Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTQRKAVLVMGAGDATGGAIARRFAREGYVACVARRNAEKLEPLVQAIRDQGGEALACGCDARQEQQVIDLFARIEGEVGALEAVIFNVGANVWFPITETTERVYRKVWEMAAFGGFLTGREAARVMLPRQRGTIIFTGATASLRGRAHFAAFSGAKFALRALAQSMARELGPKDIHVAHPIIDGAIDTDFIRETL-PELYKRKEQDGIL----DPEHIAETYWQIHCQPRDCWVHELDLRPWMETF
1AHI Chain:A ((12-239))
----KCAIITGAGAGIGKEIAITFATAGASVVVSDINADAANHVVDEIQQLGGQAFACRCDITSEQELSALADFAISKLGKVDILVNNAGGGGPKPF-DMPMADFRRAYELNVFSFFHLSQLVAPEMEKNGGGVILTITSMAAENKNINMTSYASSKAAASHLVRNMAFDLGEKNIRV-NGIAPGAILTDALKSVITPEIEQKMLQHTPIRRLGQPQDIANAALFL-CSPAASWVSGQILTVSGGGV
General information:
TITO was launched using:
RESULT:
Template:
1AHI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169208 for 1869 contacts (-90.5/contact) +
2D Compatibility (PS) -24130 + (NN) -10072 + (LL) 720
1D Compatibility (HY) -7200 + (ID) 3200
Total energy: -213090.0 ( -114.01 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_1AHI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AHI-query.scw
PDB file :
Tito_Scwrl_1AHI.pdb
: