Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNEEILREVADIFIGDDRDSIYDYKTGNELVRFFNHYFNKGDIYQAPFPSRWLYVVKHLQTLIQERKINQFFTLILSNHYIKYELKIDEVEAAKQAAKALKLFNKRLNHYGYYITGTNNARYFMDKDEDTESIGYGGYANIYLQKS--TG--LAVKKLKEEYLTDSSIKSRFKREFDLTKSFDTNPLFINVFEFNE--SDYSYTMELAD-ETLKDYIES-KTISELEKVKIIMKILKAMSQAHSENKIHRDISSKNVLMFR---GKVKISDLGLGKNLDEIHSHQTFDTNGVGQYKYCAPEQMYSLKQADKQSDVFSLGRLINFIMTGNVVNNH-------------------------HLFRGVSDKATNSSKEYRFEDANEMLKMLQRILEYHSSAKHVEKCQEKLKRGVFDDESEEFIMTRSDEQLCQMVLSSNNNEQACLIRYMQKNESSACDLIESINRKYQEFCGRFEDYDPFAKLAYMILCNNFSYRVNETAARVLNYVAWSVNRFSAQDLIKGLINRGVEPLIEEKLKDN |
3UC3 Chain:A ((19-293)) | ---------------------------------------------------------------------------------------------------------------------------SDRYDFVKDIGSGNFGVARLMRDKLTKELVAVKYIERGAA----IDENVQREIINHRSLR-HPNIVRFKEVILTPTHLAIIMEYASGGELYERICNAGRFSEDEARFFFQQLLSGVSYCHSMQICHRDLKLENTLLDGSPAPRLKICDFGYS-------------------PAYIAPEVLLRQEYDGKIADVWSCGVTLYVMLVGAYPFE-PRDYRKTIQRILSVKYSIPDDIRISPECCHLISRIFVADPATRI-SIPEIKTH------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -66463 for 1480 contacts (-44.9/contact) +
2D Compatibility (PS) -21281 + (NN) -4011 + (LL) 21856
1D Compatibility (HY) -10800 + (ID) 2400
Total energy: -83099.0 ( -56.15 by residue)
QMean score : 0.369
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