAYGNRPFIAQDDQNAPRVPAARLGFHLKASLTDRIDANLDYYRVFAQNKLARYETRTPGHHMLNLGANYRRNTRYGEWNWYVKADNLLNQSVYAHSSFLSDTPQMGRSFTGGVNVKF |
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General information:
TITO was launched using:
| RESULT:
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Template: 4RDR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199107 for 3432 contacts (-58.0/contact) +
2D Compatibility (PS) -51676 + (NN) 24504 + (LL) -172
1D Compatibility (HY) 39600 + (ID) 1700
Total energy: -188551.0 ( -54.94 by residue)
QMean score : -0.065
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