==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-10 2XN2 . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS NCFM; . AUTHOR F.FREDSLUND,M.ABOU HACHEM,R.J.LARSEN,P.G.SORENSEN,L.LO LEGGI . 729 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 68 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 2 1 1 0 1 0 1 1 0 1 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 1 3 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 . 7 2 5 4 3 3 2 3 1 1 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 1 2 1 0 0 1 1 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 4 A N 0 0 130 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0-109.4 -5.2 23.9 -23.8 2 5 A L + 0 0 16 1,-0.2 13,-3.2 151,-0.1 2,-0.4 0.686 360.0 48.7 -92.6 -20.2 -4.2 27.5 -22.9 3 6 A I E +A 14 0A 9 11,-0.2 2,-0.4 130,-0.1 11,-0.2 -0.985 62.6 179.8-129.3 129.5 -6.6 29.3 -25.3 4 7 A K E -A 13 0A 91 9,-2.3 9,-2.7 -2,-0.4 2,-0.5 -0.970 14.0-158.5-126.7 143.5 -10.4 28.7 -25.7 5 8 A F E -A 12 0A 43 -2,-0.4 2,-0.8 7,-0.2 7,-0.2 -0.991 7.8-156.8-119.1 123.4 -13.0 30.3 -28.0 6 9 A D E >> -A 11 0A 71 5,-2.8 5,-1.4 -2,-0.5 4,-1.3 -0.897 4.4-167.6 -98.4 107.3 -16.6 30.0 -26.9 7 10 A D T 45S+ 0 0 95 -2,-0.8 -1,-0.1 1,-0.2 5,-0.0 0.562 80.8 58.3 -78.0 -7.4 -18.6 30.4 -30.1 8 11 A Q T 45S+ 0 0 160 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.929 120.6 23.1 -84.2 -51.1 -21.9 30.8 -28.2 9 12 A N T 45S- 0 0 41 2,-0.1 16,-0.2 15,-0.0 -2,-0.2 0.509 103.9-125.8 -94.4 -1.1 -21.1 33.7 -26.0 10 13 A K T <5 + 0 0 89 -4,-1.3 15,-2.3 1,-0.2 2,-0.4 0.908 58.5 145.4 60.7 50.5 -18.3 34.9 -28.4 11 14 A V E < -AB 6 24A 9 -5,-1.4 -5,-2.8 13,-0.2 2,-0.4 -0.959 38.2-155.1-124.4 130.7 -15.6 35.0 -25.7 12 15 A F E -AB 5 23A 0 11,-2.8 11,-2.0 -2,-0.4 2,-0.5 -0.906 12.9-168.8-101.7 136.3 -11.9 34.2 -26.0 13 16 A H E -AB 4 22A 12 -9,-2.7 -9,-2.3 -2,-0.4 2,-0.5 -0.969 9.5-172.4-132.1 114.7 -10.1 33.1 -22.9 14 17 A L E +AB 3 21A 0 7,-2.8 7,-2.1 -2,-0.5 2,-0.3 -0.933 28.6 157.2-100.4 123.9 -6.3 32.8 -22.6 15 18 A H E + B 0 20A 27 -13,-3.2 2,-0.2 -2,-0.5 5,-0.2 -0.998 24.1 163.9-152.7 152.8 -5.4 31.2 -19.3 16 19 A N - 0 0 17 3,-2.2 140,-0.1 -2,-0.3 139,-0.1 -0.687 63.7 -71.3-138.8-163.0 -2.8 29.3 -17.3 17 20 A K S S+ 0 0 213 138,-0.5 22,-0.2 -2,-0.2 3,-0.1 0.719 130.2 35.8 -70.3 -19.2 -2.4 28.6 -13.6 18 21 A Q S S+ 0 0 74 1,-0.2 21,-1.3 139,-0.2 2,-0.3 0.821 118.1 25.1 -99.3 -42.6 -1.3 32.3 -13.0 19 22 A I E - C 0 38A 1 19,-0.3 -3,-2.2 138,-0.2 2,-0.3 -0.889 47.6-160.0-132.5 154.1 -3.3 34.5 -15.3 20 23 A S E -BC 15 37A 0 17,-2.3 17,-2.1 -2,-0.3 2,-0.4 -0.982 6.3-171.1-126.0 144.0 -6.5 34.9 -17.3 21 24 A Y E -BC 14 36A 0 -7,-2.1 -7,-2.8 -2,-0.3 2,-0.4 -0.993 11.7-172.0-131.8 122.7 -7.1 37.3 -20.2 22 25 A L E +BC 13 35A 3 13,-2.8 12,-2.3 -2,-0.4 13,-1.9 -0.973 10.9 164.6-122.9 130.4 -10.7 37.6 -21.5 23 26 A L E -BC 12 33A 0 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.3 -0.957 13.1-162.7-136.2 160.5 -12.0 39.4 -24.6 24 27 A S E -BC 11 32A 9 8,-2.2 8,-2.7 -2,-0.3 2,-0.7 -0.903 26.9-113.3-140.1 165.7 -15.2 39.3 -26.5 25 28 A I E - C 0 31A 28 -15,-2.3 6,-0.2 -2,-0.3 2,-0.1 -0.911 44.0-176.4-100.1 112.4 -17.0 40.1 -29.7 26 29 A E E >> - C 0 30A 10 4,-3.1 4,-1.3 -2,-0.7 3,-1.2 -0.316 40.4 -43.1 -98.8-179.6 -19.6 42.8 -28.9 27 30 A D G >4 S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 -0.068 127.6 19.4 -45.3 142.3 -22.3 44.5 -31.0 28 31 A G G 34 S- 0 0 43 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.697 131.3 -71.6 67.2 20.3 -21.1 45.5 -34.5 29 32 A G G <4 S+ 0 0 19 -3,-1.2 76,-1.9 1,-0.2 2,-0.5 0.852 83.8 166.0 65.2 34.4 -18.2 43.1 -34.4 30 33 A T E << -C 26 0A 5 -4,-1.3 -4,-3.1 -3,-0.8 2,-0.7 -0.739 36.1-131.8 -89.3 126.1 -16.5 45.3 -31.8 31 34 A L E -C 25 0A 8 -2,-0.5 45,-2.2 -6,-0.2 46,-0.5 -0.676 29.7-163.5 -84.8 114.4 -13.6 43.6 -30.1 32 35 A S E -CD 24 75A 2 -8,-2.7 -8,-2.2 -2,-0.7 2,-0.6 -0.720 17.2-134.2-106.7 140.3 -14.0 44.3 -26.3 33 36 A H E +C 23 0A 8 41,-0.9 -10,-0.2 -2,-0.3 3,-0.1 -0.812 28.4 168.1 -91.8 122.3 -11.5 43.9 -23.5 34 37 A L E - 0 0 26 -12,-2.3 2,-0.3 -2,-0.6 -11,-0.2 0.856 53.6 -21.8 -98.4 -43.9 -13.0 42.2 -20.5 35 38 A Y E -C 22 0A 73 -13,-1.9 -13,-2.8 151,-0.1 2,-0.3 -0.975 35.1-175.4-170.3 144.0 -10.2 41.3 -18.1 36 39 A F E +C 21 0A 5 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.935 52.5 77.2-144.7 129.8 -6.6 40.6 -17.5 37 40 A G E S+C 20 0A 1 -17,-2.1 -17,-2.3 -2,-0.3 3,-0.1 -0.972 77.9 4.7 166.8-156.5 -5.4 39.5 -14.0 38 41 A G E S-C 19 0A 21 -2,-0.3 -19,-0.3 -19,-0.2 -20,-0.1 -0.204 85.6 -88.5 -58.0 148.8 -5.3 36.4 -11.8 39 42 A A - 0 0 41 -21,-1.3 2,-0.3 -22,-0.2 -19,-0.2 -0.214 39.0-172.3 -63.8 143.0 -6.5 33.2 -13.4 40 43 A V - 0 0 60 -3,-0.1 3,-0.1 -21,-0.1 -3,-0.0 -0.971 23.4-138.7-127.2 151.3 -10.1 32.0 -13.3 41 44 A K S S+ 0 0 169 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.858 81.4 7.2 -75.7 -35.8 -11.3 28.5 -14.5 42 45 A N - 0 0 116 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.891 60.1-138.5-144.3 166.0 -14.4 29.7 -16.3 43 46 A Y - 0 0 30 -2,-0.3 -32,-0.1 -3,-0.1 -30,-0.0 -0.998 9.8-174.2-133.3 136.1 -16.3 32.8 -17.4 44 47 A N - 0 0 120 -2,-0.4 -1,-0.0 -35,-0.0 -2,-0.0 -0.210 54.9 -92.8-130.8 41.6 -20.1 33.3 -17.2 45 48 A N S > S+ 0 0 87 1,-0.1 3,-1.3 2,-0.1 -2,-0.0 0.501 83.3 129.8 71.3 11.3 -20.9 36.6 -18.9 46 49 A Q T 3 + 0 0 132 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.490 65.2 60.2 -80.2 -5.9 -20.8 38.7 -15.8 47 50 A L T 3 + 0 0 77 2,-0.1 -1,-0.3 -12,-0.0 2,-0.1 0.192 66.5 139.0-105.4 18.1 -18.5 41.3 -17.3 48 51 A K < - 0 0 119 -3,-1.3 3,-0.1 1,-0.1 -14,-0.0 -0.411 64.3-109.6 -55.9 125.2 -20.9 42.3 -20.1 49 52 A Y - 0 0 26 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.358 34.9-102.2 -67.0 134.9 -20.5 46.1 -20.2 50 53 A P - 0 0 85 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.270 30.4-128.7 -57.5 144.5 -23.5 48.0 -18.9 51 54 A R + 0 0 70 -3,-0.1 2,-0.4 17,-0.1 17,-0.2 -0.832 42.3 158.0 -98.6 107.7 -25.6 49.5 -21.6 52 55 A L - 0 0 86 15,-0.8 2,-0.9 -2,-0.8 17,-0.0 -0.989 47.1-120.4-131.4 141.9 -26.2 53.2 -20.9 53 56 A D - 0 0 99 -2,-0.4 2,-0.6 15,-0.0 14,-0.2 -0.755 37.2-168.7 -77.3 106.2 -27.2 56.1 -23.1 54 57 A R > - 0 0 80 -2,-0.9 3,-2.2 12,-0.5 -2,-0.0 -0.906 27.2-109.9-105.4 117.8 -24.2 58.4 -22.6 55 58 A G T 3 S+ 0 0 52 -2,-0.6 3,-0.1 1,-0.3 -1,-0.0 -0.179 98.4 4.9 -51.1 127.1 -24.6 61.9 -24.0 56 59 A F T 3 S+ 0 0 204 1,-0.2 2,-0.9 0, 0.0 -1,-0.3 0.410 96.3 116.1 77.0 3.2 -22.4 62.6 -27.1 57 60 A S < - 0 0 4 -3,-2.2 -3,-0.4 9,-0.1 -1,-0.2 -0.857 59.4-154.9 -98.6 96.3 -21.1 59.0 -27.2 58 61 A G - 0 0 14 -2,-0.9 13,-0.5 1,-0.1 12,-0.4 0.033 2.1-113.5 -78.9-177.5 -22.6 58.1 -30.6 59 62 A N - 0 0 48 10,-0.2 10,-0.1 1,-0.2 -1,-0.1 -0.336 31.3 -70.6-119.4 177.6 -23.6 54.8 -32.1 60 63 A L > - 0 0 28 8,-0.4 3,-2.3 5,-0.3 -1,-0.2 -0.369 66.7 -82.3 -66.2 151.5 -23.0 52.2 -34.8 61 64 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.274 115.3 3.5 -55.5 133.3 -23.9 53.0 -38.4 62 65 A E T 3 S+ 0 0 206 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.522 101.4 135.9 68.4 7.0 -27.6 52.5 -39.1 63 66 A S < - 0 0 46 -3,-2.3 -1,-0.2 1,-0.1 -4,-0.1 -0.635 43.0-169.5 -86.9 144.4 -28.2 51.6 -35.5 64 67 A L + 0 0 168 -2,-0.3 2,-0.9 -3,-0.1 -1,-0.1 0.415 60.8 105.8-101.4 -2.3 -31.1 52.9 -33.4 65 68 A D > - 0 0 59 1,-0.2 3,-0.8 -5,-0.1 -5,-0.3 -0.668 43.9-180.0 -83.9 104.4 -29.6 51.6 -30.2 66 69 A R T 3 S+ 0 0 168 -2,-0.9 -12,-0.5 1,-0.2 -1,-0.2 0.570 70.9 71.9 -77.9 -6.7 -28.2 54.6 -28.2 67 70 A T T 3 S+ 0 0 45 -14,-0.2 -15,-0.8 -16,-0.1 2,-0.4 0.376 87.3 67.7 -97.5 3.4 -27.0 52.5 -25.3 68 71 A F < + 0 0 5 -3,-0.8 -8,-0.4 -17,-0.2 2,-0.4 -0.994 62.2 166.6-121.1 128.5 -24.1 50.9 -27.2 69 72 A S >> - 0 0 3 -2,-0.4 4,-2.4 -10,-0.1 3,-1.5 -0.986 42.0-145.7-145.7 132.6 -21.1 53.1 -28.3 70 73 A R T 34 S+ 0 0 6 -12,-0.4 -11,-0.1 -2,-0.4 13,-0.1 0.572 105.1 63.6 -66.9 -8.0 -17.6 52.5 -29.5 71 74 A D T 34 S+ 0 0 7 -13,-0.5 -1,-0.3 13,-0.2 14,-0.1 0.562 113.9 28.6 -90.7 -12.6 -16.8 55.7 -27.5 72 75 A S T <4 S+ 0 0 5 -3,-1.5 -2,-0.2 -15,-0.1 195,-0.1 0.732 95.7 95.4-113.9 -35.0 -17.7 54.1 -24.2 73 76 A L S < S- 0 0 2 -4,-2.4 2,-0.3 1,-0.1 -5,-0.0 -0.238 78.9-114.5 -60.4 138.1 -17.0 50.3 -24.5 74 77 A P - 0 0 5 0, 0.0 -41,-0.9 0, 0.0 2,-0.3 -0.626 47.0-170.2 -72.8 134.2 -13.7 49.0 -23.3 75 78 A K B -D 32 0A 2 -43,-0.3 110,-0.4 -2,-0.3 -43,-0.3 -0.815 42.0-136.6-133.6 161.2 -11.8 47.7 -26.3 76 79 A E S S- 0 0 0 -45,-2.2 107,-0.8 -2,-0.3 2,-0.3 0.494 94.2 -4.3 -88.5 -9.6 -8.8 45.7 -27.5 77 80 A Y - 0 0 10 -46,-0.5 2,-0.3 105,-0.1 -1,-0.2 -0.960 63.3-170.0-171.6 171.3 -8.2 48.3 -30.3 78 81 A S - 0 0 2 -2,-0.3 12,-1.5 -3,-0.1 2,-0.3 -0.978 2.8-160.9-167.1 167.0 -9.6 51.4 -31.9 79 82 A S B > -e 90 0B 0 -2,-0.3 3,-0.7 10,-0.2 5,-0.3 -0.950 32.7 -92.5-146.8 164.8 -9.2 53.7 -34.8 80 83 A A T 3 S+ 0 0 24 10,-1.4 21,-1.0 -2,-0.3 12,-0.2 -0.618 106.9 39.0 -69.7 146.5 -10.0 57.2 -36.1 81 84 A G T 3 S+ 0 0 53 3,-0.3 -1,-0.2 -2,-0.3 19,-0.1 0.570 88.2 92.5 95.6 7.0 -13.3 57.3 -38.0 82 85 A E S < S- 0 0 11 -3,-0.7 -12,-0.2 2,-0.2 3,-0.1 0.117 105.0 -93.8-118.7 16.7 -15.4 54.8 -35.8 83 86 A M S S+ 0 0 80 1,-0.3 2,-0.4 -13,-0.1 -12,-0.1 0.862 85.8 128.1 71.0 36.6 -17.1 57.2 -33.4 84 87 A D - 0 0 13 -5,-0.3 -1,-0.3 -13,-0.1 -3,-0.3 -0.994 39.1-171.3-120.9 129.4 -14.5 56.8 -30.7 85 88 A F + 0 0 146 -2,-0.4 2,-0.1 -14,-0.1 -14,-0.1 0.298 53.2 104.2-109.4 11.7 -13.0 60.0 -29.3 86 89 A H S S- 0 0 16 1,-0.1 -2,-0.1 -7,-0.1 179,-0.0 -0.376 97.0 -77.0 -70.8 164.3 -10.2 58.4 -27.2 87 90 A T - 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