Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKVIT-DLDKALSGLKDGDTILVGGFGLCGIPEYAIDYIYKKGIKDLIVVSNNCGVDDFGLGILLEKKQIKKIIASYVGENKIFESQMLNGEIEVVLTPQGTLAENLRAGGAGIPAYYTPTGVGTLIAQGKESREFNGKEYILERAITGDYGLIKAYKSDTLGNLVFRKTARNFNPLCAMAAKICVAEVEEIVPAGELDPDEIHLPGIYVQHIYKGEKFEKRIEKTTTRSAK
3CDK Chain:A ((4-232))
--GKVLSSSKEAAKLIHDGDTLIAGGFGLCGIPEQLILSIRDQGVKDLTVVSNNCGVDDWGLGLLLANKQIKKMIASYVGENKIFERQFLSGELEVELVPQGTLAERIRAGGAGIPGFYTATGVGTSIAEGKEHKTFGGRTYVLERGITGDVAIVKAWKADTMGNLIFRKTARNFNPIAAMAGKITIAEAEEIVEAGELDPDHIHTPGIYVQHVVLGASQEKRIEKRTVQQ--
General information:
TITO was launched using:
RESULT:
Template:
3CDK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132336 for 1952 contacts (-67.8/contact) +
2D Compatibility (PS) -24611 + (NN) -10079 + (LL) 336
1D Compatibility (HY) -21200 + (ID) 7500
Total energy: -195390.0 ( -100.10 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_3CDK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CDK-query.scw
PDB file :
Tito_Scwrl_3CDK.pdb
: