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



Input alignment information:
Query sequence----------------------------------------------------------------------------------------------------------------MNYYS--------KNKENFYQKLTDDPLFSSLTDYLYEHREQETILRELKK--EFSQNKFSHFLDLLIDAGLIKRE---ERRYHLNFPIFDPKDYLQQATSAAETIAEQLKRLSVDEQKLAMGEVIWAYCFEDERKEAYFYGVRNSRETELLRTTAGNEKYRFIT---LSSIEHFPLTLANYFFVQKNQLPVTKAFKELAELIGDVNESYFFDQIEVIV-DRIRKNKYKNRRPSIFHQSLLVTNTIKEEESFTL-----------ELPIVEKNNFEIELPTLDPSLTM-------EEMAFLKRQIFSELSKKFIPHAFSYIKEYGTVLVSKT--
4US3 Chain:A ((10-450))GREQWASRLGFILAAMGSAVGLGNIWRFSYVTGENGGAAFLLVYLGFIALIGIPIVLAEFTIGRRAQSDAVGSFEKLAPGKPWKVAGLMGVAAGFLILSFYGVIAGWILFYLFNYITGQLWSAPAEGFGGFFEGFIANPTLPLFWQALFMIATIWIVAIGVKKGIERSNKILMPLLGVLLIALAIYSLTLGGAKEGLAFLFSPDWSALKDPGVYLAAISQAFFTLS-----LGMGALITYGSYVSKDSRLPGAAVSVAGLDTAFAIIAGIMIFPAVFALGLSPSGGPGLVFVVLPDIFDSIRLGPIVGIAFFILLGAAALSSAVSLLEVPVAYFMRKFDWSRKQAAITLGVIITLLGIPSSLSFGVLGEVTIIPGLNIFDSVDFIASSVFLPLGGMIIALFIGWGWKTSDALAESDLTDSVWGKLWILSLRFIAPIAILIVFLSAF


General information:
TITO was launched using:
RESULT:

Template: 4US3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1292 -50746 -39.28 -173.79
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain A : 0.56

3D Compatibility (PKB) : -39.28
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.56
QMean score : 0.192

(partial model without unconserved sides chains):
PDB file : Tito_4US3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4US3-query.scw
PDB file : Tito_Scwrl_4US3.pdb: