Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKHYQIVIIGGGTAGVTVASRLLRKNQN-LKEKIAIIDPADHHYYQPLWTLVGAGVSSLKSSRKDMESVIP-EGANWIKQAVSSFQPENNSVILGDNTVVYYDFLVVAPGLQINWSSIKGLKENIGKNGVCSNYSPDYVNETWNQISNFKQGNAIFTHPNTPIKCGGA--------PMKIMYLAEDYFRKHKIRSN-ANVIYATPKDALFD-----VGKYNKELERIVEERNITVNYNYNLVEIDGDKKVATFEHIKAYDRKTISYDMLHVTPPM-----GPLDVVKE-STLSDSEGWVDVNPTTLQHKSYSNVFALGDASNVP----------TSKTGAAIRKQAPIVANNLLQVMNNQMLTHHY-DGYTSCPIVTGYNRLILAEFDYNKNTKETMPFNQAKERRSMYIFKKDLLPKMYWYGMLKGLI |
3SX6 Chain:A ((1-404)) | MRGSAHVVILGAGTGGMPAAYEMK--EALGSGHEVTLISANDYFQFVPSNPWVGVGWKERDDIAFPIRHYVERKGIHFIAQSAEQIDAEAQNITLADGNTVHYDYLMIATGPKLAFENVPGSDPHE--GPVQSICTVDHAERAFAEYQALLR-------EPGPIVIGAMAGASCFGPAYEYAMIVASDLKKRGMRDKIPSFTFITSEPYIGHLGIQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVD---EKGETIKEMVLPVKFGMMIPAFKGVPAVAGVEGLCNPGGFVLVDE-HQRSKKYANIFAAGIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQTMGTWNAVAFADMGDRGAAFIALPQLKPRKVD----VFAYGRWVHLAKVAFEK--YFIRK----- |
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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) -167356 for 3087 contacts (-54.2/contact) +
2D Compatibility (PS) -40385 + (NN) -8111 + (LL) 1684
1D Compatibility (HY) -12400 + (ID) 3650
Total energy: -230218.0 ( -74.58 by residue)
QMean score : 0.420
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