Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAGLLLSLAWADYRGEARLSLCAIFALAAVITPLLVLFGLKYGLVSTLTERLERAPSVREIIPVGGARYRAEDIAALAARADVAFAVPRTRQIAATADLSGGGETALSVEMIPSAAGDPLLAGLPQPDRPTRVVLSHGAAEKLGAQPGERIVARIGRRMDGQAQSQRLELEVLAVLPQERFARDALFAPLALLEAAEDYRDGRAVAAYGWPGKAGETPRARIYPGFRLYARDLDAVEGLRRHFVASGVEVATQAEAIAQVRSLSRNLGLVFWIVAALAIGGAFAAIAASSLAAVERKRRALAVLRLLGFPTAALVGFVMLLALFSA-VFGLFLAGLLYAATAGALNHLFDNQSGEFVCRLLPSHYLTALLATLLCSVLAAASGGWRAARIEAAEGLRDV |
4PYP Chain:A ((69-138)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIF |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -54441 for 464 contacts (-117.3/contact) +
2D Compatibility (PS) -7163 + (NN) -1928 + (LL) 21672
1D Compatibility (HY) -7200 + (ID) 950
Total energy: -50010.0 ( -107.78 by residue)
QMean score : 0.303
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