==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-11 2YGM . COMPND 2 MOLECULE: BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSID . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.A.HIGGINS,E.FICKO-BLEAN,C.WRIGHT,P.J.MELONCELLI,T.L.LOWARY . 703 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 35.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 4 0.6 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 . 60 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 9 5 5 5 11 6 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 . 4 0 0 0 4 2 0 0 0 0 1 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 62 A H 0 0 106 0, 0.0 169,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 84.5 3.6 3.7 11.1 2 63 A M E -A 169 0A 104 167,-0.2 2,-0.4 165,-0.0 167,-0.2 -0.705 360.0-166.5 -93.0 126.4 2.3 3.2 14.6 3 64 A A E -A 168 0A 6 165,-2.4 165,-1.8 -2,-0.4 2,-0.3 -0.913 8.8-168.4-109.9 137.7 -1.3 2.1 15.4 4 65 A S E -A 167 0A 58 -2,-0.4 2,-0.4 163,-0.2 163,-0.2 -0.932 13.0-171.0-127.7 147.0 -2.8 2.3 18.9 5 66 A T E -A 166 0A 48 161,-1.5 161,-2.1 -2,-0.3 2,-0.1 -0.940 21.4-136.5-138.3 115.1 -5.9 1.0 20.6 6 67 A Y E > -A 165 0A 64 -2,-0.4 3,-1.0 159,-0.2 159,-0.3 -0.402 14.1-132.9 -64.2 143.7 -6.9 2.1 24.1 7 68 A L G > S+ 0 0 0 157,-1.9 3,-1.5 1,-0.2 -1,-0.1 0.803 106.1 62.5 -68.1 -30.5 -8.0 -0.7 26.4 8 69 A S G 3 S+ 0 0 7 156,-0.4 -1,-0.2 1,-0.3 20,-0.1 0.595 98.1 57.3 -71.0 -12.5 -11.0 1.5 27.5 9 70 A D G < S+ 0 0 95 -3,-1.0 -1,-0.3 2,-0.1 2,-0.2 0.151 105.9 64.6-100.9 15.5 -12.2 1.3 23.8 10 71 A M S < S- 0 0 29 -3,-1.5 2,-0.5 -5,-0.1 -3,-0.0 -0.647 86.0-103.2-123.2-178.3 -12.3 -2.5 23.9 11 72 A D - 0 0 136 -2,-0.2 61,-0.5 61,-0.1 2,-0.3 -0.959 26.2-139.7-112.3 126.4 -14.1 -5.3 25.7 12 73 A W - 0 0 72 -2,-0.5 59,-0.2 59,-0.1 3,-0.1 -0.626 5.8-145.7 -77.0 140.0 -12.5 -7.2 28.6 13 74 A S S S+ 0 0 75 57,-1.8 2,-0.3 -2,-0.3 58,-0.2 0.711 86.4 0.5 -75.5 -21.9 -13.1 -11.0 28.6 14 75 A S E -L 70 0B 52 56,-1.2 56,-2.6 2,-0.0 2,-0.3 -0.965 63.3-175.4-162.2 153.9 -13.1 -10.7 32.4 15 76 A A E -L 69 0B 33 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.884 3.4-179.9-158.6 120.2 -12.7 -8.1 35.1 16 77 A T - 0 0 71 52,-2.7 2,-0.3 -2,-0.3 46,-0.1 -0.870 4.4-173.3-118.5 155.8 -12.5 -8.3 38.9 17 78 A H - 0 0 11 -2,-0.3 46,-0.2 2,-0.2 47,-0.1 -0.909 31.2-120.7-140.5 169.4 -12.1 -5.7 41.6 18 79 A G S S+ 0 0 7 44,-1.4 2,-0.4 -2,-0.3 136,-0.2 0.230 71.0 113.6-100.7 11.7 -11.6 -5.5 45.4 19 80 A D - 0 0 28 43,-0.2 -2,-0.2 2,-0.1 43,-0.1 -0.696 64.6-138.4 -82.9 136.0 -14.7 -3.5 46.4 20 81 A I S S+ 0 0 161 -2,-0.4 2,-1.1 1,-0.1 -1,-0.1 0.840 86.8 85.4 -62.0 -34.5 -17.2 -5.5 48.5 21 82 A D > - 0 0 55 1,-0.2 3,-0.9 2,-0.1 -2,-0.1 -0.584 59.9-174.5 -72.4 100.1 -20.1 -4.0 46.5 22 83 A K T 3 S+ 0 0 129 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.469 75.3 72.9 -81.3 -2.5 -20.3 -6.4 43.6 23 84 A T T 3 S+ 0 0 120 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.794 86.5 80.3 -74.8 -31.1 -23.0 -4.3 41.8 24 85 A K S < S- 0 0 52 -3,-0.9 2,-0.3 -5,-0.0 -7,-0.1 -0.441 72.0-161.1 -69.9 149.0 -20.2 -1.8 41.1 25 86 A T - 0 0 80 7,-0.2 2,-0.1 -2,-0.1 11,-0.1 -0.849 30.1 -71.4-132.5 167.5 -17.9 -2.6 38.2 26 87 A V - 0 0 7 -2,-0.3 2,-0.4 -11,-0.1 35,-0.2 -0.374 55.6-128.5 -57.7 126.1 -14.5 -1.7 36.7 27 88 A Q E > -B 60 0A 39 33,-2.0 33,-3.0 3,-0.2 3,-0.5 -0.697 9.9-146.3 -92.1 127.8 -14.6 1.8 35.3 28 89 A K E 3 S-B 59 0A 76 -2,-0.4 31,-0.2 1,-0.2 29,-0.0 -0.758 84.3 -4.4 -83.3 131.2 -13.5 2.8 31.8 29 90 A D T 3 S+ 0 0 44 29,-3.0 -1,-0.2 -2,-0.4 30,-0.1 0.816 123.5 70.3 56.1 39.7 -11.9 6.3 31.6 30 91 A A S < S- 0 0 12 -3,-0.5 -3,-0.2 28,-0.2 12,-0.1 -0.947 89.1 -86.0-170.9 154.8 -12.5 7.1 35.3 31 92 A P > - 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.3 -0.344 47.3-112.2 -63.0 155.2 -11.4 6.3 38.9 32 93 A F H > S+ 0 0 0 29,-0.3 4,-1.9 2,-0.2 -7,-0.2 0.918 108.4 34.2 -60.8 -52.4 -13.3 3.3 40.4 33 94 A T H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.940 121.0 45.2 -73.6 -49.7 -15.3 5.1 43.1 34 95 A T H 4>S+ 0 0 15 1,-0.2 5,-1.8 2,-0.2 4,-0.4 0.862 114.2 52.1 -62.0 -37.8 -16.0 8.4 41.4 35 96 A G H ><5S+ 0 0 15 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.926 110.2 46.0 -63.4 -49.2 -16.9 6.6 38.2 36 97 A N H 3<5S+ 0 0 42 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.803 109.3 56.7 -63.9 -31.7 -19.4 4.2 40.0 37 98 A K T 3<5S- 0 0 145 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.568 116.4-116.5 -73.9 -11.7 -20.9 7.3 41.8 38 99 A G T < 5 + 0 0 49 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.454 65.5 146.8 86.8 1.7 -21.6 8.9 38.4 39 100 A E < - 0 0 97 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.0 -0.266 52.1-131.4 -66.5 158.8 -19.2 11.8 39.1 40 101 A H + 0 0 181 -3,-0.1 -1,-0.1 -10,-0.0 -5,-0.1 0.310 55.3 137.9-101.7 8.2 -17.3 13.2 36.2 41 102 A T - 0 0 61 -7,-0.1 2,-0.1 1,-0.1 -3,-0.1 -0.254 44.0-138.6 -58.5 136.2 -13.8 13.2 37.7 42 103 A K - 0 0 96 -12,-0.1 2,-0.3 1,-0.1 -12,-0.1 -0.472 30.3 -78.5 -95.6 167.8 -11.0 12.1 35.3 43 104 A I E -Q 55 0C 0 12,-0.8 12,-2.5 13,-0.2 2,-0.4 -0.507 52.8-176.9 -69.4 121.8 -8.0 9.8 35.9 44 105 A S E +Q 54 0C 6 -2,-0.3 45,-1.9 10,-0.2 2,-0.2 -0.983 7.4 168.3-130.3 128.0 -5.2 11.7 37.7 45 106 A L E -Q 53 0C 1 8,-2.1 8,-2.9 -2,-0.4 2,-0.6 -0.733 37.3-100.3-126.1 175.4 -1.7 10.6 38.7 46 107 A L E -Q 52 0C 9 82,-0.3 84,-3.2 -2,-0.2 6,-0.2 -0.894 35.4-176.6-104.8 114.8 1.6 12.1 39.9 47 108 A T - 0 0 19 4,-3.1 4,-0.4 -2,-0.6 3,-0.3 0.046 52.9 -34.2 -83.4-158.1 4.3 12.7 37.3 48 109 A S S S+ 0 0 29 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 -0.372 125.6 14.2 -66.0 140.9 7.8 14.0 38.2 49 110 A D S S- 0 0 109 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.961 129.0 -61.2 58.9 63.2 8.1 16.5 41.1 50 111 A D S S+ 0 0 118 -3,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.754 90.5 157.1 36.3 39.1 4.7 16.2 42.7 51 112 A K - 0 0 117 -4,-0.4 -4,-3.1 -3,-0.3 2,-0.4 -0.832 38.0-137.4 -95.5 120.8 3.1 17.3 39.5 52 113 A V E -Q 46 0C 54 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.632 21.2-169.2 -78.0 129.3 -0.6 16.2 39.0 53 114 A K E -Q 45 0C 74 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.3 -0.977 8.5-147.9-122.0 137.0 -1.4 15.0 35.5 54 115 A Y E -Q 44 0C 158 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.792 11.0-158.6-105.5 146.5 -4.9 14.3 34.1 55 116 A F E -Q 43 0C 11 -12,-2.5 -12,-0.8 -2,-0.3 3,-0.0 -0.961 19.3-160.0-127.5 140.5 -5.7 11.6 31.5 56 117 A D S S+ 0 0 112 -2,-0.4 2,-0.2 -14,-0.1 -13,-0.2 0.935 81.9 43.9 -75.5 -52.3 -8.6 11.2 29.1 57 118 A K S S+ 0 0 43 -15,-0.1 106,-2.6 -14,-0.0 2,-0.3 -0.641 74.0 91.5-103.1 152.3 -8.2 7.4 28.6 58 119 A G E - C 0 162A 0 104,-0.3 -29,-3.0 -2,-0.2 2,-0.4 -0.905 60.9 -84.8 156.0 178.2 -7.4 4.6 31.0 59 120 A I E -BC 28 161A 0 102,-1.3 102,-3.0 -2,-0.3 2,-0.5 -0.967 30.4-159.0-118.9 134.4 -8.8 1.8 33.3 60 121 A G E +BC 27 160A 0 -33,-3.0 -33,-2.0 -2,-0.4 2,-0.2 -0.956 24.8 147.6-118.6 122.8 -9.9 2.4 36.9 61 122 A T - 0 0 0 98,-3.1 2,-0.5 -2,-0.5 98,-0.4 -0.803 44.4-114.0-139.5 176.0 -10.1 -0.5 39.4 62 123 A V - 0 0 4 -2,-0.2 -44,-1.4 96,-0.2 96,-0.2 -0.993 40.4-119.0-115.7 127.8 -9.7 -1.5 43.1 63 124 A A + 0 0 0 94,-1.7 86,-0.2 -2,-0.5 94,-0.2 -0.226 39.1 164.7 -62.5 151.1 -6.9 -3.9 43.8 64 125 A D B -m 149 0B 55 84,-2.0 86,-4.1 -48,-0.1 3,-0.5 -0.352 59.4 -49.9-137.1-138.5 -7.6 -7.4 45.3 65 126 A S S S- 0 0 93 1,-0.8 84,-0.1 84,-0.2 2,-0.1 -0.385 137.1 -24.8-128.2 59.4 -5.6 -10.6 45.7 66 127 A P S S- 0 0 35 0, 0.0 -1,-0.8 0, 0.0 2,-0.5 0.693 77.0-150.5 -96.2 170.3 -5.3 -9.9 42.8 67 128 A S E - N 0 148B 0 81,-2.7 81,-2.3 -3,-0.5 2,-0.4 -0.817 29.4-163.3 -80.9 132.8 -7.7 -7.7 40.9 68 129 A V E - N 0 147B 34 -2,-0.5 -52,-2.7 79,-0.2 2,-0.5 -0.983 23.1-175.2-129.9 130.5 -7.5 -8.9 37.3 69 130 A I E -LN 15 146B 0 77,-2.3 77,-3.1 -2,-0.4 2,-0.4 -0.993 20.2-166.5-118.7 120.2 -8.6 -7.3 34.1 70 131 A S E -LN 14 145B 2 -56,-2.6 -57,-1.8 -2,-0.5 -56,-1.2 -0.893 8.8-165.1-115.9 138.6 -8.1 -9.6 31.1 71 132 A Y E - 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