Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKKVGTDRVKRGMAQMQKGGVIMDVVNAEQAKIAEEAGAVAVMALERVPSDIRAAGGVARMADPRIVEEVMKAVSIPVMAKARIGHITEARVLEAMGVDYIDESEVLTPADDEFHLLKSDFTVPFVCGCRDIGEALRRIGEGAAMLRTKGEPGTGNIVEAVRHMRQVNGQIRQIAGMTDDELMVAAKNFGAPYELIKEIKTLGKLPVVNFAAGGVATPADAALMMELGADGVFVGSGIFKSDNPAKFASAIVQATTYYTDYELIGKLSKELGSPMKGIEMSRLNPEDRMQDRSF
4ADU Chain:A ((12-280))
---------LKHGWCEMLKGGVIMDVKNVEQAKIAEKAGAIGVMILENIPSELRNTDGVARSVDPLKIEEIRKCISINVLAKVRIGHFVEAQILEELKVDMLDESEVLTMADEYNHINKHKFKTPFVCGCTNLGEALRRISEGASMIRTKGEAGTGNIIEAIKHIRTVNNEIKYLCSLDESEVYNFAKKLRAPIDLILLTRKLKRLPVVNFAAGGIATPADAAMCMQLGMDGVFVGSGIFESENPQKMASSIVMAVSNFNNPKILLNVSLGLGKAMHG-----------------
General information:
TITO was launched using:
RESULT:
Template:
4ADU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -187756 for 2384 contacts (-78.8/contact) +
2D Compatibility (PS) -29977 + (NN) -17652 + (LL) 1664
1D Compatibility (HY) -27600 + (ID) 7550
Total energy: -268871.0 ( -112.78 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_4ADU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ADU-query.scw
PDB file :
Tito_Scwrl_4ADU.pdb
: