Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGAN---AATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVARLADGVVV-GSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
3CEP Chain:A ((2-253))
-ERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLAIIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIE---KLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEK---NLASPKQMLAELRSFVSAMKAAS
General information:
TITO was launched using:
RESULT:
Template:
3CEP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155709 for 2133 contacts (-73.0/contact) +
2D Compatibility (PS) -28569 + (NN) -22121 + (LL) 856
1D Compatibility (HY) -16000 + (ID) 4800
Total energy: -226343.0 ( -106.11 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_3CEP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CEP-query.scw
PDB file :
Tito_Scwrl_3CEP.pdb
: