Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMVVAKKSLGQHFLMDESFLDRIVNALPPLNSLRLIEIGVGLGDLTLKLLDRYP-LKTYEIDSNLCEKMRARLRAEKKPFQLELVEKDALF-LKE-EEPYFLISNLPYYIATRLVLNALKDPKCRGLLVMTQKEVALKFCAKDSQN---ALSVLAHTIGNATLLFDVPPSAFSPPPKVFSSVFEVIKEPLKEKALASLAQAPFFEEALQKGFETLEDFLKACFSSPRKTLSNNLKKSVSYKE-KLDKVLDFLALE-----NQP--TSVRASEVK--DYLKLLKSVLKG
3GRU Chain:A ((30-287))---------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKE---LYNNIEIIWGDALKVDLNKLDFNKVVANLPYQISSPITFKLIKR-GFDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKY---------------HIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSNEFYRF


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) -115911 for 1908 contacts (-60.8/contact) +
2D Compatibility (PS) -26099 + (NN) -17753 + (LL) 2572
1D Compatibility (HY) -11200 + (ID) 3000
Total energy: -171391.0 ( -89.83 by residue)
QMean score : 0.526

(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: