Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASIT-LPPLFGWAQNVN--------DDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD |
4BVN Chain:A ((17-300)) | --------------------------------------------------------------------------------------LMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFITSLACADLVVGLLVVPF-GATLVVRGTWLWGSFLCELWTSLDVLCVTASVETLCVIAIDRYLAITSPFRYQSLMTRARAKVIICTVWAISALVSFLPIMMHWWRDEDPQALKCYQDPGCCDFVTNRAYAIASSIISFYIPLLIMIFVALRVYREAK--------------------------------EQIR------KRKTSRV-MLMREHKALKTLGIIMGVFTLCWLPFFLVNIVNVF----NRDLVPKWLFVAFNWLGYANSAMNPIILC-RSPDFRKAFKRLLA------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BVN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223351 for 2043 contacts (-109.3/contact) +
2D Compatibility (PS) -26854 + (NN) 1793 + (LL) 11528
1D Compatibility (HY) -36400 + (ID) 5350
Total energy: -278634.0 ( -136.38 by residue)
QMean score : 0.389
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