Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQY-DRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGD-GCAQKNKPGVYTKVYNYVKWIKNTIAANS
2AIQ Chain:A ((1-225))
-----------------------VIGGDECNINEHRFLALVYANGSLCGGTLINQEWVLTARHCDRGNMRIYLGMHNLKVLNKDALRRFPKEKYFCLNTRNDTIWDKDIMLIRLNRPVRNSAHIAPLSLPSNPPSVGSVCRIMGWGTITSPNATLPDVPHCANINILDYAVCQAAYKG-LAATTLCAGILEGGKDTCKGDSGGPLICNGQFQGILSVGGNPCAQPRKPGIYTKVFDYTDWIQSIISGNT
General information:
TITO was launched using:
RESULT:
Template:
2AIQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121058 for 1988 contacts (-60.9/contact) +
2D Compatibility (PS) -24122 + (NN) -7967 + (LL) 1808
1D Compatibility (HY) -17200 + (ID) 4400
Total energy: -172939.0 ( -86.99 by residue)
QMean score : 0.629
(partial model without unconserved sides chains):
PDB file :
Tito_2AIQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AIQ-query.scw
PDB file :
Tito_Scwrl_2AIQ.pdb
: