Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNR-ENAQ----YDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
3TYU Chain:A ((20-262))
-----------VMGILNVTPDS------HNNLDQALQHAQRMLSAGATLIDIGGESTRPGAAEVSEQEELDRVVPVVEALAQRF-DVWLSVDTSKAAVITESAHAGAHLIND-IRSLQEPGALEAAAKTGLPVCLMHMQG--MQHSPYYDDLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLLNVPPQQRVIGSVACAVIAAMQGAQIIRVHDV----------------------
General information:
TITO was launched using:
RESULT:
Template:
3TYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110589 for 1862 contacts (-59.4/contact) +
2D Compatibility (PS) -24931 + (NN) -15590 + (LL) 2468
1D Compatibility (HY) -18000 + (ID) 4850
Total energy: -171492.0 ( -92.10 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3TYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYU-query.scw
PDB file :
Tito_Scwrl_3TYU.pdb
: