Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAGLLLSLAWADYRGEARLSLCAIFALAAVITPLLVLFGLKYGLVSTLTERLERAPSVREIIPVGGARYRAEDIAALAARADVAFAVPRTRQIAATADLSGGGETALSVEMIPSAAGDPLLAGLPQPDRPT---RVVLSHGAAEKLGAQPGERIVARIGRRMDGQAQSQRLELEVLAVLPQERFARDALFAPLALLEAAEDYRDGRAVAAYGWPGKAGETPRARIYPGFRLYARDLDAVEGLRRHFVASGVEVATQAEAIAQVRSLSRNLGLVFWIVAALAIGGAFAAIAASSLAAVERKRRALAVLRLLGFPTAALVGFVMLLALFSAVFGLFLAGLLYAATAGALNHLFDNQSGEFVCRLLPSHYLTALLATLLCSVLAAASGGWRAARIEAAEGLRDV |
1IVR Chain:A ((7-126)) | -------------------------------------------------------------------------------------------------------------VEMGPP---DPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKP---YVLNCVRKAEAMIAAKKMDKEYLPIAGLADFTRAS--AELALGENSEAFKSGRYVTVQGISGTGSLRVGANFLQRFFKFSRDVYLPKPSWGNHTPIFRDAGLQLQAYRYYDPKTCSLDFTGAMEDISKIPEKSIILLHACAHNPTGVDPRQEQWKELASVVKKRNLLAYFDMAYQGFASGDINRDAWALRHFIEQGIDVVLSQSYAKNMGLYGERAGAFTVICRDAEEAKRVESQLKILIRPMYSNPP |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IVR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 5593 for 533 contacts (10.5/contact) +
2D Compatibility (PS) -11639 + (NN) 6245 + (LL) 9916
1D Compatibility (HY) -5600 + (ID) 1700
Total energy: 2815.0 ( 5.28 by residue)
QMean score : -0.073
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