Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYDVIISGGGLLGLITAVGLSNNSVSVAVIEKNNLPRIIDDNRAFAISQGSRKILEKLGIWQFIESEAEPILDICILDENSPITVHYNHKMVSEEPMG----YVINSTVIWNAINNNFLNKLNIYSLHSYRTITCDAGYVEVTLGNNQKLISSLLICAEGKNSKLPGLFSMSIIKFDYKQSSIVFNV---KHELHHQ--NLAVEQFFPGGP-----FAILPMKSGYTSSIVWTEKSEISKMLMNLSEEEFIIELKKRFGSYLGEVKLDGERKSYPLSFASAKKLYKSRVLLIGDAAHSIHPVAGQGLNLGIRDAESVVRQITAAKAFGIDVGSSYLLKKISRDRCLDNFTMALATDGLNRIFSNRIFCAKTLRNFGLMAVENSKFLKKRFIRHAMGFV- |
4JY3 Chain:A ((10-379)) | KTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGA--GIYLWHNGLRVLEGLGALDDVLQGSHTP---------PTYETWMHNKSVSKETFNGLPWRIMTRSHLHDALVNRARALGVDISVNSEAVAADPVG--RLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSSVPID---LEVWVEMFPFLEPCLIEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEE--------GSS------VEDALVAWETRIRPITDRCQALSGDYAANRSLSKGNMFTPAALEAARYDPLRRVYSWPQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JY3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168814 for 3129 contacts (-54.0/contact) +
2D Compatibility (PS) -36784 + (NN) -434 + (LL) 2652
1D Compatibility (HY) -5600 + (ID) 3300
Total energy: -212280.0 ( -67.84 by residue)
QMean score : 0.381
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