==== 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 3LRL . 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 . 452 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 11.5 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 5 0 1 2 2 0 2 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 3 1 2 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 . 2 0 0 0 1 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 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 0 204 0, 0.0 235,-0.1 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 152.1 26.6 42.6 36.4 2 20 A S - 0 0 64 235,-0.3 3,-0.1 178,-0.0 178,-0.0 -0.961 360.0 -94.7-157.1 151.2 25.9 41.3 39.8 3 21 A P - 0 0 116 0, 0.0 2,-0.1 0, 0.0 235,-0.0 -0.301 55.9 -86.4 -60.9 155.8 27.0 38.2 41.8 4 22 A S - 0 0 20 1,-0.1 234,-0.1 3,-0.1 235,-0.1 -0.436 37.5-131.2 -57.6 142.2 24.7 35.2 41.8 5 23 A Y S S+ 0 0 67 175,-0.5 -1,-0.1 233,-0.4 176,-0.1 0.811 100.6 14.2 -72.2 -30.0 22.2 35.7 44.6 6 24 A N S S- 0 0 52 2,-0.2 -1,-0.2 232,-0.2 3,-0.1 0.283 111.2-100.0-126.7 3.5 22.7 32.2 46.1 7 25 A G S S+ 0 0 47 1,-0.3 3,-0.2 2,-0.1 2,-0.1 0.365 90.6 102.4 87.9 -4.6 25.9 31.0 44.4 8 26 A L + 0 0 50 1,-0.2 -1,-0.3 230,-0.1 -2,-0.2 -0.437 52.9 50.9-100.4 178.4 24.1 28.9 41.7 9 27 A G + 0 0 7 -2,-0.1 229,-3.2 -3,-0.1 230,-0.2 0.856 53.1 152.9 64.4 35.3 23.3 29.4 38.0 10 28 A L S S+ 0 0 101 227,-0.2 293,-0.4 -3,-0.2 292,-0.3 0.778 82.1 13.3 -67.1 -26.0 26.9 30.3 37.2 11 29 A T S S- 0 0 41 226,-0.1 288,-0.1 291,-0.1 -1,-0.1 -0.929 112.2 -76.5-132.9 163.4 25.9 29.0 33.8 12 30 A P - 0 0 2 0, 0.0 258,-0.1 0, 0.0 260,-0.1 -0.332 57.4-109.3 -58.6 140.1 22.3 28.2 32.6 13 31 A Q - 0 0 7 171,-0.1 259,-1.9 258,-0.1 2,-0.3 -0.254 30.5-156.8 -66.4 155.9 21.0 25.0 34.0 14 32 A M E +a 272 0A 5 33,-0.4 36,-2.0 257,-0.2 35,-0.6 -0.972 34.8 93.7-131.8 151.9 20.5 21.8 32.0 15 33 A G E -ab 273 50A 0 257,-1.9 259,-3.1 -2,-0.3 2,-0.3 -0.937 60.1 -70.1 168.7-143.7 18.2 18.8 32.5 16 34 A W E -ab 274 51A 0 34,-2.8 36,-3.3 257,-0.3 2,-0.4 -0.994 22.2-154.5-150.0 141.7 14.8 17.3 31.7 17 35 A D E - b 0 52A 1 257,-2.2 4,-0.2 -2,-0.3 36,-0.2 -0.991 14.3-144.5-125.7 130.5 11.2 18.0 32.6 18 36 A N S > S+ 0 0 0 34,-1.6 4,-0.7 -2,-0.4 3,-0.2 0.383 81.3 79.0 -74.8 2.7 8.6 15.2 32.5 19 37 A W H >> S+ 0 0 87 33,-0.2 3,-2.8 3,-0.2 4,-1.7 0.999 71.2 64.6 -76.1 -72.3 5.8 17.4 31.3 20 38 A N H 34 S+ 0 0 48 1,-0.3 -1,-0.2 2,-0.2 257,-0.1 0.500 125.4 20.1 -35.2 -13.6 5.9 18.1 27.5 21 39 A T H 34 S+ 0 0 47 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.446 131.0 34.6-137.4 -9.8 5.4 14.4 27.1 22 40 A F H X< - 0 0 35 -3,-2.8 3,-1.5 -4,-0.7 -3,-0.2 0.514 68.9-174.8-133.2 -4.9 3.9 12.8 30.2 23 41 A A T 3< - 0 0 46 -4,-1.7 31,-0.2 1,-0.2 -2,-0.1 0.037 69.4 -19.3 40.6-140.7 1.5 15.1 32.0 24 42 A a T 3 S+ 0 0 40 1,-0.2 2,-1.7 2,-0.0 -1,-0.2 0.492 111.6 97.1 -74.7 -3.6 -0.0 14.0 35.3 25 43 A D < + 0 0 138 -3,-1.5 2,-0.3 2,-0.0 -1,-0.2 -0.407 57.9 137.5 -87.4 60.8 0.7 10.3 34.7 26 44 A V + 0 0 4 -2,-1.7 2,-0.3 30,-0.3 3,-0.1 -0.733 23.7 167.7-109.3 153.8 4.0 10.3 36.7 27 45 A S > - 0 0 39 -2,-0.3 4,-2.1 1,-0.1 47,-0.2 -0.946 50.8-101.5-150.2 172.5 5.5 7.8 39.1 28 46 A E H > S+ 0 0 20 45,-1.9 4,-2.2 -2,-0.3 5,-0.2 0.897 124.0 51.5 -59.0 -39.6 8.7 7.0 40.9 29 47 A Q H > S+ 0 0 111 44,-0.3 4,-2.7 2,-0.2 5,-0.3 0.923 109.0 46.3 -68.9 -49.3 9.2 4.3 38.3 30 48 A L H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.976 115.5 48.2 -51.5 -56.6 8.7 6.6 35.2 31 49 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.815 116.1 41.2 -59.4 -39.2 11.0 9.2 36.7 32 50 A L H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.874 112.6 52.8 -80.0 -39.1 13.8 6.8 37.6 33 51 A D H X S+ 0 0 74 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.926 114.1 44.6 -56.2 -48.0 13.6 4.7 34.4 34 52 A T H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.894 110.6 53.5 -63.2 -45.9 14.0 7.9 32.4 35 53 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.935 108.5 50.3 -50.4 -50.6 16.7 9.1 34.7 36 54 A D H X S+ 0 0 76 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.918 110.2 51.0 -55.7 -47.3 18.6 5.8 34.0 37 55 A R H X S+ 0 0 15 -4,-2.1 4,-2.9 2,-0.2 6,-0.2 0.881 106.9 52.0 -54.7 -46.8 18.1 6.4 30.3 38 56 A I H <>S+ 0 0 1 -4,-2.5 6,-1.7 2,-0.2 5,-1.1 0.861 114.0 44.5 -65.2 -36.9 19.5 10.0 30.4 39 57 A S H ><5S+ 0 0 18 -4,-1.9 3,-2.1 4,-0.2 6,-0.3 0.953 113.1 50.2 -66.8 -52.2 22.6 8.6 32.1 40 58 A D H 3<5S+ 0 0 108 -4,-3.2 358,-0.5 1,-0.3 -2,-0.2 0.889 107.2 54.8 -55.0 -42.9 22.9 5.7 29.8 41 59 A L T 3<5S- 0 0 3 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.483 113.4-119.0 -72.1 -2.4 22.6 7.9 26.7 42 60 A G T < 5S+ 0 0 12 -3,-2.1 4,-0.3 -5,-0.1 -3,-0.2 0.473 83.6 117.7 79.2 1.9 25.6 10.1 28.0 43 61 A L >>X + 0 0 0 -5,-1.1 5,-1.8 -6,-0.2 3,-1.2 0.891 68.3 57.9 -69.4 -41.7 23.3 13.2 28.2 44 62 A K G >45S+ 0 0 11 -6,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.945 106.3 48.7 -47.8 -52.6 23.8 13.5 32.1 45 63 A D G 345S+ 0 0 38 1,-0.3 360,-1.5 -6,-0.3 361,-1.4 0.525 102.9 63.2 -76.8 -2.6 27.6 13.7 31.7 46 64 A M G <45S- 0 0 0 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.634 134.0 -84.4 -85.5 -19.7 27.1 16.3 29.0 47 65 A G T <<5S+ 0 0 19 -3,-1.8 2,-2.1 -4,-0.8 -33,-0.4 0.222 92.7 124.7 136.3 -11.7 25.4 18.6 31.6 48 66 A Y < + 0 0 1 -5,-1.8 -33,-0.2 1,-0.2 -3,-0.1 -0.456 29.1 138.7 -80.5 73.7 21.8 17.5 31.7 49 67 A K + 0 0 50 -2,-2.1 42,-3.6 -35,-0.6 2,-0.7 0.642 36.5 88.4 -99.7 -20.6 21.8 16.9 35.5 50 68 A Y E -bc 15 91A 26 -36,-2.0 -34,-2.8 -3,-0.3 2,-0.8 -0.756 53.0-167.1 -88.3 112.9 18.5 18.2 36.7 51 69 A I E -bc 16 92A 0 40,-2.9 42,-3.1 -2,-0.7 2,-0.7 -0.874 18.0-158.9 -93.9 107.9 15.6 15.7 36.6 52 70 A I E -bc 17 93A 2 -36,-3.3 -34,-1.6 -2,-0.8 2,-0.4 -0.823 10.9-155.9-103.2 111.7 12.6 18.0 37.1 53 71 A L - 0 0 0 40,-2.9 76,-0.2 -2,-0.7 4,-0.1 -0.679 23.2-165.7 -78.2 132.9 9.3 16.5 38.4 54 72 A D - 0 0 6 -2,-0.4 41,-0.3 1,-0.3 3,-0.3 0.018 32.2 -27.2-107.6-153.2 6.5 18.8 37.2 55 73 A D S S+ 0 0 6 1,-0.2 -1,-0.3 39,-0.1 41,-0.0 0.122 106.3 42.1 -56.7 171.0 2.8 19.3 38.1 56 74 A a S S+ 0 0 0 1,-0.1 -30,-0.3 -31,-0.1 -1,-0.2 0.692 71.2 118.4 69.6 26.9 0.4 16.6 39.5 57 75 A W + 0 0 5 -3,-0.3 13,-2.7 38,-0.1 2,-0.2 0.628 58.1 71.7 -95.1 -17.3 2.6 14.9 42.0 58 76 A S E -I 69 0B 1 11,-0.3 11,-0.3 1,-0.1 3,-0.1 -0.508 55.8-157.2-103.9 167.5 0.7 15.7 45.3 59 77 A S E - 0 0 66 9,-2.9 2,-0.3 1,-0.3 10,-0.1 0.461 61.1 -83.3-120.3 -8.2 -2.5 14.4 46.8 60 78 A G E -I 68 0B 18 8,-0.8 8,-2.0 47,-0.1 2,-0.4 -0.997 63.2 -45.0 144.2-142.7 -3.3 17.4 49.1 61 79 A R E -I 67 0B 64 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.969 43.7-128.4-129.7 147.3 -2.1 18.3 52.6 62 80 A D > - 0 0 62 4,-2.4 3,-1.7 -2,-0.4 6,-0.1 -0.068 45.8 -83.8 -77.8-174.5 -1.8 16.4 55.9 63 81 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.729 129.9 54.9 -67.8 -21.1 -3.2 17.4 59.3 64 82 A D T 3 S- 0 0 142 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.356 121.6-105.2 -89.4 3.0 -0.2 19.7 59.9 65 83 A G S < S+ 0 0 20 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.527 74.4 144.5 86.7 8.9 -0.8 21.6 56.6 66 84 A F - 0 0 48 1,-0.1 -4,-2.4 52,-0.0 -1,-0.3 -0.518 58.1-100.5 -88.9 142.7 2.2 19.9 55.0 67 85 A L E -I 61 0B 5 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.365 35.6-153.3 -58.1 139.2 2.3 18.9 51.3 68 86 A V E -I 60 0B 36 -8,-2.0 -9,-2.9 -3,-0.1 -8,-0.8 -0.979 8.2-136.8-119.2 119.1 1.6 15.2 50.8 69 87 A A E -I 58 0B 14 -2,-0.5 -11,-0.3 -11,-0.3 2,-0.3 -0.494 39.9 -91.9 -69.5 142.0 3.1 13.4 47.8 70 88 A D > - 0 0 30 -13,-2.7 4,-2.8 -2,-0.2 7,-0.2 -0.397 33.7-152.1 -57.2 117.1 0.6 11.0 46.1 71 89 A E T 4 S+ 0 0 131 -2,-0.3 -1,-0.2 1,-0.2 6,-0.1 0.735 93.2 52.5 -70.2 -20.5 1.2 7.6 47.7 72 90 A Q T 4 S+ 0 0 163 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.913 118.0 35.9 -75.9 -44.6 0.1 5.7 44.6 73 91 A K T 4 S+ 0 0 37 1,-0.3 -45,-1.9 -16,-0.1 -44,-0.3 0.777 134.9 25.3 -78.9 -30.9 2.5 7.6 42.4 74 92 A F >< + 0 0 4 -4,-2.8 3,-0.9 -47,-0.2 -1,-0.3 -0.677 66.9 171.0-136.5 78.0 5.3 7.9 44.9 75 93 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.671 84.1 42.0 -63.7 -19.5 5.0 5.0 47.5 76 94 A N T 3 S- 0 0 97 1,-0.3 4,-0.3 2,-0.0 3,-0.1 0.474 114.6-116.3-104.1 -5.0 8.3 5.8 49.1 77 95 A G <> - 0 0 23 -3,-0.9 4,-0.9 -7,-0.2 -1,-0.3 -0.178 33.0 -74.5 87.3 173.0 8.0 9.6 49.1 78 96 A M H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.871 123.5 64.0 -75.6 -39.0 10.0 12.2 47.3 79 97 A G H > S+ 0 0 5 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.824 102.2 52.8 -54.3 -35.7 13.1 12.0 49.5 80 98 A H H > S+ 0 0 70 -4,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.860 107.7 49.4 -69.1 -37.9 13.5 8.5 48.4 81 99 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.936 109.8 53.8 -63.2 -47.7 13.4 9.6 44.7 82 100 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 41,-0.3 -2,-0.2 0.908 107.6 49.6 -49.2 -52.8 16.0 12.3 45.6 83 101 A D H X S+ 0 0 54 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.901 109.7 50.3 -58.7 -48.5 18.4 9.7 47.0 84 102 A H H X S+ 0 0 89 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.932 112.8 47.3 -53.1 -48.1 18.2 7.4 44.0 85 103 A L H ><>S+ 0 0 2 -4,-2.3 5,-3.0 1,-0.2 3,-0.8 0.915 112.6 48.9 -60.0 -46.6 18.9 10.4 41.7 86 104 A H H ><5S+ 0 0 51 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.805 104.6 59.1 -64.5 -35.3 21.8 11.5 43.9 87 105 A N H 3<5S+ 0 0 140 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.709 107.7 46.3 -69.1 -19.4 23.2 8.0 43.9 88 106 A N T <<5S- 0 0 54 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.082 124.6-105.7-105.1 25.2 23.4 8.2 40.1 89 107 A S T < 5S+ 0 0 78 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.719 76.8 136.3 59.7 27.6 25.0 11.7 40.3 90 108 A F < - 0 0 3 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.631 51.2-130.0 -91.7 160.0 21.7 13.5 39.2 91 109 A L E -c 50 0A 61 -42,-3.6 -40,-2.9 -2,-0.2 2,-0.5 -0.825 23.4-132.4-104.9 149.1 20.1 16.6 40.7 92 110 A F E -c 51 0A 0 -2,-0.3 34,-2.9 -42,-0.2 35,-1.0 -0.911 18.4-168.9-115.7 120.9 16.4 16.6 41.6 93 111 A G E -cd 52 127A 0 -42,-3.1 -40,-2.9 -2,-0.5 2,-0.3 -0.801 3.9-176.3-106.0 143.5 13.8 19.2 40.7 94 112 A M E - d 0 128A 0 33,-2.2 35,-2.8 -2,-0.3 2,-0.3 -0.775 13.9-132.5-127.0-179.7 10.2 19.7 41.9 95 113 A Y E + d 0 129A 0 -41,-0.3 2,-0.3 -2,-0.3 35,-0.2 -0.974 27.1 149.7-138.5 143.0 7.4 22.0 41.1 96 114 A S E - d 0 130A 1 33,-2.2 35,-3.0 -2,-0.3 2,-0.4 -0.886 34.3-115.4-148.4-172.4 4.8 24.2 42.8 97 115 A S E - d 0 131A 0 33,-0.3 12,-2.6 -2,-0.3 2,-2.5 -0.997 17.3-126.2-132.5 136.8 2.9 27.5 41.9 98 116 A A S S+ 0 0 0 33,-2.3 2,-0.3 -2,-0.4 4,-0.1 -0.444 90.0 64.5 -71.1 65.1 2.9 30.9 43.5 99 117 A G S S- 0 0 0 -2,-2.5 11,-1.8 36,-0.1 36,-0.3 -0.951 104.3 -78.8-167.6-176.8 -0.9 30.7 43.9 100 118 A E S S+ 0 0 89 34,-2.8 8,-2.1 -2,-0.3 2,-0.3 0.816 112.3 16.0 -66.2 -35.8 -3.7 28.9 45.5 101 119 A Y B S-J 107 0C 104 32,-0.3 8,-0.1 33,-0.3 2,-0.1 -0.906 82.0-109.7-131.6 162.3 -3.5 26.0 43.1 102 120 A T > - 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