Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIAKMIDHTALKPDTTKEQILTLTKEAREYGFASVCVNPTWVKLSAEQLAGAESVVCTVIGFPLGANTPEVKAFEVKDAIQNGAKEVDMVINIGALKDKDDELVERDIRAVVDVAKGKALVKVIIETCLLTDEEKVRACEIAVKAGTDFVKTSTGFSTGGATAEDIALMRKTVGPNIGVKASGGVRTKEDVEKMIEAGATRIGASAGVAIVSGEKPAKPDNY
3NGJ Chain:C ((26-237))
-TLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCAELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMVKAKKYDDVEKDVKAVVD-ASGKALTKVIIECCYLTNEEKVEVCKRCVAAGAEYVKTSTGFGTHGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINNGASRIGASAGIAILNG---------
General information:
TITO was launched using:
RESULT:
Template:
3NGJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117483 for 1945 contacts (-60.4/contact) +
2D Compatibility (PS) -24036 + (NN) -14407 + (LL) 432
1D Compatibility (HY) -20400 + (ID) 6750
Total energy: -182644.0 ( -93.90 by residue)
QMean score : 0.627
(partial model without unconserved sides chains):
PDB file :
Tito_3NGJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NGJ-query.scw
PDB file :
Tito_Scwrl_3NGJ.pdb
: