Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKQIPVQDVTPPAKGDTNNNDLYAKREKIYTRAFTGIFRRLRMVGGAALFLLYFGTVWLNWSGRQAVWWDLPERKFYIFGATFWPQDFMLLSWLLIVCAFGLFFITVFAGRVWCGYTCPQSVWTWIYMWCEKVTEGDRNQRIKLDKAPMSGNKLLRKTAKHSLWLLIGLVTGLTFVGYFSPIRELIPELLTGQADGWAYFWVGFFTLATYGNAGWLREQVCIYMCPYARFQSVMFDKDTLIVSYDPRRGEKRGPRKKSLDYKAQGLGDCIDCTMCVQVCPTG-IDIR--DGLQIECIGC---------AACIDACDSIMEKMNYPKGLISYTTEHNLNGQKTHLARPRLIGYAIALVLMISALITAVVLRPLVGFDVSKDRVLYRENELGRIENVYSLKIMNKDQQDHTYILGAKGLEGLTLEGRRELKVAAGDILNLPMELSIEPEKLPSTTNEIVFTIESADDPSIHKEAKSRFIGPRTR |
2IVF Chain:B ((157-240)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PACLAACPTGAIYKRE---DNGIV--------------------LVDQERCKGHRHCVEACPYKAIYFNPVSQTSEKCILCYPRIEKGIANACNRQCPGRVRAFGYLDDTTSHVHKLVKKWKVALPLHAEYGTGPNIYYVPPMGARGFGEDGEITDKTRIPLDVLEGLFGPEVKRVLAVLHTERENMRAGRGSELMDLLISKKWSDRFGGFTNDPLTQS--------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IVF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48586 for 428 contacts (-113.5/contact) +
2D Compatibility (PS) -7139 + (NN) 1191 + (LL) 20804
1D Compatibility (HY) -1600 + (ID) 950
Total energy: -36280.0 ( -84.77 by residue)
QMean score : 0.115
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