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:B ((4-134)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RRGDFVRNWQLVAAVPLFQKLG--PAVLVEIVRALRARTVPAGAVICRIGEPGDRMFFVVEGSVSVATPNPV--ELGPGAFFGEMALISGEPRSATVSAATTVSLLSLHSADFQMLCSSSP---EIAEIFRKTALERR-------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3CL1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -61999 for 901 contacts (-68.8/contact) +
2D Compatibility (PS) -12975 + (NN) 1353 + (LL) 25496
1D Compatibility (HY) -7600 + (ID) 2100
Total energy: -57825.0 ( -64.18 by residue)
QMean score : 0.399
|
|
|