Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKINVKYQLKNTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAEPSKHIDQL-IQTLNINHLMK--------QYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
4YMV Chain:A ((17-207))
---------LKGVTLKVN----KGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNIN-KVRQK-VGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEG-MTMVVVTHEMGFAREVGDRVI---
General information:
TITO was launched using:
RESULT:
Template:
4YMV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95994 for 1369 contacts (-70.1/contact) +
2D Compatibility (PS) -19473 + (NN) -8299 + (LL) 1640
1D Compatibility (HY) -16400 + (ID) 3150
Total energy: -141676.0 ( -103.49 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_4YMV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMV-query.scw
PDB file :
Tito_Scwrl_4YMV.pdb
: