Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDREQIIALQHQRFATKKYDPNRRISEKDWEVLVEVGRLAPSSIGLEPWKMLLLKNERMKEDLKPMAWGGLSSLEGASHFVIYLARKGVTYDSDYVKKVMHEVKKRDYDTHSRFAQIIKNFQENDIKL-NSERSLFDWASKQTYIQMANMMMAAAMLGIDSCPIEGYDQEKVEAYLEEKGYLNTAEFGVSVMASFGYRNQEITPKTRWKTEVIYEVIE
2HAY Chain:A ((11-203))
----QIQQALHFRTAVRVYK-EEKISDEDLALILDAAWLSPSSIGLEGWRFVVLDNKPIKEEIKPFAWGAQYQLETASHFILLIAEKHARYDSPAIKNSLLRRGIKEGDGLNSRLKLYESFQKEDMDMADNPRALFDWTAKQTYIALGNMMMTAALLGIDTCPIEGFHYDKVNHILAKHNVIDLEKEGIASMLSLGYRLRDPKHAQVRKPKEEVMSVV
General information:
TITO was launched using:
RESULT:
Template:
2HAY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107728 for 1485 contacts (-72.5/contact) +
2D Compatibility (PS) -21172 + (NN) -10196 + (LL) 196
1D Compatibility (HY) -17600 + (ID) 3850
Total energy: -160350.0 ( -107.98 by residue)
QMean score : 0.663
(partial model without unconserved sides chains):
PDB file :
Tito_2HAY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HAY-query.scw
PDB file :
Tito_Scwrl_2HAY.pdb
: