Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVKDILKTVDHTLLATTATWPEIQTILDDAMAYETASACIPASYVKKAAEYVSGK-LAICTVIGFPNGYSTTAAKVFECQDAIKNGADEIDMVINLTDVKNGDFDTVEEEIRQIKAACQDHILKVIVETCQLTKEELIELCGVVTRSGADFIKTSTGFSTAGATFEDVEVMAKYVGEGVKIKAAGGISSLEDAEKFIALGASRLGTSRIIKIVKNQKVEEGTY
3NGJ Chain:D ((22-235))
MDKATLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCAELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMVKAKKYDDVEKDVKAVVDASGKALTKVIIECCYLTNEEKVEVCKRCVAAGAEYVKTSTGFGTHGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINNGASRIGASAGIAILNGIH------
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) -159650 for 1938 contacts (-82.4/contact) +
2D Compatibility (PS) -23607 + (NN) -7908 + (LL) 464
1D Compatibility (HY) -17200 + (ID) 4550
Total energy: -212451.0 ( -109.62 by residue)
QMean score : 0.540
(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
: