Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRITDLLSKDVMIMSLQATTKEAAIDEMIASLKSNGKINDEVLFKKAIMNREAQSSTGVGEGIAMPHAKTK---AVNEPTVVFAKSEKGLDYDALDGQPAHLFFMIAAPDGANATHLETLAALSRLLVHPAFVQSLRDAKTPEEVINLFNNEQEDSEETVVAPTSTNDTGKSVVAVTACPTGIAHTYMAAEKLQETANKLGVRIKVETNGSRGVENRLTDKEIAEADGVIIAADVQVDMPRFDGKHLIAKPVAAGIHKPEELIKEAISGNAPIYKAEEGSQATESADGLSIGQQIYKHLMSGVSHMLPFVIGGGIAIAIAFMLDQMLGVPQDQLAKLGSYNEIPALLKQIGDVAFGFMLPVFAGYIAYSISDRPGLVAGFVAGGVASVGGAGFLGALVGGFLAGYAVELIKLALKKLPKTLDGIKVVLFYPVLSVLIVGLLMLLLNVPMSALNTWLNDFLNSLSGTNAVILGLLLGAMMAADLGGPINKAAYIFATGTLAASVATGGSAIMAATMAAGMVPPLATFVATLIFRNKFTAQERDAGLTNSILGASFITEGAIPFAAADPLRMIPSFIAGSAITGAIVMFLNIKVLAPHGGVFVIFLVSQPWFYIIAIIIGTLISAGLIGVLRKKPTV |
1A3A Chain:A ((4-147)) | ---LFKLGAENIFLGRKAATKEEAIRFAGEQLVKGGYVE--PEYVQAMLDREKLTPTYLGESIAVPHGTVEAKDRVLKTGVVFCQYPEGVRFGEEEDDIARLVIGIAARN---NEHIQVITSLTNALDDESVIERLAHTTSVDEVLELLAGR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A3A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -73398 for 1133 contacts (-64.8/contact) +
2D Compatibility (PS) -15290 + (NN) -6952 + (LL) 35288
1D Compatibility (HY) -9200 + (ID) 1800
Total energy: -71352.0 ( -62.98 by residue)
QMean score : 0.503
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