Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATYNADAIEVLSGLDPVRKRPGMYTDTTRP---NHLAQEVIDNSVDEALAGHAKSVQVILHQDNSLEVIDDGRGMPVDIHPEEGVPGVELILTKLHAGGKFSNKNYQFSGGLHGVGISVVNALSTRVEVRVKRDANEYRMTFADGFKDSDLEVIGTVGKRNTGTSVHFWPDPKYF-DSAKFSVSRLKHVLKAKAVLCPGLSVVFEDKNTGERV---EWHFEDGLRSYLTDAVAELPRLPDEPFCGNLEGSKEAVSWALLWLPEGGESVQESYVNLIPTAQGGTHVNGLRQGLLDAMREFCEFRNLLPRGVKLAPEDVWERIAFVLSMKMQEPQFSGQTKERLSSREAAAFVSGVVKDAFSLWLNEHAEIGLQLAELAISNAGRRLKAGKKVERKKITQGPALPGKLADCAGQEPMRAELFLVEGDSAGGSAKQARDKEFQAIMPLRGKILNTWEVDGGEVLASQEVHDIAVAIGVDPGASDLAQLRYGKICILADADSDGLHIATLLCALFVRHFRPLVEAGHVYVAMPPLYRIDLGKDIYYALDEAERDGILERLAAEKKRGKPQVTRFKGLGEMNPLQLRETTMDPNTRRLVQLTLEDATGTLEIMDMLLAKKRAGDRKSWLESKGNLAEVLV |
4URO Chain:D ((25-230)) | --------------LEAARKRPGMYIGSTSERGLHHLVWEIVDNSIDEALAGYANQIEVVIEKDNWIKVTDNGRGIPVDI------PAVEVILTV--------------------VGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDK--TGTVIRFKADGEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4URO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -64981 for 1311 contacts (-49.6/contact) +
2D Compatibility (PS) -18983 + (NN) -11548 + (LL) 29976
1D Compatibility (HY) -15600 + (ID) 3750
Total energy: -84886.0 ( -64.75 by residue)
QMean score : 0.464
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