Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQLTRLVQVDCPLGPDVLLLQRMEGREELGRLFAYELHLVSENPNLPLEQLLGKPMSLSLELPGGSRRFFHGIVARCSQVAGHGQFAGYQATLRPWPWLLTRTS---DCRIFQNQSVPEIIKQVFRNLGFSDFEDALTRPYRE--WEYCVQYRETSFDFISRLMEQEGIYYWFRHEQKRHILVLSDAYGAHRSPGGYASVPYYPPTLGHRERDHFFDWQMAREVQPGSLTLNDYDFQRPGARLEVRSNIARPHAAADYPLYDYPGEYVQSQDGEQYARNRIEAIQAQHERVRLRGVVRG--------IGAGHLFRLSGYPRDDQNREYLVVGAEYRV------VQELYETGSGGAGSQFESELDCIDASQSFRLLPQTPVPVVRGPQTAVVVGPKGEEIWTDQYGRVKVHFHWDRHDQSNENSSCWIRVSQAWAGKNWGSMQIPRIGQEVIVSFLEGDPDRPIITGRVYNAEQTVPYELPANATQSGMKSRSSKGGTPANFNEIRMEDKKGAEQLYIHAERNQDNLVENDASLSVGHDRNKSIGHDELARIGNNRTRAVKLNDTLLVGGAKSDSVTGTYLIEAGAQIRLVCGKSVVEFNADGTINISGSAFNLYASGNGNIDTGGRLDLNSGGASEVDAKGKGVQGTIDGQVQAMFPPPAKG |
1WRU Chain:A ((3-346)) | ----NTVTLRAD-GRLFTGWTSVSVTRSIESV-AGYFELGVNVPPGTDLSGLAPGKKFTLEI--GGQIVCTGYIDSRRRQMTADS-MKITVAGRDKTADLIDCAAVYSGGQWKNRTLEQIARDLCAPYGVTVRWELSDKESSAAFPGFTLDHSETVYEALVRASRARGVLMTSNAAGELVFSRAASTATDELVLGE--NLLTLDFEEDFRDR------FSEYTVKSRKGTATDSDVTRYRPMIIIADS--------------------KITAKDAQARALREQRRRLAKSITFEAEIDGWTRKDGQLWMPNLLVTIDASKYAIKTTELLVSKVTLILNDQDGLKTRVSLAPREGFLVPVESD------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86982 for 2391 contacts (-36.4/contact) +
2D Compatibility (PS) -32235 + (NN) -4982 + (LL) 15768
1D Compatibility (HY) -2400 + (ID) 1900
Total energy: -112731.0 ( -47.15 by residue)
QMean score : 0.290
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