Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVLYGHSTQDLPETNARVVGGTEAGRNSWPSQISLQYRSGGSRYHTCGGTLIRQNWVMTAAHCVDYQKTFRVVAGDHNLSQNDGTEQYVSVQKIVVHPYWNSDNVAAGYDIALLRLAQSVTLNSYVQLGVLPQEGAILANNSPCYITGWGKTKTNGQLAQTLQQAYLPSVDYAICSSSSYWGSTVKNTMVCAGGDGVRSGCQGDSGGPLHCLVNGKYSVHGVTSFVSSRGCNVSRKPTVFTQVSAYISWINNVIASN
2BB4 Chain:A ((1-240))
------------------VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRELTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN
General information:
TITO was launched using:
RESULT:
Template:
2BB4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173643 for 2117 contacts (-82.0/contact) +
2D Compatibility (PS) -26537 + (NN) -13935 + (LL) 1140
1D Compatibility (HY) -31600 + (ID) 10650
Total energy: -255225.0 ( -120.56 by residue)
QMean score : 0.473
(partial model without unconserved sides chains):
PDB file :
Tito_2BB4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BB4-query.scw
PDB file :
Tito_Scwrl_2BB4.pdb
: