Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMDQTRTLGKTKLKVKRIGFGANAVGGHNLFPNLND-ETGKDLVRTALDGGVNFIDTAFIYGL--GRSEELIGEVVQE--RGVRNELIIATKGAHKEVDGSIELDNSREFLRSEVEKSLKRLKTDYIDLYYVHFPDGKTPLAEVAGTLKELKDEGKIKAIGASNLDYQQLQDF-----NADGYLEVFQAEYSLIQRDAEKE-LLPYCEKQGISFIPYFPLASGLLTGKF----TQDTVFDDFRKDKPQFQGETFIHNLKKVDKLKAVAEEKQADTAHVALAWLLTRPAIDAIIPGAKRPEQLQDNLKTLNIELTEDEVNFISDIFK
4AUB Chain:C ((34-340))--QYRYCGKSGLRLPALSLGL----WHN-FGHVNALESQRAILRKAFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYDMWPGPYGSGGSRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETASALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNRWVDKSGLLDTLQNNGVGCIAFTPLAQGLLTGKYLNGIPQDSRM-------PKMLTEA---NLNSLRLLNEMAQQRGQSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALN----------------


General information:
TITO was launched using:
RESULT:

Template: 4AUB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1507 -133610 -88.66 -482.34
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain C : 0.78

3D Compatibility (PKB) : -88.66
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.78
QMean score : 0.554

(partial model without unconserved sides chains):
PDB file : Tito_4AUB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AUB-query.scw
PDB file : Tito_Scwrl_4AUB.pdb: