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



Input alignment information:
Query sequence----------------------------------------------------------------------------------------------------------MIILVQEVVVEGDI------NLGQFLKTEGIIESGG-----QAKWFLQDVEVLINGVRETRRGKKLEHQDRIDIPELPEDAGSFLIIHQGEQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4US3 Chain:A ((10-450))GREQWASRLGFILAAMGSAVGLGNIWRFSYVTGENGGAAFLLVYLGFIALIGIPIVLAEFTIGRRAQSDAVGSFEKLAPGKPWKVAGLMGVAAGFLILSFYGVIAGWILFYLFNYITGQLWSAPAEGFGGFF--EGFIANPTLPLFWQALFMIATIWIVAIGVKKG-----IERSNKILMPLLGVLLIALAIYSLTLGGAKEGLAFLFSPDWSALKDPGVYLAAISQAFFTLSLGMGALITYGSYVSKDSRLPGAAVSVAGLDTAFAIIAGIMIFPAVFALGLSPSGGPGLVFVVLPDIFDSIRLGPIVGIAFFILLGAAALSSAVSLLEVPVAYFMRKFDWSRKQAAITLGVIITLLGIPSSLSFGVLGEVTIIPGLNIFDSVDFIASSVFLPLGGMIIALFIGWGWKTSDALAESDLTDSVWGKLWILSLRFIAPIAILIVFLSAF


General information:
TITO was launched using:
RESULT:

Template: 4US3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -14582 for 309 contacts (-47.2/contact) +
2D Compatibility (PS) -8012 + (NN) -4381 + (LL) 272
1D Compatibility (HY) -9600 + (ID) 800
Total energy: -37103.0 ( -120.07 by residue)
QMean score : 0.139

(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: