Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQKYERILVAIDGSTESELAFEKAVNVALRNDSELILTHVIDTRALQSFATFDTYIYEKLEKEA---KDVLEEYEKQAREKGADKVRQVIEFGNPKTLLAHDIPEKEKVDLIMVGATGLNTFERFLIGSSSEYILRHAKVDLLIVRDPNKTM
3S3T Chain:A ((4-146))
---RYTNILVPVDSSDAAQAAFTEAVNIAQRHQANLTALYVVDDSAYHTPA-LDPVLSELLDAEAAHAKDAMRQRQQFVATTSAPNLKTEISYGIPKHTIEDYAKQHPEIDLIVLGATGTNSPHRVAVGSTTSYVVDHAPCNVIVIR------
General information:
TITO was launched using:
RESULT:
Template:
3S3T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70743 for 1067 contacts (-66.3/contact) +
2D Compatibility (PS) -15440 + (NN) -5182 + (LL) 380
1D Compatibility (HY) -8800 + (ID) 2250
Total energy: -102035.0 ( -95.63 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3S3T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S3T-query.scw
PDB file :
Tito_Scwrl_3S3T.pdb
: