Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFLLKPKKSLGQNFILSSEITKRIVVLAGNLEDFNVIEIGPGYGALTKEILAHNPKSLLAIEKDSNLVKCHDQLLNEHQGKFRIVEADALYVVEEELIERPVKVIANLPYNISLALFLKWLNKIKLFTTFTLMFQKEVADRIIARPNSKDYGSLSVLSQLLCDIRREFDIEPKEFFPRPKVYSSVITVKPLPTQRFAVNLEALTKLTRAVFAQRRKMLRNSLQNVTNRT-------ETALENA-----KLS--GNERPKNLTVEQFCLLANNM
3GRU Chain:A ((30-285))
-------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAK-KVYVIEIDKSLEPYANKLKE-LYNNIEIIWGDALKVDLNK--LDFNKVVANLPYQISSPITFKLIKR--GFDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKYHIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSNEF
General information:
TITO was launched using:
RESULT:
Template:
3GRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123294 for 1957 contacts (-63.0/contact) +
2D Compatibility (PS) -26314 + (NN) -16112 + (LL) 1664
1D Compatibility (HY) -14000 + (ID) 3850
Total energy: -181906.0 ( -92.95 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_3GRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRU-query.scw
PDB file :
Tito_Scwrl_3GRU.pdb
: