Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIIYCITKADNGGAQTHLIQLANHFCVHHDVYVIVGN-HGP--MIEQLDARVNVIILEHLVGPIDFKQDILAVKVLAQLFSKIKPDVIHLHSSKAGTVGRIAKFISKSKDTRVVFTAHGWAFTEGVKPAKKFLYLVIEKLMSCITDSIICVSDFDKQLALKYRFNRLKLTTIHNGIADVPAVKQTLKSQSHNNIGEVVGMLPNKQDLQINAPTKHQFVMIARFAYPKLPQNLIAAIEILKLHNS-NHAHFTFIGDGPTL-NDCQQQVVQAGLE--------NDVTFLGNVINASHLLSQYDTFILI-SKHEGLPISIIEAMATGLPVIASHV-GGISELVAD---NGICMMNNQPETIAKVLEKYLIDSDYIKMSNQSRKRYLECFTEEKMIKEVEDVYNGKSTQ |
2XCI Chain:A ((40-373)) | KGALWVHT--ASIGEFNTFLPILKELKREHRILLTYFSPRAREYLKTKSDFYDCLHPLPL-----------DNPFSVKRFEELSKPKALIVVEREF-WP-SLIIF-TK---VPKILVNAYAKG------------SLIEKILSKKFDLIIMRTQEDVEKFKTFGAK--RVFSCGNLKFICQKGK-------------------------GIKLKGE-FIVAGSI-HTGEVEIILKAFKEIK--KTYSSLKLILVPRHIENAKIFEKKARDFGFKTSFFENLEGDVILVDRFGILKELYPVGKIAIVGGTFVNIGGHNLLEPTCWGIPVIYGPYTHKVNDLKEFLEKEGAGFEVKNETELVTKLTELLSVKKEIKVEEKSREIK------GCYLEKLREFLRG---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XCI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -248785 for 2571 contacts (-96.8/contact) +
2D Compatibility (PS) -34630 + (NN) -13769 + (LL) 4296
1D Compatibility (HY) -8000 + (ID) 2050
Total energy: -302938.0 ( -117.83 by residue)
QMean score : 0.493
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