Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSFDEALQRVGEFGRFQRRVFLLLCLTGVTFAFLFVGVVFLGTQPDHYWCRGPSAAALAERCGWSPEEEWNRTAPASRGPEPPERRGRCQRYLLEAANDSASATSALSCADPLAAFPNRSAPLVPCRGGWRYAQAHSTIVSEFDLVCVNAWMLDLTQAILNLGFLTGAFTLGYAADRYGRIVIYLLSCLGVGVTGVVVAFA---PNFPVFVIFRFLQGVFGKGTWMTCYVIVTEIVGSKQRRIVGIVIQMFFTLGIIILP--GIAYFIPN---WQGIQLAITLPSFLFLLYYWVVPESPRW-LITRKKGDKALQILRRIAKCNGKYLSSNYSEITVTDEEV---SNPSFLDLVRTPQMRKCTLILMFAWFTSAVVYQGLVMRLGIIGGNLYIDFFI---------------SGVVELPGALLILLTIERLGRR-LPFAASNIVAGVACLVTAFLP--EGIAWLRTTVATLGRLGITMAFE-----IVYLVNSELYPTTLR--------------NFGVSLCSGLCDFGGIIAPFLLFRLAAVWLELPLIIFGILASICGGLVMLLPETKGIALPETVDDVEKLGSPHSCKCGRNKKTPVSRSHL |
4PYP Chain:A ((66-455)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------SLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTAD--VTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILI--------AVVLQ-LSQQLSGINAVFYYSTSIFEKAGVQQPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWM-SYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVE--QLCGPYVF-----IIFTVLLVLFFIFTYFK------VPET------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -273953 for 2562 contacts (-106.9/contact) +
2D Compatibility (PS) -34252 + (NN) -2837 + (LL) 13112
1D Compatibility (HY) -38400 + (ID) 4850
Total energy: -341180.0 ( -133.17 by residue)
QMean score : 0.279
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