Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYFDPKLKIFSLNSNRELAEEIAKEVGIELGKSSVTHFSDGEIQINIEESIRGCHVYVIQSTSNPVNQNLMELLIMIDALKRASAATINIVMPYYGYARQDRKARSREPITAKLVANLIETAGATRMITLDMHAPQIQGFFDIPIDHLNA----VRLLSDYFSERHLGDDLVVVSPDHGGVTRARKMADRLKAPIAIIDKRRPRPNVAEVMNIVGNVEGKVCIIIDDIIDTAGTITLAAKALREAGATKVYACCSHPVLSGPAMKRIEESPIEKLVVTNSIALPEE---KWIDKMEQLSVAALLGEAIVRVHENASVSSLFE |
2HCR Chain:B ((3-313)) | --------NIKIFSGSSHQDLSQKIADRLGLELGKVVTKKFSNQETCVEIGESVRGEDVYIVQSGCGEINDNLMELLIMINACKIASASRVTAVIPCFPYARQDKKDKSRAPISAKLVANMLSVAGADHIITMDLHASQIQGFFDIPVDNLYAEPAVLKWIRENISEWR---NCTIVSPDAGGAKRVTSIADRLNVDFALIHKE-------DRMVLVGDVKDRVAILVDDMADTCGTICHAADKLLSAGATRVYAILTHGIFSGPAISRINNACFEAVVVTNTI--PQEDKMKHCSKIQVIDISMILAEAIRRTHNGESVSYLF- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HCR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -281002 for 2515 contacts (-111.7/contact) +
2D Compatibility (PS) -33477 + (NN) -24189 + (LL) 740
1D Compatibility (HY) -30800 + (ID) 7250
Total energy: -375978.0 ( -149.49 by residue)
QMean score : 0.605
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