Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALLIVESPAKARTISKYLSKEFKVAASFGHVRDLPVKNGS-----------VDPDNDFAIKYEIIEKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSKSAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTDIDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
3PWT Chain:A ((4-580)) | -ALVIVESPAKAKTINKYLGSDYVVKSSVGHIRDLPT----DERGALVNRMGVDPWHNWEAHYEVLPGKEKVVSELKQLAEKADHIYLATNLDREGEAIAWHLREVIG-----GDDARYSRVVFNEITKNAIRQAFNKPGELNIDRVNAQQARRFMDRVVGYMVSPLLWKKIARGLSAGRVQSVAVRLVVEREREIKAFVPEEFWEVDASTTTPSGEALALQVTHQNDKP---FRPVNKEQTQAAVSLLEKARYSVLEREDKPTTSKPGAPFITSTLQQAASTRLGFGVKKTMMMAQRLYEA--------GYITYMRTDSTNLSQDAVNMVRGYISDNFGKKYLPESPNQYA--------AHEAIRPSDVNVMAESLKDMEADAQ-KLYQLIWRQFVACQMTPAKYDSTTLTVGAGDFR--LKARGRILRFDGWTKVMPALR---EDRILPAVNKGDALTLVELTPAQHFTKPPARFSEASLVKELEKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTAQMENSLDQVANHEAEWKAVLDHFFSDFTQQLDKAEKDPEEGGMRPNQMVLT---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PWT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -233290 for 4306 contacts (-54.2/contact) +
2D Compatibility (PS) -57031 + (NN) -13568 + (LL) 14196
1D Compatibility (HY) -42800 + (ID) 12500
Total energy: -344993.0 ( -80.12 by residue)
QMean score : 0.421
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