Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MALLIVESPAKARTISKYL-------------------SKEFKVAASFGHVRDLPVKNGS--VDPDNDFAIKYEII-EKAEKYVKELVKEASQTSDIYLATDPDREGEAIAWNVIEALKERKAINDKSNIYRVVFNEITKRAVQEAVKNPREINMDLVRAQQARRALDYLVGFSLSPLLWTKLSGSK-SAGRVQSVALKLICEREDEISKFVSQEYWSIRAEIKDSKGETFFAMLSHYDNKKLEKFDIKNEEEAKGLVKQIESRQYAVSTVERKQVKRNPLPPFITSSLQQDAVNKLYFNVKNVMRIAQDLYEGIDIGGETVGLITYMRTDGFYIADEAVNSIRRSIKSLYGNKYLPKSSRQYVKKVKNAQEAHEAIRPTD---------IDRTPDSIKDYLTPEQFKLYGLIWKRTIASQMESAILDQVVVEISSTDQKVILRASGSIIFFDGFYKVYKNNVDGEDESMIPTMKEGEECKLISVDPEQHFTQPPSRYSEASIVKKMEEIGIGRPSTYAAIISVLQDREYVTLDNKRFIPSSRGKIVTIFLETFFQRCVEYDFTAQMEEKLDLISNGRADWKKELGYFWVPFFNHVNSVKQMTHDEIFNGIRDLVVDWFCSEEGKKEVNKKCPDCPDGILKLNFGKAGVFLGCSNYPTCTHTKEITGSNDNSEYPKSLGIDGVTEQEVVIKKGPFGLYLEFNSESEKKKTVSIPKDINVNDIDLSTATRLLSLPKVIGEHPETGKEVKIGLGRFGYYIFYDSKYFSLKKSFKEVLEIQLDEAVQIIANSPRKELKSLGFNEKGKEVFICNGRYGFYIKCGKTNVALGKNADIESVDLRRALELIKSKK |
| 1GKU Chain:B ((1-1054)) | AAAAAAAAAAAAAAAAAAASLCLFPEDFLLKEFVEFFRKCVGEPRAIQKMWAKRILRKESFAATAPTGVGKTSFGLAMSLFLALKGKRCYVIFPTSLLVIQAAETIRKYAEKAGVGTENLIGYYHGRIPKREKENFMQNLRNFKIVITTTQFLSKHYRELGHFDFIFVDDVDAILKASKNVDKLLHLLGFHYDLKTKSWVGEARGCLMVSTATAKKGKKAELFRQLLNFDIGSSRITVRNVEDVAVNDESISTLSSILEKLGTGGIIYARTGEEAEEIYESLKNKFRIGIVTATKKGDYEKFVEGEIDHLIGTAHRGLDLPERIRFAVFVGCPSFRVTIEDIDSLSPQMVKLLAYLYRNVDEIERLLPAVERHIDEVREILKKVMGKERPQAKDVVVREGEVIFPDLRTYIQGSGRTSRLFAGGLTKGASFLLEDDSELLSAFIERAKLYDIEFKSIDEVDFEKLSRELDESRDRYRRRQEFDLIKPALFIVESPTKARQISRFFGKPSVKVLDGAVVYEIPMQKYVLMVTASIGHVVDLITNRGFHGVLVNGRFVPVYASIKDNSRSRIEALRKLAHDAEFVIVGTDPDTEGEKIAWDLKNLLSGCG------AVKRAEFHEVTRRAILEALESLRDVDENLVKAQVVRRIEDRWIGFVLSQKLWERFNNRNLSAGRAQTLVLGWIIDRFQESRERRKIAIVRDFDLVLE---------------------------------HDEEEFDLTIKLVEEREELRTPLPPYTTETMLSDANRILKFSVKQTMQIAQELFEN--------GLITYHRTDSTRVSDVGQRIAKEYLGDDFVGRE------------WGESGAHECIRPTRPLTRDDVQRLIQEGVLVVEGLRWEHFALYDLIFRRFMASQCRPFKVVVKKYSIEFDGKTAEEER--IVRAEGRAYELYRAVWVKNELPT----------GTFRVKAEVKSVPKVLPFTQSEIIQMMKERGIGRPSTYATIVDRLFMRNYVVEKYGRMIPTKLGIDVFRFLVRRYAKFVSEDRTRDLESRMDAIERGELDYLKALEDMYAEIKSID------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GKU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133735 for 4000 contacts (-33.4/contact) +
2D Compatibility (PS) -51935 + (NN) -10593 + (LL) 17564
1D Compatibility (HY) -22800 + (ID) 7850
Total energy: -209349.0 ( -52.34 by residue)
QMean score : 0.320
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