Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKITILAVGKLKEKYWKQAIAEYEKRLGPYTKIDIIEVPDEKAPENMSDKEIEQVKEKEGQRILAKIKPQSTVITLEIQGKMLSSEGLAQELNQRMTQGQSDFVFVIGGSNGLHKDVLQRSNYALSFSKMTFPHQMMRVVLIEQVYRAFKIMRGEAYHK
1TO0 Chain:A ((3-157))
--INIVTIGKLKEKYLKQGIEEYTKRLSAYAKIDIIELPDEK---------MKIIKDKEGDRILSKISPDAHVIALAIEGKMKTSEELADTIDKLATYGKSKVTFVIGGSLGLSDTVMKRADEKLSFSKMTFPHQLMRLILVEQIYRAFRINRGEPY--
General information:
TITO was launched using:
RESULT:
Template:
1TO0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5066 for 1023 contacts (-5.0/contact) +
2D Compatibility (PS) -15092 + (NN) -3885 + (LL) 500
1D Compatibility (HY) -1200 + (ID) 1550
Total energy: -26293.0 ( -25.70 by residue)
QMean score : 0.243
(partial model without unconserved sides chains):
PDB file :
Tito_1TO0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1TO0-query.scw
PDB file :
Tito_Scwrl_1TO0.pdb
: