Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LEKYLICSDLDGTLLLKNQTISPKTLNLLQQLIEEGHHFAVSTGRMYNSATDFAKL-VHPKADVIASNGGVVAVS-GEIIQQEKMKQSALLETFLLCQNHDLPVFFFSTDTVFYTKNPP--YYFTDEEDKGRVNATKLVAIKSREIFLEHADQFINGIVIEEE--DFDKLAVLRSDLEKLSDVSILSSHANNIEILPKDMDKKYAVKNLAAHLNIKPENVITFGDGENDIGMLEVAGAGVAMENASELVKKSADFVTTANDADGIYYFLKKHLNR
1NF2 Chain:A ((1-262))
-MYRVFVFDLDGTLLNDNLEISEKDRRNIEKLSR-KCYVVFASGRMLVSTLNVEKKYFKRTFPTIAYNGAIVYLPEEGVILNEKIPPEVAKDIIEYIKPLNVHWQAYIDDVLYSEKDNEEIKSYAR--HSN----VDYRVEPNLSELVSK-MGTTKLLLIDTPERLDELKEILSERFKDVVKV--FKSFPTYLEIVPKNVDKGKALRFLRERMNWKKEEIVVFGDNENDLFMFEEAGLRVAMENAIEKVKEASDIVTLTNNDSGVSYVLERIS--
General information:
TITO was launched using:
RESULT:
Template:
1NF2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111377 for 2136 contacts (-52.1/contact) +
2D Compatibility (PS) -28082 + (NN) -15541 + (LL) 1184
1D Compatibility (HY) -15600 + (ID) 3400
Total energy: -172816.0 ( -80.91 by residue)
QMean score : 0.464
(partial model without unconserved sides chains):
PDB file :
Tito_1NF2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NF2-query.scw
PDB file :
Tito_Scwrl_1NF2.pdb
: