Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLHALCLLLLLLGSSTKAGEIIGGTECIPHSRPYMAYLEIVTSDNYLSACSGFLIRRNFVLTAAHCAGRSITVLLGAHNKTYKEDTWQKLEVEKQFIHPNYDKRLVLHDIMLLKLKEKAKLTLGVGTLPLSANFNFIPPGRMCRAVGWGRTNVNEPASDTLQEVKMRLQEPQSC-KHFTSFQHKSQLCVGNPKKMQNVYKGDSGGPLLCAGIAQGIASYVHPNAKPPAVFTRISHYRPWINKILREN
1KYN Chain:B ((1-223))
---------------------IIGGRESRPHSRPYMAYLQI-QSPAGQSRCGGFLVREDFVLTAAHCWGSNINVTLGAHNIQRRENTQQHITARRAIRHPQYNQRTIQNDIMLLQLSRRVRRNRNVNPVALPRAQEGLRPGTLCTVAGWGRVSMRR-GTDTLREVQLRVQRDRQCLRIFGSYDPRRQICVGDRRERKAAFKGDSGGPLLCNNVAHGIVSYGKSSGVPPEVFTRVSSFLPWIRTTMR--
General information:
TITO was launched using:
RESULT:
Template:
1KYN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -179825 for 1931 contacts (-93.1/contact) +
2D Compatibility (PS) -23657 + (NN) -8515 + (LL) 1820
1D Compatibility (HY) -15600 + (ID) 5050
Total energy: -230827.0 ( -119.54 by residue)
QMean score : 0.428
(partial model without unconserved sides chains):
PDB file :
Tito_1KYN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KYN-query.scw
PDB file :
Tito_Scwrl_1KYN.pdb
: