Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGAN---AATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVARLADGVVV-GSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
1TJP Chain:A ((1-253))
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIE---KLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEK---NLASPKQMLAELRSFVSAMKAAS
General information:
TITO was launched using:
RESULT:
Template:
1TJP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153568 for 2139 contacts (-71.8/contact) +
2D Compatibility (PS) -28592 + (NN) -20895 + (LL) 648
1D Compatibility (HY) -16400 + (ID) 4850
Total energy: -223657.0 ( -104.56 by residue)
QMean score : 0.502
(partial model without unconserved sides chains):
PDB file :
Tito_1TJP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1TJP-query.scw
PDB file :
Tito_Scwrl_1TJP.pdb
: