Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGAN-AATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVARLADGVVV-GSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
2TRS Chain:A ((1-253))
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAEN----HHLIE---KLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEK---NLASPKQMLAELRSFVSAMKAAS
General information:
TITO was launched using:
RESULT:
Template:
2TRS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137040 for 2051 contacts (-66.8/contact) +
2D Compatibility (PS) -28134 + (NN) -20405 + (LL) 1164
1D Compatibility (HY) -16000 + (ID) 4750
Total energy: -205165.0 ( -100.03 by residue)
QMean score : 0.486
(partial model without unconserved sides chains):
PDB file :
Tito_2TRS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2TRS-query.scw
PDB file :
Tito_Scwrl_2TRS.pdb
: