==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-MAY-05 2CQY . COMPND 2 MOLECULE: PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SUETAKE,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL . 108 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 9 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 139 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.1 -16.7 -14.5 -44.9 2 2 A S + 0 0 123 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.947 360.0 170.4-139.0 158.7 -13.5 -13.8 -42.9 3 3 A S + 0 0 129 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.964 33.7 64.9-166.2 149.5 -9.8 -14.1 -43.4 4 4 A G - 0 0 74 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.261 41.4-177.9 104.6 131.1 -6.5 -13.1 -41.7 5 5 A S - 0 0 127 2,-0.0 2,-0.3 -2,-0.0 -1,-0.0 -0.982 5.6-177.2-155.6 161.8 -5.0 -14.1 -38.4 6 6 A S - 0 0 123 -2,-0.3 2,-0.2 0, 0.0 0, 0.0 -0.985 6.7-177.6-161.3 153.8 -1.9 -13.4 -36.2 7 7 A G - 0 0 44 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.673 8.5-174.9-162.5 101.6 -0.4 -14.5 -32.9 8 8 A D - 0 0 133 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.975 12.8-177.5 -59.5 -58.6 2.8 -13.1 -31.3 9 9 A K + 0 0 173 1,-0.2 2,-0.6 0, 0.0 -1,-0.1 0.891 27.2 146.2 58.5 41.4 2.9 -15.6 -28.4 10 10 A I + 0 0 111 3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.906 18.8 108.2-115.3 105.8 6.0 -13.9 -27.0 11 11 A E + 0 0 139 -2,-0.6 4,-0.1 -3,-0.1 0, 0.0 -0.961 59.7 30.1-170.1 154.1 6.2 -13.9 -23.2 12 12 A S S > S- 0 0 78 -2,-0.3 3,-1.2 1,-0.2 2,-0.6 0.932 70.6-171.4 56.3 48.9 8.1 -15.4 -20.3 13 13 A K T 3 S- 0 0 136 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.632 71.4 -9.9 -77.1 115.3 11.3 -15.8 -22.4 14 14 A L T 3 S+ 0 0 178 -2,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.785 112.5 118.7 67.7 27.5 13.8 -17.8 -20.5 15 15 A L < + 0 0 96 -3,-1.2 2,-0.4 -4,-0.1 -1,-0.2 -0.987 38.2 178.9-130.7 126.0 11.7 -17.5 -17.4 16 16 A A + 0 0 100 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.0 -0.980 4.6 178.3-130.3 122.2 10.1 -20.4 -15.5 17 17 A K - 0 0 126 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.878 26.3-150.7-121.6 154.1 7.9 -20.0 -12.4 18 18 A K S S+ 0 0 215 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.840 85.7 18.5 -88.6 -39.0 6.1 -22.5 -10.2 19 19 A A S S- 0 0 64 85,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.994 99.3 -83.6-137.2 142.2 3.3 -20.2 -9.0 20 20 A E + 0 0 186 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.171 45.4 179.9 -44.3 103.0 2.0 -16.9 -10.3 21 21 A V + 0 0 80 -2,-0.1 2,-1.2 1,-0.0 -1,-0.2 -0.185 30.3 134.8-103.0 39.5 4.5 -14.5 -8.7 22 22 A N + 0 0 135 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.702 37.1 105.2 -92.4 88.1 2.9 -11.4 -10.2 23 23 A T - 0 0 78 -2,-1.2 21,-0.1 21,-0.0 -2,-0.0 -0.970 67.8-100.3-156.1 166.9 2.7 -9.0 -7.3 24 24 A I - 0 0 96 -2,-0.3 3,-0.2 19,-0.2 -2,-0.0 -0.787 17.6-140.3 -98.8 136.8 4.4 -5.9 -5.8 25 25 A P S S- 0 0 121 0, 0.0 69,-0.2 0, 0.0 2,-0.1 0.511 89.8 -8.9 -69.8 -3.5 6.9 -6.1 -2.9 26 26 A G - 0 0 14 67,-0.1 2,-0.7 0, 0.0 67,-0.1 -0.483 65.7-128.5 165.7 120.4 5.3 -3.0 -1.4 27 27 A F + 0 0 48 65,-0.3 65,-0.6 -3,-0.2 17,-0.0 -0.708 28.0 168.2 -84.0 115.4 2.7 -0.5 -2.5 28 28 A D + 0 0 127 -2,-0.7 -1,-0.1 63,-0.1 65,-0.1 0.239 48.2 100.3-108.0 10.0 4.0 3.0 -2.0 29 29 A G S S- 0 0 22 63,-0.2 2,-0.3 1,-0.1 63,-0.1 0.602 74.9 -98.1 -67.0-133.7 1.2 4.7 -4.0 30 30 A V - 0 0 38 61,-0.1 2,-0.4 59,-0.0 61,-0.2 -0.977 17.4-127.5-158.8 143.8 -1.8 6.3 -2.3 31 31 A V B -A 90 0A 1 59,-0.6 59,-0.7 -2,-0.3 3,-0.1 -0.765 12.3-172.0 -96.7 138.3 -5.4 5.5 -1.4 32 32 A K S S+ 0 0 98 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.848 71.9 2.7 -92.8 -43.1 -8.3 7.7 -2.4 33 33 A D S > S- 0 0 104 1,-0.1 4,-2.0 45,-0.0 3,-0.4 -0.952 76.2-102.0-143.0 161.2 -11.1 6.0 -0.4 34 34 A A H > S+ 0 0 16 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 0.909 120.7 56.4 -47.5 -50.1 -11.6 3.2 2.0 35 35 A E H >> S+ 0 0 136 1,-0.3 4,-1.7 2,-0.2 3,-0.5 0.908 108.2 47.2 -49.8 -47.9 -13.0 1.0 -0.8 36 36 A E H 3> S+ 0 0 78 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.851 105.5 60.3 -63.8 -35.1 -9.8 1.5 -2.8 37 37 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.9 -3,-0.2 -1,-0.2 0.831 104.9 49.8 -61.9 -32.8 -7.7 0.8 0.3 38 38 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 3,-0.7 0.953 104.2 53.9 -52.3 -57.2 -4.5 -4.4 0.4 42 42 A R H 3< S+ 0 0 166 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.878 107.6 52.3 -45.6 -44.9 -5.9 -7.7 -1.0 43 43 A E H 3< S+ 0 0 131 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.885 111.6 45.8 -60.8 -40.1 -3.3 -7.4 -3.7 44 44 A I H << S- 0 0 11 -4,-1.8 -2,-0.2 -3,-0.7 -1,-0.2 0.840 117.4-117.8 -72.3 -34.0 -0.5 -6.9 -1.2 45 45 A G < - 0 0 25 -4,-2.8 50,-0.4 -5,-0.2 -3,-0.1 0.621 42.7 -58.4 95.9 111.0 -1.8 -9.8 1.0 46 46 A Y S S+ 0 0 65 -4,-0.1 2,-0.2 19,-0.1 19,-0.1 -0.208 104.8 62.6 -62.0 153.0 -3.1 -9.4 4.5 47 47 A P S S- 0 0 24 0, 0.0 48,-1.6 0, 0.0 2,-0.4 0.555 75.2-177.8 -69.8 160.7 -2.1 -8.4 7.0 48 48 A V E -BC 64 94A 0 16,-2.9 16,-2.5 46,-0.2 2,-0.3 -0.984 19.3-139.4-133.8 123.9 -1.7 -4.9 5.6 49 49 A M E -BC 63 93A 36 44,-2.4 44,-2.4 -2,-0.4 2,-0.5 -0.582 14.2-156.3 -81.5 140.3 -0.3 -1.9 7.5 50 50 A I E +BC 62 92A 2 12,-1.8 12,-1.2 -2,-0.3 2,-0.2 -0.964 18.7 166.8-122.9 118.6 -1.9 1.5 6.9 51 51 A K E - C 0 91A 43 40,-0.9 40,-2.5 -2,-0.5 2,-0.7 -0.762 41.8 -94.1-123.4 169.9 -0.0 4.7 7.5 52 52 A A E > - C 0 90A 16 38,-0.3 3,-1.3 -2,-0.2 38,-0.3 -0.767 23.4-150.8 -89.7 115.7 -0.6 8.4 6.7 53 53 A S T 3 S+ 0 0 43 36,-1.1 37,-0.2 -2,-0.7 -1,-0.2 0.903 98.4 58.4 -48.1 -48.1 1.2 9.4 3.5 54 54 A A T 3 S- 0 0 37 35,-1.0 -1,-0.3 33,-0.1 36,-0.1 0.838 140.4 -23.8 -52.4 -35.0 1.6 12.9 4.8 55 55 A G S < S+ 0 0 43 -3,-1.3 2,-0.5 34,-0.3 -2,-0.1 0.346 72.3 178.0-139.5 -81.5 3.5 11.4 7.7 56 56 A G + 0 0 30 1,-0.2 -3,-0.1 -6,-0.0 5,-0.1 -0.897 1.4 175.4 107.6-123.7 3.1 7.8 8.8 57 57 A G > - 0 0 49 -2,-0.5 4,-1.1 3,-0.1 -1,-0.2 0.799 40.3-121.4 78.3 108.0 5.1 6.4 11.7 58 58 A G T 4 S+ 0 0 48 2,-0.2 2,-1.1 1,-0.1 3,-0.3 0.850 101.3 76.5 -45.4 -40.5 4.4 2.9 12.9 59 59 A K T 4 S+ 0 0 207 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.634 107.8 15.6 -78.8 99.3 3.7 4.4 16.3 60 60 A G T 4 S+ 0 0 80 -2,-1.1 -1,-0.2 1,-0.5 -2,-0.2 -0.111 103.6 95.3 132.4 -37.8 0.3 5.9 16.0 61 61 A M < - 0 0 47 -4,-1.1 -1,-0.5 -3,-0.3 2,-0.3 -0.022 66.5-122.7 -73.8-176.6 -1.1 4.4 12.8 62 62 A R E -B 50 0A 106 -12,-1.2 -12,-1.8 11,-0.1 2,-0.4 -0.907 10.9-139.6-131.0 158.7 -3.3 1.3 12.5 63 63 A I E -B 49 0A 39 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.917 10.4-152.2-120.9 146.6 -3.1 -2.1 10.8 64 64 A A E -B 48 0A 0 -16,-2.5 -16,-2.9 -2,-0.4 3,-0.1 -0.873 16.9-179.9-117.7 150.4 -5.8 -4.1 9.0 65 65 A W S S+ 0 0 125 -2,-0.3 2,-0.3 1,-0.3 -19,-0.1 0.517 74.2 25.6-120.2 -16.5 -6.2 -7.8 8.5 66 66 A D S >> S- 0 0 81 -18,-0.1 4,-2.7 1,-0.1 3,-1.1 -0.990 88.4 -97.9-149.0 153.6 -9.5 -7.9 6.5 67 67 A D H 3> S+ 0 0 73 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.836 124.9 55.8 -36.0 -45.0 -11.5 -5.7 4.2 68 68 A E H 3> S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.936 111.3 41.3 -56.6 -50.1 -13.5 -4.8 7.3 69 69 A E H <> S+ 0 0 66 -3,-1.1 4,-3.1 1,-0.2 5,-0.4 0.902 108.1 61.2 -65.4 -42.2 -10.5 -3.7 9.2 70 70 A T H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.859 110.8 41.3 -52.8 -38.1 -9.0 -1.9 6.2 71 71 A R H X S+ 0 0 107 -4,-1.8 4,-3.1 -5,-0.3 5,-0.3 0.963 113.4 49.6 -75.1 -55.7 -12.0 0.4 6.2 72 72 A D H X S+ 0 0 96 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.870 118.7 41.6 -51.4 -40.0 -12.4 1.0 9.9 73 73 A G H X S+ 0 0 1 -4,-3.1 4,-3.1 -5,-0.2 -1,-0.2 0.827 112.8 53.3 -78.1 -32.9 -8.7 1.8 10.0 74 74 A F H X S+ 0 0 13 -4,-1.4 4,-2.8 -5,-0.4 5,-0.4 0.906 104.1 55.5 -68.1 -42.9 -8.8 3.8 6.8 75 75 A R H X S+ 0 0 171 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.897 119.7 32.4 -56.8 -42.6 -11.6 6.0 8.0 76 76 A L H X S+ 0 0 91 -4,-1.0 4,-2.7 -5,-0.3 -2,-0.2 0.952 117.8 51.9 -79.5 -55.2 -9.6 7.0 11.1 77 77 A S H X S+ 0 0 13 -4,-3.1 4,-1.9 1,-0.2 -3,-0.2 0.885 114.3 46.1 -48.4 -44.1 -6.1 6.9 9.6 78 78 A S H X S+ 0 0 8 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.919 110.5 51.8 -66.7 -45.0 -7.3 9.2 6.8 79 79 A Q H < S+ 0 0 120 -4,-1.3 4,-0.4 -5,-0.4 -2,-0.2 0.849 107.8 54.7 -60.5 -35.0 -9.1 11.5 9.2 80 80 A E H >X S+ 0 0 126 -4,-2.7 4,-2.9 1,-0.2 3,-2.4 0.967 106.6 47.5 -63.5 -55.1 -5.9 11.8 11.2 81 81 A A H 3X>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.3 4,-1.4 0.808 103.3 65.0 -56.7 -30.4 -3.7 12.9 8.4 82 82 A A H 3<5S+ 0 0 48 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.667 115.9 29.0 -67.2 -15.8 -6.4 15.4 7.4 83 83 A S H <45S+ 0 0 103 -3,-2.4 -2,-0.2 -4,-0.4 -1,-0.2 0.668 119.2 54.3-113.1 -31.4 -5.6 17.1 10.8 84 84 A S H <5S- 0 0 79 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.1 0.989 137.3 -2.2 -68.1 -62.2 -2.0 16.2 11.2 85 85 A F T <5S- 0 0 129 -4,-1.4 -3,-0.2 2,-0.4 -4,-0.1 0.671 102.7-110.1-102.6 -25.0 -0.6 17.5 7.9 86 86 A G S