Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VKKLVAWFNGLSKMWKVVVIIGAVFVVIIALTTGEDEGEQTKTKKDSNKVVKTASRPKLSTKDLALIKADLAEFEARELSSEKILKDTIKEESWSDLDFANDNI-------NQMIGTMKRYQQEILSIDAIKRSSEASADTEAFKKIFKEWSEFKIERIQVTIDLLNGKKDSEAVFKKTYPNQIIFKKVRTNKLQTALNNLKVGYELLDSQK |
3SMQ Chain:A ((39-127)) | --------------------------------------------------------------------------------HEEMLKDKIRTESYRDFIYQNPHIFKDKVVLDVGCGT------GILSMFAAKAGAKKVLGVDQSEILYQAMDIIRLNKLEDTITLIKGK------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SMQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 27488 for 519 contacts (53.0/contact) +
2D Compatibility (PS) -7580 + (NN) 2306 + (LL) 10808
1D Compatibility (HY) -6400 + (ID) 1100
Total energy: 25522.0 ( 49.18 by residue)
QMean score : 0.031
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