Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIAKMIDHTALKPDTTKEQILTLTKEAREYGFASVCVNPTWVKLSAEQLAGAESVVCTVIGFPLGANTPEVKAFEVKDAIQNGAKEVDMVINIGALKDKDDELVERDIRAVVDVAKGKALVKVIIETCLLTDEEKVRACEIAVKAGTDFVKTSTGFSTGGATAEDIALMRKTVGPNIGVKASGGVRTKEDVEKMIEAGATRIGASAGVAIVSGEKPAKPDNY
3NGJ Chain:A ((25-238))
ATLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCAELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMVKAKKYDDVEKDVKAVVDASGKA-LTKVIIECCYLTNEEKVEVCKRCVAAGAEYVKTSTGFGTHGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINNGASRIGASAGIAILNGI--------
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) -117060 for 1944 contacts (-60.2/contact) +
2D Compatibility (PS) -24151 + (NN) -14699 + (LL) 72
1D Compatibility (HY) -19600 + (ID) 6550
Total energy: -181988.0 ( -93.62 by residue)
QMean score : 0.646
(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
: