==== 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 3A22 . 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) . 41824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 784 63.9 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 . 80 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 15.3 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 8 1 1 3 1 0 3 3 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 0 136 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.8 18.8 55.2 44.6 2 46 A V + 0 0 92 1,-0.2 3,-0.1 318,-0.1 318,-0.0 -0.773 360.0 157.2 -70.8 110.7 15.3 56.8 43.9 3 47 A T + 0 0 128 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.611 56.2 45.1-120.1 -22.4 16.0 60.2 45.5 4 48 A T S S- 0 0 59 445,-0.0 -1,-0.3 414,-0.0 447,-0.1 -0.998 90.7-116.3-122.1 129.6 13.4 62.6 43.8 5 49 A R E -a 451 0A 137 445,-0.6 447,-2.0 -2,-0.4 2,-0.5 -0.337 20.3-121.4 -71.0 144.3 9.9 61.4 43.5 6 50 A Q E -a 452 0A 44 445,-0.2 2,-0.4 412,-0.0 447,-0.2 -0.717 25.1-135.5 -79.0 127.1 8.2 60.8 40.1 7 51 A I - 0 0 12 445,-3.1 447,-0.2 -2,-0.5 2,-0.2 -0.725 20.7-119.4 -86.4 128.9 5.0 62.9 39.7 8 52 A T - 0 0 84 -2,-0.4 288,-0.2 445,-0.1 287,-0.1 -0.487 28.1-154.3 -69.6 133.9 2.1 61.0 38.2 9 53 A V - 0 0 3 286,-2.6 288,-0.2 -2,-0.2 223,-0.1 -0.733 31.9 -80.9-106.4 159.1 0.8 62.4 34.9 10 54 A P - 0 0 78 0, 0.0 222,-0.4 0, 0.0 2,-0.1 -0.282 46.9-131.9 -60.2 141.9 -2.7 62.0 33.5 11 55 A S - 0 0 49 1,-0.1 282,-0.1 220,-0.1 3,-0.1 -0.427 28.7 -88.3 -83.2 165.3 -3.5 58.7 31.8 12 56 A A - 0 0 3 280,-0.3 -1,-0.1 251,-0.2 254,-0.1 -0.417 58.3 -86.0 -68.1 149.8 -5.2 58.2 28.3 13 57 A P - 0 0 10 0, 0.0 253,-2.3 0, 0.0 2,-0.4 -0.267 40.6-161.9 -55.4 142.9 -9.0 58.1 28.3 14 58 A M E +e 266 0B 5 33,-0.3 36,-2.1 251,-0.2 35,-1.8 -0.967 40.7 83.9-122.0 143.7 -10.7 54.7 29.0 15 59 A G E -ef 267 50B 0 251,-2.8 253,-2.9 -2,-0.4 2,-0.3 -0.959 69.2 -67.9 167.1-149.1 -14.3 54.1 28.0 16 60 A W E -ef 268 51B 0 34,-2.4 36,-3.1 251,-0.3 2,-0.3 -0.983 31.9-161.4-140.2 146.7 -16.6 53.1 25.2 17 61 A A E - f 0 52B 3 251,-2.8 4,-0.3 -2,-0.3 3,-0.3 -0.987 19.4-135.3-136.8 150.4 -17.7 54.9 21.9 18 62 A S S > S+ 0 0 0 34,-1.9 4,-1.5 -2,-0.3 5,-0.4 0.587 81.8 81.0 -80.8 -15.6 -20.6 54.4 19.6 19 63 A W H > S+ 0 0 27 1,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.920 82.7 53.2 -63.1 -56.6 -18.9 54.5 16.1 20 64 A N H 4 S+ 0 0 11 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.832 121.6 28.0 -56.4 -38.7 -17.4 51.0 15.5 21 65 A S H 4 S+ 0 0 32 -4,-0.3 -1,-0.2 248,-0.3 -2,-0.2 0.706 134.8 24.7 -97.5 -22.2 -20.5 49.0 16.1 22 66 A F H >< S- 0 0 38 -4,-1.5 3,-2.1 1,-0.2 -3,-0.2 0.566 75.4-164.2-120.1 -14.5 -23.4 51.4 15.2 23 67 A A T 3< S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.4 88,-0.1 -0.306 76.8 -25.6 51.8-141.1 -22.0 53.9 12.8 24 68 A A T 3 S+ 0 0 1 86,-1.9 2,-2.2 1,-0.2 -1,-0.3 0.467 112.6 106.6 -79.6 0.0 -24.4 56.9 12.6 25 69 A K < + 0 0 111 -3,-2.1 2,-0.3 85,-0.2 -1,-0.2 -0.407 54.3 124.1 -79.3 65.1 -27.3 54.6 13.7 26 70 A I + 0 0 0 -2,-2.2 2,-0.3 30,-0.2 3,-0.0 -0.888 24.4 151.0-126.4 152.9 -27.5 56.0 17.3 27 71 A D > - 0 0 42 -2,-0.3 4,-2.1 1,-0.0 3,-0.4 -0.917 62.5 -72.7-161.4 179.0 -30.2 57.6 19.5 28 72 A Y H > S+ 0 0 50 46,-2.7 4,-2.8 -2,-0.3 5,-0.2 0.882 128.3 50.8 -48.5 -47.1 -30.9 57.8 23.2 29 73 A S H > S+ 0 0 52 45,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.867 107.9 52.8 -66.7 -37.5 -32.1 54.2 23.5 30 74 A V H > S+ 0 0 25 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.943 113.3 43.5 -58.9 -48.6 -28.9 52.9 21.8 31 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.940 111.8 53.5 -65.9 -45.2 -26.7 54.8 24.2 32 76 A K H X S+ 0 0 71 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.904 108.0 49.8 -56.8 -45.1 -28.7 53.8 27.3 33 77 A K H X S+ 0 0 133 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.874 111.6 49.5 -62.9 -36.6 -28.5 50.1 26.5 34 78 A Q H X S+ 0 0 5 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.891 109.1 51.7 -70.3 -39.4 -24.8 50.3 26.0 35 79 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.914 109.9 49.7 -59.6 -44.1 -24.4 52.2 29.3 36 80 A D H X S+ 0 0 53 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.898 113.0 45.5 -65.2 -41.7 -26.4 49.5 31.2 37 81 A A H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.872 110.8 54.2 -65.9 -42.1 -24.2 46.7 29.6 38 82 A F H <>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.2 0.938 114.3 41.7 -51.7 -55.2 -21.0 48.7 30.4 39 83 A V H ><5S+ 0 0 57 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.944 113.4 51.9 -59.8 -49.3 -22.1 48.9 34.1 40 84 A A H 3<5S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.834 106.2 55.4 -62.2 -31.7 -23.4 45.2 34.2 41 85 A A T 3<5S- 0 0 21 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.487 113.5-117.8 -79.1 -4.3 -20.0 44.0 32.9 42 86 A G T <>5 + 0 0 28 -3,-2.0 4,-0.9 -4,-0.2 3,-0.3 0.697 66.9 143.1 74.4 21.9 -18.1 45.8 35.7 43 87 A L H >>X + 0 0 0 -5,-1.9 5,-1.7 1,-0.2 3,-0.8 0.893 62.6 60.8 -60.4 -40.0 -16.2 48.0 33.3 44 88 A P H >45S+ 0 0 44 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.893 101.2 52.0 -58.5 -41.8 -16.3 51.0 35.6 45 89 A A H 345S+ 0 0 101 1,-0.3 -2,-0.2 -3,-0.3 4,-0.0 0.765 104.6 58.0 -64.3 -28.0 -14.4 49.3 38.4 46 90 A A H <<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.8 -3,-0.1 0.620 130.8 -93.6 -73.5 -14.6 -11.7 48.4 35.9 47 91 A G T <<5S+ 0 0 29 -3,-1.3 2,-0.3 -4,-0.7 -33,-0.3 0.276 77.9 142.3 119.2 -11.3 -11.2 52.1 35.1 48 92 A Y < + 0 0 1 -5,-1.7 -1,-0.3 1,-0.2 -33,-0.3 -0.502 14.4 153.8 -65.0 125.7 -13.5 52.5 32.1 49 93 A T + 0 0 48 -35,-1.8 43,-3.2 -2,-0.3 2,-0.3 0.711 35.5 78.1-128.2 -42.4 -15.1 56.0 32.5 50 94 A Y E -fg 15 92B 20 -36,-2.1 -34,-2.4 41,-0.2 2,-0.6 -0.653 45.8-166.1 -87.3 137.3 -16.3 57.7 29.3 51 95 A I E -fg 16 93B 0 41,-2.8 43,-2.8 -2,-0.3 2,-0.6 -0.960 24.1-161.3-114.8 107.3 -19.4 56.9 27.3 52 96 A N E -fg 17 94B 9 -36,-3.1 -34,-1.9 -2,-0.6 2,-0.6 -0.821 14.4-153.5-106.1 120.9 -18.8 58.7 24.0 53 97 A I - 0 0 1 41,-2.8 3,-0.1 -2,-0.6 -36,-0.0 -0.790 25.4-173.4 -90.7 117.2 -21.6 59.6 21.5 54 98 A D > - 0 0 6 -2,-0.6 3,-0.8 1,-0.3 42,-0.2 0.038 40.7 -24.9 -97.4-157.6 -20.0 59.7 18.1 55 99 A E T 3 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.1 -29,-0.1 -0.210 112.4 52.8 -54.7 138.4 -21.3 60.8 14.7 56 100 A G T 3 S+ 0 0 6 2,-0.3 -1,-0.2 40,-0.1 -30,-0.2 0.239 74.6 93.7 123.7 -13.3 -25.1 60.5 14.2 57 101 A W S < S+ 0 0 6 -3,-0.8 2,-0.4 1,-0.1 14,-0.4 0.708 87.3 46.7 -77.8 -23.2 -26.6 62.5 17.1 58 102 A W - 0 0 12 12,-0.1 -2,-0.3 38,-0.1 -1,-0.1 -0.979 56.3-164.7-131.7 125.4 -26.9 65.8 15.1 59 103 A Q - 0 0 62 -2,-0.4 59,-0.2 10,-0.3 11,-0.1 0.277 60.3 -94.1 -95.0 12.4 -28.3 66.4 11.6 60 104 A G S S+ 0 0 13 1,-0.3 59,-0.1 57,-0.2 2,-0.1 0.462 74.9 146.5 95.5 4.6 -26.8 69.9 11.3 61 105 A T - 0 0 70 8,-0.4 8,-2.1 57,-0.1 2,-0.3 -0.440 21.3-179.6 -75.6 142.9 -29.8 72.0 12.4 62 106 A R B -L 68 0C 62 6,-0.3 6,-0.2 -2,-0.1 2,-0.0 -0.986 24.1-122.8-136.9 149.2 -29.4 75.3 14.4 63 107 A D > - 0 0 65 4,-2.5 3,-2.2 -2,-0.3 6,-0.1 -0.204 47.0 -85.5 -78.5-180.0 -32.0 77.7 15.8 64 108 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.679 130.5 54.1 -65.5 -20.4 -32.1 81.4 14.7 65 109 A A T 3 S- 0 0 64 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.302 123.0-105.7 -94.5 8.9 -29.5 82.3 17.4 66 110 A G < + 0 0 12 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.552 69.4 149.7 81.8 7.4 -27.1 79.6 16.0 67 111 A N - 0 0 51 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.580 54.4-108.2 -72.2 135.5 -27.7 77.1 18.8 68 112 A I B -L 62 0C 7 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.385 38.0-162.5 -60.0 130.2 -27.4 73.5 17.9 69 113 A T - 0 0 50 -8,-2.1 -8,-0.4 -2,-0.1 -10,-0.3 -0.938 1.9-158.3-118.5 143.9 -30.8 71.8 17.9 70 114 A V - 0 0 29 -2,-0.4 2,-0.9 -12,-0.1 -12,-0.1 -0.769 28.8-102.2-116.0 164.9 -31.5 68.1 18.0 71 115 A D >> - 0 0 87 -14,-0.4 4,-2.0 -2,-0.3 3,-1.6 -0.766 28.1-162.4 -84.6 106.1 -34.4 65.8 17.0 72 116 A T T 34 S+ 0 0 85 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.640 85.0 72.7 -69.8 -11.8 -36.0 65.0 20.4 73 117 A A T 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.835 113.9 28.0 -62.6 -31.7 -37.8 62.0 18.8 74 118 A E T <4 S+ 0 0 46 -3,-1.6 -46,-2.7 1,-0.2 -45,-0.3 0.740 134.5 35.5 -97.8 -28.1 -34.3 60.4 18.8 75 119 A W S >< S- 0 0 2 -4,-2.0 3,-2.3 -48,-0.2 -1,-0.2 -0.667 81.1-162.5-125.4 71.0 -33.1 62.4 21.9 76 120 A P T 3 S+ 0 0 66 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.323 80.3 18.1 -61.0 135.8 -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 0.405 121.2 -97.4 82.9 -0.5 -35.4 65.5 26.8 78 122 A G X> - 0 0 16 -3,-2.3 3,-1.5 1,-0.2 4,-0.6 -0.164 61.2 -50.6 72.7-176.0 -32.6 66.9 24.5 79 123 A M H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.773 130.1 68.0 -71.2 -23.5 -28.9 66.1 25.0 80 124 A S H 3> S+ 0 0 58 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.744 93.6 62.4 -68.4 -17.0 -28.8 67.0 28.7 81 125 A A H <> S+ 0 0 30 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.888 105.2 43.7 -70.9 -40.7 -31.1 63.9 29.3 82 126 A I H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.4 -2,-0.2 0.875 113.1 51.2 -75.0 -34.9 -28.4 61.5 28.0 83 127 A T H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.878 109.1 52.5 -65.3 -37.3 -25.6 63.2 29.9 84 128 A A H X S+ 0 0 56 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.905 109.3 49.0 -62.2 -41.4 -27.7 63.0 33.1 85 129 A Y H X S+ 0 0 40 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.938 113.0 46.1 -63.8 -49.0 -28.2 59.2 32.6 86 130 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-1.3 0.926 113.9 49.3 -56.8 -48.8 -24.5 58.6 32.0 87 131 A H H ><5S+ 0 0 53 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.810 99.5 66.0 -62.5 -32.2 -23.6 60.8 35.1 88 132 A S H 3<5S+ 0 0 78 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.695 100.3 53.3 -63.6 -18.0 -26.2 58.9 37.2 89 133 A K T <<5S- 0 0 86 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.285 122.7-106.2 -98.4 9.5 -23.9 55.9 36.7 90 134 A G T < 5S+ 0 0 68 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.659 83.1 124.7 75.5 15.7 -20.8 57.7 38.0 91 135 A L < - 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