Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYPQLSKEVAPNEIEAEMITNRGTIRIKLFPEIAPKTVENFVTHSKNGY---YDGLIFHRVIPEFMIQGGDPDG-RGTGGESIWGESFEDEFSTEAFNLRGALSMANAGPNTNGSQFFIVQKPDMPADMLGQMEQAGFPVEVIEAYKQGGTPWLDGRHTVFGHVIEGMDVVDEIANLPTGMQDKPVNDVVIEKINIK
2HAQ Chain:A ((37-187))
-------------------SEPLGRITIGLFGKDAPLTTENFRQLCTGEHGFGYKDSIFHRVIQNFMIQGGDFTNFDGTGGKSIYGEKFADENL-NVKHFVGALSMANAGPNTNGSQFFITTAPTP---------------------------WLDGRHVVFGKVLDGMDVVLRIEKTKTNSHDRPVKPVKIVASGEL
General information:
TITO was launched using:
RESULT:
Template:
2HAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44755 for 1100 contacts (-40.7/contact) +
2D Compatibility (PS) -15455 + (NN) -7445 + (LL) 3124
1D Compatibility (HY) -8000 + (ID) 3950
Total energy: -76481.0 ( -69.53 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_2HAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HAQ-query.scw
PDB file :
Tito_Scwrl_2HAQ.pdb
: