Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATYNADAIEVLSGLDPVRKRPGMYTDTTRPNHLAQEVIDNSVDEALAGHAKSVQVILHQDNSLEVIDDGRGMPVDIHPEEGVPGVELILTKLHAGGKFSNKNYQFSGGLHGVGISVVNALSTRVEVRVKRDANEYRMTFADGFKDSDLEVIGTVGKRNTGTSVHFWPDPKYFDSAKFSVSRLKHVLKAKAVLCPGLSVVFEDKNTGERVEWHFEDGLRSYLTDAVAELPRLPDEPFCGNLEGSKEAVSWALLWLPEGGESVQESYVNLIPTAQGGTHVNGLRQGLLDAMREFCEFRNLLPRGVKLAPEDVWERIAFVLSMKMQEPQFSGQTKERLSSREAAAFVSGVVKDAFSLWLNEHAEIGLQLAELAISNAGRRLKAGKKVERKKITQGPALPGKLADCAGQEPMRAELFLVEGDSAGGSAKQARDKEFQAIMPLRGKILNTWEVDGGEVLASQEVHDIAVAIGVDPGASDLAQLRYGKICILADADSDGLHIATLLCALFVRHFRPLVEAGHVYVAMPPLYRIDLGKDIYYALDEAERDGILERLAAEKKRGKPQVTRFKGLGEMNPLQLRETTMDPNTRRLVQLTLEDATGTLEIMDMLLAKKRAGDRKSWLESKGNLAEVLV |
4KQV Chain:B ((8-217)) | -------SIEVLTGLDPVKKRPGMYTNIENPNHLIQEIIDNSVDEVLAGFASKINITLYEDNSIEVADDGRGMPVDIHPEHKMSGIELIMTKLHSGGK--------------VGVSVVNALSTRLEAEIKRDGNVYHIVFEDGFKTKDLEIIDNVGKKNTGTKIRFWPNKKYFDDIKVNFKALKNLLEAKAILCKALTIKYSNEIKKEKLTWHFETG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KQV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53481 for 1501 contacts (-35.6/contact) +
2D Compatibility (PS) -21683 + (NN) -15061 + (LL) 29368
1D Compatibility (HY) -22400 + (ID) 5950
Total energy: -89207.0 ( -59.43 by residue)
QMean score : 0.485
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