Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSPSPVRILFVDDEERILRSLAMQFRRHY-EVLTESDPRRALERLKTERIQVLVSDQRMPQMSGAELLAQARERYPETLRILLTGYSDLDAAVDALNDGGIFRYLTKPWNPQEMAFTLRQAAEIASRQGLPAPPAATLAAPLSVLLLDDDPETLDCVGAFCHAGGHRLLRARNLAEALVWLNTEPVEVLVSDLKLAGEHTAPLLKSLAQAHPRLLSLVVTPFRDTQALLELINQAQIFRYLPKPIRRGLFEKGLKAAAEQALLWRGRSLPEVDRLAEVPRDEREKERVGSLLGMLGRLRERLTA |
2QR3 Chain:A ((4-125)) | -------IIIVDDNKGVLTAVQLLLKNHFSKVITLSSPVSLSTVLREENPEVVLLDMNFTSNEGLFWLHEIKRQYRDLPVVLFTAYADIDLAVRGIKEGA-SDFVVKPWDNQKLLETLLNAASQA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53952 for 887 contacts (-60.8/contact) +
2D Compatibility (PS) -13323 + (NN) -13643 + (LL) 13992
1D Compatibility (HY) -10000 + (ID) 1700
Total energy: -78626.0 ( -88.64 by residue)
QMean score : 0.680
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