Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELKRKRLLPYLLLSLLLAYLTHRAYVLYCMAPQADMTNLFAPYTYVFEKITEPPYFYWNTSPLAILSALVGFFVGLLFYLKIRLDGNYRHGEESGSACFATAQELKGFQDEESRNNMIFSREAQMGLFNKRLPFERQLNKNVLVAGLPGDGKTYTYVKPNLMQMNSSFIVTDPKGLLVREVGTMLKENGYQIKIFDLVNLTNSDMFNPFRYMRSELDIDRITEAIVEGTKKGDREGEDFWNQAKLLLNRALLGYLYFDSQVRHYEPNLSMVADLLRNLKRPNEKELSAVEKMFKQLEEKLPGNYACRQWELFNSNFEAETRTGVLSIVATQYSIFDHDAVTNLIKTDTMEMDTWNTEKTAVFVAISETNKAYSFLASTFFTVVFDQLTHSADAIIQGEKKGYELKDLLHVQFYFDEFANCGK-------IPHFNEVLASIRSREMSIKIIIQAISQLDSLYGVPARKSMVNNCATLLFLGTNDEDTMKYFSMRAGKQTIIQTSYSEQRGHRISGTTSRQAHQRDLMTPDEIARIGVDEALVFISKQNVFRDKKAMVSNHPMKDRLANHYQDKTWYHYKRFMEEGAEFIDAVMTGQIPEDRIWAPDMSDYQAFLEENGFDNTRQSAPETSVHNQVPVTNPEMPSESPSQTSETSKKLVDMDTGEIFELPPEDREGFGEVSFDDQRVEI |
2R2A Chain:A ((87-151)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IGSIVIVDEAQDVWPARSAGSKIPENVQWLNTHRHQGIDIFVLTQGPKLLD--------QNLRTLVRKHYHIASNKMGMRTLLEWKICADDPVKMASSAFSSIYTLDKKVYDLYES-------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -35384 for 327 contacts (-108.2/contact) +
2D Compatibility (PS) -6201 + (NN) 945 + (LL) 40652
1D Compatibility (HY) -3200 + (ID) 500
Total energy: -3688.0 ( -11.28 by residue)
QMean score : 0.135
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