Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFLLKPKKSLGQNFILSSEITKRIVVLAGNLEDFNVIEIGPGYGALTKEILAHNPKSLLAIEKDSNLVKCHDQLLNEHQGKFRIVEADALYVVEEELIERPVKVIANLPYNISLALFLKWLNKIKLFTTFTLMFQKEVADRIIARPNSKDYGSLSVLSQLLCDIRREFDIEPKEFFPRPKVYSSVITVKPLPTQRFAVNLEALTKLTRAVFAQRRKMLRNSLQNVTNRTETALENAKLSGNERPKNLTVEQFCLLANNM
3GRU Chain:A ((30-234))
-------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEE-LAKNAKKVYVIEIDKSL-EPYANKLKELYNNIEIIWGDALKVDLNKLDFN--KVVANLPYQISSPITFKLIKR--GFDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKYHIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVF
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) -101005 for 1600 contacts (-63.1/contact) +
2D Compatibility (PS) -22133 + (NN) -10030 + (LL) 1564
1D Compatibility (HY) -12000 + (ID) 3750
Total energy: -147354.0 ( -92.10 by residue)
QMean score : 0.505
(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
: