Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTPVTTFPLVDAILAGRDRNLDGVILIAAQHLLQTTHAMLRSLFRVGLDPRNVAVIGKCYSTHPGVVDAMRADGIYVDDCSDAYAPHESFDTQYTRHVERFFAESWARLTAGRTARVVLLDDGGSLLAVAGAMLDASADVIGIEQTSAGYAKIVGCALGFPVINIARSSAKLLYESPIIAARVTQTAFERTAGIDSSAAILITGAGAIGTALADVLRPLHDRVDVYDTRSGCMTPIDLPNAIGGYDVIIGATGATSVPASMHELLRPGVLLMSASSSDREFDAVALRRRTTPNPDCHADLRVADGSVDATLLNSGFPVNFDGSPMCGDASMALTMALLAAAVLYASVAVADEMSSDHPHLGLIDQGDIVASF-LNIDVPL-QALSRLPLLSIDGYRRLQVRS---GYTLFRQGERADHFFVIESGELEALVDGKVILRLGAGDHFGEACLLGGMRRIATVRACEPSVLWELDGKAFGDALHGDAAMREIAYGVARTRLMHAGASESLMV |
| 3CL1 Chain:A ((5-134)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RGDFVRNWQLVAAVPLFQKLG--PAVLVEIVRALRARTVPAGAVICRIGEPGDRMFFVVEGSVSVATPNPV--ELGPGAFFGEMALISGEPRSATVSAATTVSLLSLHSADFQMLCSSSP---EIAEIFRKTALERR-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CL1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -58860 for 903 contacts (-65.2/contact) +
2D Compatibility (PS) -13008 + (NN) -445 + (LL) 25420
1D Compatibility (HY) -7600 + (ID) 2100
Total energy: -56593.0 ( -62.67 by residue)
QMean score : 0.436
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