Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKQRILIVGAGFAGMWSALSAVRQLDRQGRDDVEVAVLAPQPELRIRPRFYEPDVQR-----MAAPLGELFAAVGVRFVQGSAQRIDVAGKRVEYRDAEGTLAQLDYDRLVLAAGSGVWRPASVAGID-A---AFDVDQLEDALRLEAHLHALRDLPDSPARNTVVVAGGGFT------GIETATEMPARLRAILGEK-AALRVIVVDRGAAIGA---SMGADLSGLIAEASAELGVEWCLGRSVAAVDAEGVT----LDDGQRIEAKTVVWTVGV-----RASTLTGQ-IPGERDAQGRLHVDRNLKVLGLDDVYATGDVARAATDDLG---NHALMTCQHAIALGRSAGNNVAADLLGVEPIPYS-QVKYVTCLDLGGWGAVFTE-GWD----RQVRFVREEGKKIKTEINGVWIYPPAADRA-VALAAADPLIPVVA |
3SX6 Chain:A ((3-420)) | GSAHVVILGAGTGGMPAAYEMKEALG----SGHEVTLISANDYFQFVPSNPWVGVGWKERDDIAFPIRHYVERKGIHFIAQSAEQIDAEAQNITLAD----GNTVHYDYLMIATGPKLAFE-NVPGSDPHEGPVQSICTVDHAERAFAEYQALL------REPGPIVIGAMAGASCFGPAYEYAMIVASDLKKR-GMRDKIPSFTFITSEPYIGHLGIQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVDEKGETIKEMVLPVKFGMMIPAFKGVPAVAGVEGL-CNPGGFVLVDEHQRSKKYANIFAAGIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQTMGTWNAVAFADMGDRGAAFIALPQLKPRKVDVFAYGRWVHLAKVAFEKYFIRKMKMGVSEPFYEKVLFK----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SX6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -232454 for 3121 contacts (-74.5/contact) +
2D Compatibility (PS) -41284 + (NN) -13106 + (LL) 1008
1D Compatibility (HY) -9200 + (ID) 3700
Total energy: -298736.0 ( -95.72 by residue)
QMean score : 0.405
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