Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVLYGHSTQDLPETNARVVGGTEAGRNSWPSQISLQYRSGGSRYHTCGGTLIRQNWVMTAAHCVDYQKTFRVVAGDHNLSQNDGTEQYVSVQKIVVHPYWNSDNVAAGYDIALLRLAQSVTLNSYVQLGVLPQEGAILANNSPCYITGWGKTKTNGQLAQTLQQAYLPSVDYAICSSSSYWGSTVKNTMVCAGGDGVRSGCQGDSGGPLHCLVNGKYSVHGVTSFVSSRGCNVSRKPTVFTQVSAYISWINNVIASN
2IOT Chain:A ((1-240))
------------------VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRELTFRVVVGEHNLNQNDGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN
General information:
TITO was launched using:
RESULT:
Template:
2IOT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172245 for 2090 contacts (-82.4/contact) +
2D Compatibility (PS) -26444 + (NN) -13732 + (LL) 1140
1D Compatibility (HY) -31600 + (ID) 10700
Total energy: -253581.0 ( -121.33 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_2IOT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IOT-query.scw
PDB file :
Tito_Scwrl_2IOT.pdb
: