Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKFLLKPKKSLGQNFILSSEITKRIVVLAGNLEDFNVIEIGPGYGALTKEILAHNPKSLLAIEKDSNLVKCHDQLLNEHQGKFRIVEADALYVVEEELIERPVKVIANLPYNISLALFLKWLNKIKLFTTFTLMFQKEVADRIIARPNSKDYGSLSVLSQLLCDIRREFDIEPKEFFPRPKVYSSVITVKPLPTQRFAVNLEALTKLTRAVFAQRRKMLRNSLQNVTNRTETALENAKLSGNERPKNLTVEQFCLLANNM
3GRV Chain:A ((30-234))
-------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEE-LAKNAKKVYVIEIDKSL-EPYANKLKELYNNIEIIWGDALKVDLNKLDFN--KVVANLPYQISSPITFKLIKR--GFDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKYHIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVF
General information:
TITO was launched using:
RESULT:
Template:
3GRV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97131 for 1589 contacts (-61.1/contact) +
2D Compatibility (PS) -22114 + (NN) -10138 + (LL) 1564
1D Compatibility (HY) -12000 + (ID) 3750
Total energy: -143569.0 ( -90.35 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3GRV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRV-query.scw
PDB file :
Tito_Scwrl_3GRV.pdb
: