Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGLPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGANAATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVARLADGVVV-GSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
1K8Z Chain:A ((1-253))
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLS--------ALPLHHLIE---KLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEK---NLASPKQMLAELRSFVSAMKAAS
General information:
TITO was launched using:
RESULT:
Template:
1K8Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143574 for 2020 contacts (-71.1/contact) +
2D Compatibility (PS) -27646 + (NN) -20032 + (LL) 948
1D Compatibility (HY) -16400 + (ID) 4600
Total energy: -211304.0 ( -104.61 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_1K8Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K8Z-query.scw
PDB file :
Tito_Scwrl_1K8Z.pdb
: