Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAIN--HSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQL-DYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
1BYI Chain:A ((3-211))
RYFVTGTDTEVGKTVASCALLQAAKAAGYRTAGYKPVASGSEKTPEGLRNSDAL-ALQRNSSLQ--LDYATVNPYTFAEPTSPHIISAQEGR--PIESLVMSAGLRALEQQADWVLVEGAGGWFTPLSDTFTFADWVTQEQLPVILVVGVKLGCINHAMLTAQVIQHAGLTLAGWVANDVTPPGKRHAEYMTTLTRM---IPAPLLGEIPWLAENPENAAT
General information:
TITO was launched using:
RESULT:
Template:
1BYI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131856 for 1688 contacts (-78.1/contact) +
2D Compatibility (PS) -21719 + (NN) -6659 + (LL) 396
1D Compatibility (HY) -4800 + (ID) 2500
Total energy: -167138.0 ( -99.02 by residue)
QMean score : 0.382
(partial model without unconserved sides chains):
PDB file :
Tito_1BYI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BYI-query.scw
PDB file :
Tito_Scwrl_1BYI.pdb
: