######################################################################################### #Mutation dataset (mupro.data) used to train MUpro. # #Total number of mutations: 1615. # #Format: (for each entry) # line 1: name (pdb code + chain id) # line 2: length # line 3: sequence # line 4: secondary structure assigned by DSSP. (HGI-helix, EB-Strand, other-coil) # line 5 and 6: binding partners of beta sheets (not used) # line 7: solvent accessibility (SA) assigned by DSSP. # line 8: x, y, z coordinates for Ca atom of each residue. # line 9: mutation information (name, orignal residue, position, substitute residue, # SA, ph value, temperature, energy change(+:stabilize,-:distabilize)). # Notice: # lines 2-8: were derived from PDB (Berman et al., Nucleic Acid Res., 2000). # line 9 was derived from S1615 (Capriotti et al., Bioinformatics, 2004). # #Author: Jianlin Cheng. (jianlinc@uci.edu) #Created date: August, 2004. # #Reference: # # J. Cheng A. Randall, P. Baldi. Prediction of Protein Stability Changes for # Single Site Mutations Using Support Vector Machines. 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SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENL .........B.TTTT.EEE.......TT.SEEEETTTTEEEE.TT..EEEEEE.SS...TT.EEEEEEEESSGGGTTSB....HHHHTSS...SSS.TT.SEEEES.TT.EEEE.TTT..EEEEEE.....SS.SSEEEEEEE.S.TT.TTTTTT..EEEEEEEE.TT..EEEEEEEEEEE.S.HHHHHHHHHH.. 0 0 0 0 0 0 0 0 0 174 0 0 0 0 0 0 53 52 51 0 0 0 0 0 0 0 0 0 0 0 42 41 40 39 0 0 0 0 34 33 32 31 0 0 0 0 0 0 0 0 19 18 17 0 0 0 0 0 0 0 0 0 126 125 124 123 0 0 79 0 0 0 0 0 0 0 0 0 69 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 143 142 141 140 0 0 0 0 0 124 123 122 121 0 0 0 0 0 0 0 0 66 65 64 63 0 0 0 0 0 0 0 0 0 0 52 51 50 49 48 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 70 69 68 67 66 65 64 63 0 0 0 0 0 0 0 0 10 0 0 0 39 40 41 42 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 178 179 180 181 0 0 0 0 0 141 140 139 138 137 0 0 0 0 0 0 0 0 0 0 165 164 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SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENL .........B.TTTT.EEE.......TT.SEEEETTTTEEEE.TT..EEEEEE.SS...TT.EEEEEEEESSGGGTTSB....HHHHTSS...SSS.TT.SEEEES.TT.EEEE.TTT..EEEEEE.....SS.SSEEEEEEE.S.TT.TTTTTT..EEEEEEEE.TT..EEEEEEEEEEE.S.HHHHHHHHHH.. 0 0 0 0 0 0 0 0 0 174 0 0 0 0 0 0 53 52 51 0 0 0 0 0 0 0 0 0 0 0 42 41 40 39 0 0 0 0 34 33 32 31 0 0 0 0 0 0 0 0 19 18 17 0 0 0 0 0 0 0 0 0 126 125 124 123 0 0 79 0 0 0 0 0 0 0 0 0 69 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 143 142 141 140 0 0 0 0 0 124 123 122 121 0 0 0 0 0 0 0 0 66 65 64 63 0 0 0 0 0 0 0 0 0 0 52 51 50 49 48 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 70 69 68 67 66 65 64 63 0 0 0 0 0 0 0 0 10 0 0 0 39 40 41 42 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 178 179 180 181 0 0 0 0 0 141 140 139 138 137 0 0 0 0 0 0 0 0 0 0 165 164 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...EEEEE.STTSSHHHHHHHHHHHH..EEEEHHHHHHHHHHHT.HHHHHHHHHHTTT....HHHHHHHHHHHHHH.GGGGT.EEEES...SHHHHHHHHHHHHHHT....EEEEEE..HHHHHHHHHTEEEETTTTEEEETTTB..SSTTB.TTT..B.B..TT.SHHHHHHHHHHHHHHTTHHHHHHHHHT.EEEEETTS.HHHHHHHHHHHTT.. 0 0 0 84 85 86 87 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 84 85 86 87 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 5 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 6 7 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 141 140 139 138 0 0 0 0 133 132 131 130 0 0 0 141 0 0 0 0 0 0 159 0 0 0 0 0 0 152 0 132 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 113 114 115 116 117 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 112 113 114 115 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 29 30 31 32 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 195 196 197 198 199 0 0 0 0 0 0 0 0 0 0 0 0 0 0 161 0 0 0 0 0 0 0 0 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