==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-10 3LRM . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.FERNANDEZ-LEIRO,A.PEREIRA-RODRIGUEZ,M.E.CERDAN,M.BECERRA,J . 1808 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1208 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 11.9 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 . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 129 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 212 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 382 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 1.7 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 20 0 1 11 8 1 7 0 0 8 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 16 4 4 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 . 12 0 4 0 12 4 8 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 . 8 0 0 0 4 0 0 4 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 19 A V 0 0 116 0, 0.0 235,-0.0 0, 0.0 1460,-0.0 0.000 360.0 360.0 360.0 143.8 -23.7 -11.1 7.6 2 20 A S - 0 0 20 235,-0.3 3,-0.1 1462,-0.1 1463,-0.1 -0.930 360.0 -84.6-159.5 154.4 -27.4 -10.5 6.8 3 21 A P - 0 0 73 0, 0.0 2,-0.2 0, 0.0 235,-0.0 -0.252 55.1 -89.0 -62.9 154.2 -29.3 -7.2 6.6 4 22 A S - 0 0 18 1,-0.1 3,-0.3 3,-0.1 234,-0.1 -0.490 35.7-132.4 -57.1 127.4 -30.8 -5.7 9.7 5 23 A Y S S+ 0 0 64 175,-0.6 -1,-0.1 178,-0.3 176,-0.1 0.749 102.7 16.9 -58.2 -25.7 -34.3 -7.2 10.1 6 24 A N S S- 0 0 52 2,-0.3 -1,-0.2 232,-0.2 3,-0.1 0.298 109.2-105.6-132.0 5.6 -35.8 -3.8 10.7 7 25 A G S S+ 0 0 46 1,-0.3 3,-0.3 -3,-0.3 2,-0.2 0.316 86.4 107.0 86.6 -8.1 -33.1 -1.3 9.4 8 26 A L + 0 0 49 1,-0.2 -1,-0.3 230,-0.1 -2,-0.3 -0.522 55.6 42.8 -99.4 167.5 -32.0 -0.3 12.9 9 27 A G + 0 0 10 -2,-0.2 229,-2.5 -3,-0.1 -1,-0.2 0.862 53.4 156.9 66.4 39.1 -28.9 -1.1 15.0 10 28 A L S S+ 0 0 101 -3,-0.3 293,-0.5 227,-0.2 292,-0.3 0.738 81.6 18.3 -63.6 -25.2 -26.4 -0.6 12.1 11 29 A T S S- 0 0 43 226,-0.1 288,-0.1 291,-0.1 229,-0.1 -0.890 113.4 -76.9-129.6 165.0 -24.0 -0.1 14.9 12 30 A P - 0 0 2 0, 0.0 258,-0.1 0, 0.0 -2,-0.1 -0.367 56.3-105.9 -60.4 144.7 -24.5 -1.1 18.6 13 31 A Q - 0 0 5 171,-0.1 259,-1.9 -4,-0.1 2,-0.3 -0.322 32.8-158.3 -69.1 152.4 -26.8 1.2 20.6 14 32 A M E +a 272 0A 7 33,-0.4 36,-2.2 257,-0.2 35,-0.5 -0.971 35.8 85.8-132.5 150.3 -25.5 3.7 23.1 15 33 A G E -ab 273 50A 0 257,-1.9 259,-3.5 -2,-0.3 2,-0.3 -0.954 60.7 -62.1 163.2-144.7 -27.3 5.3 26.0 16 34 A W E -ab 274 51A 0 34,-3.1 36,-3.0 -2,-0.3 2,-0.3 -0.991 23.2-164.2-149.7 147.8 -28.3 5.0 29.7 17 35 A D E - b 0 52A 1 257,-2.4 3,-0.2 -2,-0.3 36,-0.2 -0.998 17.3-145.6-137.7 139.7 -30.4 2.9 32.0 18 36 A N S >>>S+ 0 0 0 34,-1.1 4,-2.3 -2,-0.3 3,-0.9 0.584 80.1 85.0 -79.2 -12.3 -31.6 3.7 35.6 19 37 A W H 3>5S+ 0 0 80 1,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.945 74.9 62.6 -59.3 -59.9 -31.4 0.1 37.0 20 38 A N H 345S+ 0 0 32 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.593 127.7 9.1 -46.0 -20.0 -27.7 -0.3 38.1 21 39 A T H <45S+ 0 0 56 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 0.653 136.1 36.3-127.2 -48.0 -28.1 2.4 40.6 22 40 A F H ><5S+ 0 0 38 -4,-2.3 3,-1.6 1,-0.2 -3,-0.2 0.601 73.9 175.8 -91.8 -14.0 -31.7 3.5 41.1 23 41 A A T 3< - 0 0 36 -2,-0.3 4,-1.9 1,-0.1 47,-0.2 -0.975 50.0 -99.4-169.8 166.6 -39.7 9.3 38.4 28 46 A E H > S+ 0 0 24 45,-2.4 4,-2.5 -2,-0.3 5,-0.2 0.882 123.2 50.1 -61.7 -39.3 -40.3 11.7 35.6 29 47 A Q H > S+ 0 0 114 44,-0.3 4,-3.1 2,-0.2 5,-0.3 0.931 108.4 49.9 -68.0 -48.2 -38.0 14.2 37.3 30 48 A L H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.931 114.9 46.0 -53.5 -47.4 -35.1 11.6 37.8 31 49 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 117.1 41.3 -64.2 -49.6 -35.4 10.7 34.1 32 50 A L H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.897 115.0 49.7 -70.6 -42.7 -35.5 14.2 32.7 33 51 A D H X S+ 0 0 71 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.944 113.4 47.3 -57.3 -49.8 -32.9 15.7 35.0 34 52 A T H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.3 5,-0.2 0.915 110.1 53.1 -57.8 -47.0 -30.5 12.8 34.2 35 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.947 110.8 46.3 -52.1 -52.5 -31.3 13.3 30.5 36 54 A D H X S+ 0 0 68 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.930 112.7 50.8 -55.9 -49.3 -30.4 17.0 30.8 37 55 A R H X S+ 0 0 16 -4,-2.9 4,-2.8 2,-0.2 6,-0.2 0.906 109.0 50.2 -55.2 -47.0 -27.2 16.1 32.7 38 56 A I H <>S+ 0 0 0 -4,-3.1 6,-1.4 1,-0.2 5,-1.2 0.896 114.6 45.5 -60.6 -40.4 -26.2 13.5 30.0 39 57 A S H ><5S+ 0 0 17 -4,-2.3 3,-1.1 -5,-0.2 6,-0.2 0.911 113.2 49.5 -66.8 -43.5 -26.7 16.2 27.4 40 58 A D H 3<5S+ 0 0 111 -4,-3.1 358,-0.6 1,-0.3 -2,-0.2 0.851 106.5 54.7 -67.0 -37.0 -24.9 18.9 29.4 41 59 A L T 3<5S- 0 0 3 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.493 114.8-118.3 -75.5 -4.2 -21.9 16.6 30.1 42 60 A G T < 5S+ 0 0 13 -3,-1.1 4,-0.2 -4,-0.2 -3,-0.2 0.469 83.8 117.6 83.9 2.2 -21.6 16.1 26.3 43 61 A L >>X + 0 0 0 -5,-1.2 5,-1.6 -6,-0.2 3,-1.3 0.846 67.4 61.3 -69.3 -37.1 -22.2 12.4 26.4 44 62 A K G >45S+ 0 0 19 -6,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.925 104.0 49.6 -52.1 -48.0 -25.4 12.6 24.4 45 63 A D G 345S+ 0 0 40 1,-0.3 360,-2.6 -6,-0.2 361,-1.1 0.471 100.6 64.7 -77.3 -2.9 -23.5 14.1 21.5 46 64 A M G <45S- 0 0 0 -3,-1.3 -1,-0.3 358,-0.2 -2,-0.2 0.585 132.9 -85.1 -87.4 -13.9 -20.9 11.2 21.7 47 65 A G T <<5S+ 0 0 14 -3,-1.5 2,-2.8 -4,-0.6 -33,-0.4 0.201 90.4 129.5 129.7 -13.6 -23.7 8.8 20.8 48 66 A Y < + 0 0 1 -5,-1.6 -33,-0.3 1,-0.2 -3,-0.1 -0.383 27.7 141.5 -69.6 69.0 -25.4 8.1 24.2 49 67 A K + 0 0 104 -2,-2.8 42,-2.6 -35,-0.5 2,-0.6 0.771 35.9 89.3 -84.2 -32.6 -28.8 8.8 22.7 50 68 A Y E -bc 15 91A 26 -36,-2.2 -34,-3.1 -3,-0.3 2,-0.8 -0.616 51.8-167.8 -85.2 114.8 -31.0 6.2 24.3 51 69 A I E -bc 16 92A 0 40,-3.0 42,-3.0 -2,-0.6 2,-0.7 -0.878 18.1-162.6 -95.0 107.7 -32.6 7.1 27.6 52 70 A I E -bc 17 93A 1 -36,-3.0 -34,-1.1 -2,-0.8 2,-0.5 -0.851 10.5-157.6-105.3 114.1 -33.9 3.7 28.9 53 71 A L - 0 0 0 40,-3.5 76,-0.2 -2,-0.7 4,-0.1 -0.776 20.2-164.5 -84.5 127.7 -36.5 3.5 31.6 54 72 A D - 0 0 5 -2,-0.5 41,-0.4 1,-0.2 3,-0.1 0.359 32.6 -31.7 -92.9-140.8 -36.4 0.2 33.3 55 73 A D S S+ 0 0 2 1,-0.2 -1,-0.2 39,-0.1 -37,-0.0 -0.115 104.0 47.1 -77.3 173.5 -38.8 -1.7 35.6 56 74 A a S S+ 0 0 0 1,-0.1 -30,-0.2 -31,-0.0 -1,-0.2 0.888 73.3 115.7 65.3 46.1 -41.3 -0.5 38.2 57 75 A W + 0 0 5 -3,-0.1 13,-2.6 38,-0.1 2,-0.2 0.619 56.0 71.3-115.4 -23.6 -42.9 2.2 36.1 58 76 A S E -I 69 0B 2 11,-0.3 11,-0.3 1,-0.1 3,-0.1 -0.517 56.3-158.3 -94.1 163.8 -46.5 0.9 35.7 59 77 A S E - 0 0 69 9,-2.7 2,-0.3 1,-0.4 10,-0.2 0.566 64.0 -69.3-111.9 -20.0 -49.3 0.8 38.3 60 78 A G E -I 68 0B 22 8,-1.1 8,-1.9 47,-0.1 -1,-0.4 -0.974 64.1 -55.4 162.5-156.6 -51.4 -1.8 36.7 61 79 A R E -I 67 0B 62 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.945 46.1-131.7-118.8 141.3 -53.6 -2.3 33.7 62 80 A D > - 0 0 68 4,-2.7 3,-2.2 -2,-0.4 6,-0.1 -0.197 39.3 -83.7 -83.4-179.4 -56.6 -0.2 32.7 63 81 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.758 127.4 54.0 -54.0 -33.6 -60.2 -1.2 31.7 64 82 A D T 3 S- 0 0 130 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.387 117.6-109.1 -84.5 2.6 -59.1 -1.8 28.1 65 83 A G S < S+ 0 0 21 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.0 0.209 79.2 133.1 85.7 -15.3 -56.3 -4.1 29.0 66 84 A F - 0 0 56 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.249 64.4 -93.7 -62.8 153.8 -53.8 -1.4 28.0 67 85 A L E -I 61 0B 6 -6,-0.2 2,-0.4 48,-0.2 -6,-0.2 -0.358 33.0-151.7 -70.9 149.0 -50.9 -0.6 30.3 68 86 A V E -I 60 0B 39 -8,-1.9 -9,-2.7 -2,-0.1 -8,-1.1 -0.990 11.4-134.0-126.4 123.8 -51.1 2.3 32.9 69 87 A A E -I 58 0B 14 -2,-0.4 2,-0.8 -11,-0.3 -11,-0.3 -0.531 34.0-101.5 -75.0 137.8 -48.1 4.3 34.0 70 88 A D >> - 0 0 36 -13,-2.6 4,-3.1 -2,-0.2 3,-1.2 -0.465 33.3-156.7 -63.0 102.6 -47.8 4.9 37.8 71 89 A E T 34 S+ 0 0 130 -2,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.652 87.8 63.5 -64.2 -20.1 -49.0 8.5 38.0 72 90 A Q T 34 S+ 0 0 170 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.900 117.7 29.3 -64.0 -41.6 -47.1 9.2 41.2 73 91 A K T <4 S+ 0 0 41 -3,-1.2 -45,-2.4 1,-0.2 -44,-0.3 0.810 138.0 28.1 -86.0 -35.7 -43.9 8.6 39.3 74 92 A F >< + 0 0 3 -4,-3.1 3,-0.7 -47,-0.2 -1,-0.2 -0.742 64.7 165.8-131.6 84.3 -45.2 9.7 36.0 75 93 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.552 79.8 45.6 -79.2 -8.6 -48.0 12.3 36.4 76 94 A N T 3 S- 0 0 93 1,-0.3 4,-0.2 2,-0.0 2,-0.1 0.407 113.2-112.8-109.1 -0.4 -48.0 13.5 32.8 77 95 A G <> - 0 0 27 -3,-0.7 4,-0.5 1,-0.1 -1,-0.3 -0.262 33.9 -77.1 87.6 177.8 -47.9 10.1 31.1 78 96 A M H >> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-1.1 0.901 122.9 60.6 -83.8 -44.0 -45.0 8.5 29.1 79 97 A G H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.769 100.1 60.2 -53.5 -28.6 -45.4 10.3 25.8 80 98 A H H 3> S+ 0 0 71 -4,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.861 106.4 45.5 -67.1 -38.4 -44.8 13.5 27.7 81 99 A V H <>S+ 0 0 2 -4,-2.1 5,-3.3 2,-0.2 3,-0.6 0.935 111.4 48.3 -68.0 -48.9 -36.4 13.7 25.2 86 104 A H H ><5S+ 0 0 57 -4,-3.3 3,-2.1 3,-0.2 -2,-0.2 0.908 107.8 57.2 -56.2 -42.2 -37.1 14.1 21.4 87 105 A N H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.6 44.5 -59.8 -31.6 -36.9 17.9 21.9 88 106 A N T <<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.161 124.9-105.3 -97.6 15.4 -33.4 17.5 23.4 89 107 A S T < 5S+ 0 0 91 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.705 77.5 133.6 68.1 24.5 -32.5 15.1 20.5 90 108 A F < - 0 0 2 -5,-3.3 2,-0.4 -6,-0.2 -1,-0.2 -0.512 51.4-129.8 -91.3 167.3 -32.7 12.0 22.7 91 109 A L E -c 50 0A 50 -42,-2.6 -40,-3.0 -2,-0.2 2,-0.5 -0.939 22.4-128.4-117.9 147.3 -34.4 8.7 22.0 92 110 A F E -c 51 0A 0 -2,-0.4 34,-3.0 32,-0.3 35,-1.2 -0.814 21.6-172.2-109.5 130.3 -36.8 7.0 24.4 93 111 A G E -cd 52 127A 0 -42,-3.0 -40,-3.5 -2,-0.5 2,-0.2 -0.958 1.1-171.9-124.7 136.4 -36.7 3.5 25.7 94 112 A M E - 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