Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTHSRLIGALTVVAIIVTACGSQPKSQPAVAPTGDAAAATQVPAGQTVPAQLQFSAKTLDGHDFHGESLLGKPAVLWFWAPWCPTCQGEAPVVGQVAA-SHP-EVTFVGVAGLDQVPAMQEFVNKYPVKTFTQLADTDGSVWANFGVTQQPAYAFVDPHGNVD-VVRGRMSQDELTRRVTALTSR
2LJA Chain:A ((5-142))
---------------------------------------------SGNPSAASFSYPDINGKTVSLADLKGKYIYIDVWATWCGPCRGELPALKELEEKYAGKDIHFVSLSCDKNKKAWENMVTKDQLKGIQLHMGTDRTFMDAYLINGIPRFILLDRDGKIISANMTRPSDPKTAEKFNELL--
General information:
TITO was launched using:
RESULT:
Template:
2LJA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93288 for 989 contacts (-94.3/contact) +
2D Compatibility (PS) -14487 + (NN) -5674 + (LL) 3120
1D Compatibility (HY) -7600 + (ID) 1450
Total energy: -119379.0 ( -120.71 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_2LJA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2LJA-query.scw
PDB file :
Tito_Scwrl_2LJA.pdb
: