==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-09 3A23 . COMPND 2 MOLECULE: PUTATIVE SECRETED ALPHA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR Z.FUJIMOTO,H.ICHINOSE,S.KANEKO . 1226 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 789 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 0 0.0 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 . 85 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 6 0 2 3 1 0 2 4 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 8 2 2 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 . 22 5 7 10 6 6 2 0 2 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 . 2 0 0 10 2 0 2 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 45 A A 0 0 139 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 18.6 54.8 44.5 2 46 A V + 0 0 104 1,-0.2 3,-0.1 318,-0.1 318,-0.0 -0.827 360.0 153.2 -85.6 114.9 15.2 56.6 44.1 3 47 A T + 0 0 129 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.608 60.0 43.2-123.8 -22.7 15.9 60.2 45.5 4 48 A T S S- 0 0 57 445,-0.0 -1,-0.3 414,-0.0 447,-0.1 -1.000 89.0-118.9-122.6 131.0 13.3 62.4 43.7 5 49 A R E -a 451 0A 139 445,-0.6 447,-2.0 -2,-0.4 2,-0.5 -0.362 19.7-120.6 -72.5 144.4 9.8 61.2 43.4 6 50 A Q E -a 452 0A 44 445,-0.2 2,-0.4 -2,-0.1 447,-0.2 -0.731 26.0-134.9 -80.0 126.6 8.2 60.6 40.0 7 51 A I - 0 0 11 445,-3.2 447,-0.2 -2,-0.5 2,-0.2 -0.716 20.9-118.3 -84.3 129.4 5.0 62.7 39.6 8 52 A T - 0 0 85 -2,-0.4 288,-0.2 445,-0.1 287,-0.1 -0.460 28.5-155.4 -67.4 134.2 2.0 60.9 38.1 9 53 A V - 0 0 3 286,-2.6 288,-0.2 -2,-0.2 223,-0.1 -0.785 32.1 -80.9-108.6 157.4 0.8 62.2 34.8 10 54 A P - 0 0 77 0, 0.0 222,-0.3 0, 0.0 2,-0.1 -0.247 46.0-133.2 -59.0 142.1 -2.7 61.9 33.4 11 55 A S - 0 0 46 1,-0.1 282,-0.1 220,-0.1 3,-0.1 -0.439 29.1 -88.5 -86.1 164.2 -3.5 58.6 31.6 12 56 A A - 0 0 2 280,-0.3 -1,-0.1 251,-0.3 254,-0.1 -0.398 58.3 -85.3 -67.9 151.4 -5.2 58.1 28.2 13 57 A P - 0 0 11 0, 0.0 253,-2.1 0, 0.0 2,-0.4 -0.265 40.2-162.0 -57.4 144.5 -9.0 58.0 28.2 14 58 A M E +e 266 0B 4 33,-0.2 35,-2.2 251,-0.2 36,-2.2 -0.979 41.1 85.8-122.7 140.6 -10.7 54.6 28.9 15 59 A G E -ef 267 50B 0 251,-2.7 253,-2.9 -2,-0.4 2,-0.3 -0.943 69.4 -71.6 170.7-147.4 -14.4 54.0 28.0 16 60 A W E -ef 268 51B 0 34,-2.4 36,-3.0 251,-0.3 2,-0.3 -0.983 31.5-160.7-142.3 147.4 -16.7 53.0 25.1 17 61 A A E - f 0 52B 3 251,-2.5 4,-0.3 -2,-0.3 3,-0.3 -0.979 19.5-133.2-136.1 149.9 -17.7 54.8 21.9 18 62 A S S > S+ 0 0 0 34,-1.9 4,-1.6 -2,-0.3 5,-0.3 0.575 82.8 80.2 -80.6 -13.1 -20.6 54.3 19.5 19 63 A W H > S+ 0 0 29 3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 82.0 54.1 -66.6 -54.7 -19.0 54.3 16.1 20 64 A N H 4 S+ 0 0 20 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.834 122.7 26.5 -57.2 -37.8 -17.4 50.9 15.5 21 65 A S H 4 S+ 0 0 45 248,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.710 134.7 26.6 -98.0 -22.9 -20.6 48.9 16.1 22 66 A F H >< S- 0 0 46 -4,-1.6 3,-2.0 1,-0.2 -3,-0.2 0.563 75.6-165.8-118.5 -11.1 -23.4 51.3 15.3 23 67 A A T 3< S- 0 0 8 -4,-2.5 -1,-0.2 -5,-0.3 31,-0.1 -0.276 75.7 -26.3 46.7-137.9 -22.0 53.8 12.8 24 68 A A T 3 S+ 0 0 1 86,-1.6 2,-2.2 1,-0.2 -1,-0.3 0.518 113.5 104.4 -81.0 -1.4 -24.5 56.7 12.6 25 69 A K < + 0 0 117 -3,-2.0 2,-0.3 85,-0.2 -1,-0.2 -0.413 54.6 124.5 -80.9 67.8 -27.4 54.5 13.7 26 70 A I + 0 0 0 -2,-2.2 2,-0.3 30,-0.2 3,-0.0 -0.918 24.5 153.6-127.7 150.4 -27.6 55.9 17.2 27 71 A D > - 0 0 46 -2,-0.3 4,-2.1 1,-0.0 3,-0.3 -0.900 61.7 -74.5-155.4-179.7 -30.2 57.4 19.5 28 72 A Y H > S+ 0 0 50 46,-2.8 4,-3.1 -2,-0.3 5,-0.2 0.899 128.7 51.8 -48.0 -48.0 -31.0 57.8 23.2 29 73 A S H > S+ 0 0 54 45,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.878 108.1 51.0 -63.3 -40.7 -32.1 54.1 23.4 30 74 A V H > S+ 0 0 26 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.942 114.6 43.1 -59.5 -49.2 -29.0 52.7 21.8 31 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.941 112.0 53.7 -65.4 -46.8 -26.7 54.7 24.1 32 76 A K H X S+ 0 0 70 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.899 108.5 49.5 -52.7 -46.9 -28.8 53.9 27.2 33 77 A K H X S+ 0 0 130 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.872 111.2 48.7 -63.5 -38.1 -28.6 50.1 26.5 34 78 A Q H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.882 109.6 52.7 -68.9 -38.9 -24.8 50.3 26.0 35 79 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.925 109.7 49.2 -59.1 -46.5 -24.4 52.2 29.3 36 80 A D H X S+ 0 0 52 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.902 113.7 44.8 -62.0 -42.4 -26.4 49.6 31.1 37 81 A A H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.854 110.0 55.6 -69.5 -39.6 -24.3 46.7 29.7 38 82 A F H <>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 4,-0.2 0.921 113.6 41.8 -51.9 -51.4 -21.1 48.7 30.4 39 83 A V H ><5S+ 0 0 58 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.938 113.4 52.3 -63.8 -48.0 -22.1 48.9 34.1 40 84 A A H 3<5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.819 105.8 54.9 -61.7 -33.6 -23.4 45.3 34.2 41 85 A A T 3<5S- 0 0 22 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.473 113.7-117.2 -79.7 -3.8 -20.1 44.0 32.8 42 86 A G T <>5 + 0 0 26 -3,-1.8 4,-0.9 -4,-0.2 3,-0.3 0.684 67.4 142.3 74.5 20.3 -18.1 45.7 35.6 43 87 A L H >>X + 0 0 0 -5,-1.8 5,-1.8 1,-0.2 3,-0.7 0.874 63.7 61.2 -58.9 -39.0 -16.2 48.0 33.2 44 88 A P H >45S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.908 101.2 52.2 -58.1 -40.0 -16.3 51.0 35.5 45 89 A A H 345S+ 0 0 101 -3,-0.3 -2,-0.2 1,-0.3 4,-0.0 0.768 105.1 56.6 -66.2 -27.1 -14.4 49.2 38.3 46 90 A A H <<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.7 -3,-0.1 0.594 130.3 -94.3 -79.3 -11.4 -11.7 48.3 35.8 47 91 A G T <<5S+ 0 0 29 -3,-1.3 2,-0.3 -4,-0.7 -33,-0.2 0.322 76.7 142.2 116.5 -6.5 -11.2 52.0 35.0 48 92 A Y < + 0 0 1 -5,-1.8 -1,-0.3 1,-0.2 -33,-0.3 -0.531 14.7 156.0 -69.4 125.1 -13.5 52.5 32.0 49 93 A T + 0 0 46 -35,-2.2 43,-3.1 -2,-0.3 2,-0.3 0.703 36.2 79.2-125.8 -36.1 -15.1 56.0 32.4 50 94 A Y E -fg 15 92B 20 -36,-2.2 -34,-2.4 41,-0.2 2,-0.6 -0.658 44.8-167.9 -93.1 137.4 -16.3 57.6 29.2 51 95 A I E -fg 16 93B 0 41,-2.7 43,-3.0 -2,-0.3 2,-0.6 -0.961 24.4-163.5-114.7 107.1 -19.4 56.9 27.2 52 96 A N E -fg 17 94B 8 -36,-3.0 -34,-1.9 -2,-0.6 2,-0.7 -0.844 14.5-152.6-107.4 120.1 -18.8 58.7 23.9 53 97 A I - 0 0 1 41,-2.7 3,-0.1 -2,-0.6 -36,-0.0 -0.801 24.3-172.9 -89.1 115.2 -21.5 59.5 21.5 54 98 A D > - 0 0 6 -2,-0.7 3,-0.7 1,-0.3 42,-0.2 0.117 41.4 -23.6 -93.0-153.6 -19.9 59.6 18.0 55 99 A E T 3 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.1 -29,-0.1 -0.240 110.8 52.2 -61.2 140.2 -21.4 60.6 14.6 56 100 A G T 3 S+ 0 0 5 2,-0.3 -1,-0.2 40,-0.1 -30,-0.2 0.293 74.2 94.3 123.1 -8.3 -25.1 60.5 14.1 57 101 A W S < S+ 0 0 6 -3,-0.7 2,-0.4 1,-0.2 14,-0.4 0.666 87.3 46.6 -82.7 -19.4 -26.7 62.4 17.0 58 102 A W - 0 0 12 12,-0.1 -2,-0.3 60,-0.1 -1,-0.2 -0.988 56.8-165.0-135.0 125.9 -26.9 65.7 15.1 59 103 A Q - 0 0 60 -2,-0.4 59,-0.2 10,-0.3 11,-0.1 0.199 60.8 -92.8 -98.7 16.7 -28.2 66.3 11.5 60 104 A G S S+ 0 0 12 1,-0.3 59,-0.2 57,-0.2 2,-0.1 0.399 77.1 145.4 95.5 -1.5 -26.7 69.8 11.1 61 105 A T + 0 0 69 8,-0.3 8,-2.0 57,-0.1 2,-0.3 -0.407 20.8 176.5 -74.3 142.4 -29.7 71.8 12.3 62 106 A R B -L 68 0C 59 6,-0.3 6,-0.2 -2,-0.1 2,-0.0 -0.972 26.8-119.2-138.2 152.9 -29.4 75.0 14.3 63 107 A D > - 0 0 65 4,-2.5 3,-2.0 -2,-0.3 6,-0.1 -0.183 47.7 -85.2 -79.7-179.0 -32.0 77.5 15.6 64 108 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.717 130.3 54.4 -65.8 -20.4 -32.0 81.2 14.5 65 109 A A T 3 S- 0 0 65 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.365 122.5-105.4 -91.9 4.8 -29.5 82.1 17.2 66 110 A G S < S+ 0 0 11 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.521 70.2 147.9 84.4 6.5 -27.1 79.5 15.9 67 111 A N - 0 0 52 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.579 55.9-107.2 -74.5 133.8 -27.7 77.0 18.7 68 112 A I B -L 62 0C 8 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.364 37.5-160.9 -55.6 130.9 -27.4 73.3 17.8 69 113 A T - 0 0 50 -8,-2.0 -10,-0.3 -2,-0.1 2,-0.3 -0.927 2.5-157.5-115.7 144.4 -30.9 71.7 17.7 70 114 A V - 0 0 28 -2,-0.4 2,-0.9 -12,-0.1 -12,-0.1 -0.840 28.3-104.1-118.3 160.5 -31.5 67.9 17.9 71 115 A D >> - 0 0 83 -14,-0.4 4,-2.0 -2,-0.3 3,-1.4 -0.729 28.6-161.4 -80.6 106.8 -34.4 65.7 16.9 72 116 A T T 34 S+ 0 0 86 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.631 85.0 72.2 -71.7 -10.9 -36.1 64.9 20.3 73 117 A A T 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.855 113.7 28.7 -62.8 -34.2 -37.8 61.8 18.8 74 118 A E T <4 S+ 0 0 44 -3,-1.4 -46,-2.8 1,-0.2 -45,-0.3 0.753 134.8 34.7 -92.9 -29.6 -34.3 60.3 18.8 75 119 A W S >< S- 0 0 2 -4,-2.0 3,-2.3 -48,-0.2 -1,-0.2 -0.652 80.9-162.2-126.0 72.4 -33.1 62.3 21.8 76 120 A P T 3 S+ 0 0 65 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.328 80.4 16.4 -60.9 135.8 -36.0 62.8 24.2 77 121 A G T 3 S- 0 0 63 4,-0.1 3,-0.3 3,-0.1 4,-0.2 0.418 121.3 -96.3 81.5 0.6 -35.4 65.6 26.7 78 122 A G X> - 0 0 15 -3,-2.3 3,-1.7 1,-0.2 4,-0.6 -0.123 61.0 -49.6 76.9-179.7 -32.5 66.8 24.5 79 123 A M H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.774 129.6 68.1 -64.9 -25.4 -28.8 66.0 24.9 80 124 A S H 3> S+ 0 0 59 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.722 93.4 62.0 -66.9 -18.0 -28.8 66.9 28.6 81 125 A A H <> S+ 0 0 29 -3,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.869 104.7 44.4 -74.6 -38.1 -31.0 63.8 29.2 82 126 A I H X S+ 0 0 0 -4,-0.6 4,-2.4 -3,-0.5 -2,-0.2 0.883 113.5 50.1 -74.6 -35.9 -28.4 61.4 27.9 83 127 A T H X S+ 0 0 4 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.885 109.5 52.7 -65.1 -37.1 -25.5 63.1 29.8 84 128 A A H X S+ 0 0 57 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.920 110.2 48.0 -63.7 -42.5 -27.7 62.9 33.0 85 129 A Y H X S+ 0 0 39 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.934 113.3 46.6 -61.5 -48.7 -28.2 59.2 32.4 86 130 A I H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-1.4 0.942 114.4 47.7 -59.1 -49.4 -24.5 58.6 31.9 87 131 A H H ><5S+ 0 0 51 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.787 99.6 67.8 -61.3 -30.8 -23.6 60.7 35.0 88 132 A S H 3<5S+ 0 0 80 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.733 100.3 50.8 -63.4 -20.4 -26.2 58.9 37.0 89 133 A K T <<5S- 0 0 85 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.214 124.1-104.9 -99.6 12.6 -23.9 55.8 36.7 90 134 A G T < 5S+ 0 0 66 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.729 82.4 126.1 70.0 24.3 -20.8 57.7 37.8 91 135 A L < - 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