==== 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 18-APR-11 2YGL . 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 . 701 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 61.8 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 . 243 34.7 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 . 59 8.4 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 . 25 3.6 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 0 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 8 4 6 6 11 4 1 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 6 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 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 0 170 0, 0.0 169,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 114.3 -15.6 73.5 42.6 2 63 A M E -A 169 0A 97 167,-0.2 2,-0.4 165,-0.0 167,-0.2 -0.824 360.0-164.4-109.5 143.9 -16.3 75.9 39.7 3 64 A A E -A 168 0A 38 165,-2.7 165,-2.1 -2,-0.3 2,-0.4 -0.991 6.2-156.1-127.2 136.2 -16.8 79.7 39.7 4 65 A S E -A 167 0A 55 -2,-0.4 2,-0.5 163,-0.2 163,-0.2 -0.885 3.6-160.6-113.2 142.6 -18.2 81.8 36.9 5 66 A T E -A 166 0A 52 161,-3.0 161,-3.1 -2,-0.4 2,-0.2 -0.988 20.8-132.9-119.5 122.3 -17.8 85.5 36.2 6 67 A Y E > -A 165 0A 64 -2,-0.5 3,-1.6 159,-0.2 159,-0.3 -0.528 8.8-135.6 -74.2 138.4 -20.3 87.2 33.9 7 68 A L G > S+ 0 0 0 157,-1.9 3,-2.0 1,-0.3 -1,-0.1 0.868 107.2 61.5 -58.7 -37.6 -18.9 89.4 31.1 8 69 A S G 3 S+ 0 0 8 156,-0.5 -1,-0.3 1,-0.3 20,-0.1 0.558 101.0 54.2 -67.6 -9.3 -21.6 92.0 32.0 9 70 A D G < S+ 0 0 99 -3,-1.6 -1,-0.3 2,-0.1 2,-0.2 0.390 104.3 71.1 -99.7 -2.0 -19.9 92.1 35.5 10 71 A M S < S- 0 0 23 -3,-2.0 2,-0.6 -4,-0.2 -3,-0.0 -0.626 86.6-110.7-107.1 169.1 -16.5 92.9 33.9 11 72 A D - 0 0 143 -2,-0.2 61,-0.5 61,-0.1 2,-0.1 -0.906 30.8-134.1-101.7 122.1 -15.2 96.0 32.1 12 73 A W - 0 0 71 -2,-0.6 59,-0.3 59,-0.1 3,-0.1 -0.446 5.0-140.6 -70.9 146.1 -14.6 95.6 28.4 13 74 A S S S- 0 0 71 57,-2.2 2,-0.3 1,-0.3 58,-0.2 0.818 87.0 -10.8 -73.4 -33.0 -11.3 96.8 27.0 14 75 A S E -F 70 0B 56 56,-1.1 56,-2.3 2,-0.0 -1,-0.3 -0.971 62.2-165.6-159.6 158.4 -13.3 98.1 24.0 15 76 A A E +F 69 0B 33 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.942 6.9 178.7-151.4 124.8 -16.8 97.8 22.5 16 77 A T - 0 0 69 52,-2.2 2,-0.3 -2,-0.3 48,-0.1 -0.952 5.4-173.2-124.7 150.2 -18.1 98.6 19.1 17 78 A H - 0 0 13 -2,-0.3 46,-0.2 2,-0.2 47,-0.1 -0.861 32.2-119.1-135.0 169.5 -21.7 98.2 17.6 18 79 A G S S+ 0 0 5 44,-1.9 2,-0.3 -2,-0.3 136,-0.1 0.348 72.5 113.3 -94.9 4.5 -23.4 98.7 14.3 19 80 A D - 0 0 28 43,-0.2 -2,-0.2 2,-0.1 5,-0.1 -0.608 65.3-137.7 -79.3 137.4 -25.9 101.4 15.3 20 81 A I S S+ 0 0 166 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 0.749 86.2 84.2 -66.8 -25.2 -25.4 104.8 13.6 21 82 A D > - 0 0 64 1,-0.1 3,-1.0 2,-0.1 -2,-0.1 -0.711 59.6-173.1 -82.6 105.9 -26.1 106.6 16.9 22 83 A K T 3 S+ 0 0 134 -2,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.361 76.7 73.0 -87.7 5.8 -22.7 106.6 18.7 23 84 A T T 3 S+ 0 0 122 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.664 85.5 86.5 -82.5 -20.1 -24.2 108.1 21.9 24 85 A K S < S- 0 0 60 -3,-1.0 2,-0.3 -5,-0.1 -7,-0.1 -0.502 70.7-154.1 -74.8 147.5 -25.7 104.7 22.3 25 86 A T - 0 0 80 -2,-0.2 -9,-0.1 7,-0.2 -2,-0.1 -0.904 27.5 -88.7-124.9 153.4 -23.6 102.0 24.0 26 87 A V - 0 0 6 -2,-0.3 2,-0.3 -11,-0.1 35,-0.2 -0.344 56.8-120.1 -53.3 135.8 -23.4 98.2 24.0 27 88 A Q E -B 60 0A 32 33,-2.7 33,-2.7 3,-0.2 2,-0.5 -0.666 13.6-145.1 -99.0 139.4 -25.8 97.0 26.7 28 89 A K E S-B 59 0A 98 -2,-0.3 31,-0.2 31,-0.2 29,-0.0 -0.884 86.0 -8.4 -98.0 126.3 -25.1 94.9 29.9 29 90 A D S S+ 0 0 50 29,-3.3 -1,-0.2 -2,-0.5 14,-0.2 0.756 124.3 75.4 61.4 30.0 -27.9 92.5 30.9 30 91 A A S S- 0 0 10 -3,-0.3 30,-0.3 28,-0.2 -3,-0.2 -0.977 89.3 -92.9-159.9 152.6 -30.3 93.9 28.2 31 92 A P > - 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.365 46.7-112.3 -61.8 155.2 -30.9 93.9 24.4 32 93 A F H > S+ 0 0 1 29,-0.4 4,-2.0 127,-0.2 -7,-0.2 0.942 107.2 34.7 -59.8 -56.9 -29.1 96.8 22.7 33 94 A T H > S+ 0 0 33 2,-0.2 4,-1.2 1,-0.2 6,-0.2 0.932 123.3 41.3 -71.3 -48.6 -32.0 98.9 21.4 34 95 A T H >>S+ 0 0 14 1,-0.2 5,-2.0 2,-0.2 4,-0.5 0.884 115.8 52.4 -64.5 -40.2 -34.5 98.4 24.3 35 96 A G H ><5S+ 0 0 11 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.883 107.2 51.3 -62.7 -42.1 -31.7 98.7 26.8 36 97 A N H 3<5S+ 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.780 106.3 55.6 -65.4 -28.4 -30.5 102.0 25.4 37 98 A K H 3<5S- 0 0 149 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.605 119.7-112.0 -76.8 -14.4 -34.1 103.3 25.6 38 99 A G T <<5 + 0 0 53 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.435 64.4 153.1 95.4 2.1 -34.1 102.4 29.3 39 100 A E < - 0 0 91 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.352 48.1-136.0 -67.6 145.2 -36.6 99.6 29.0 40 101 A H + 0 0 185 -10,-0.1 -1,-0.1 -2,-0.1 -5,-0.1 0.464 56.7 138.3 -82.8 -2.4 -36.4 96.9 31.7 41 102 A T - 0 0 60 -7,-0.1 2,-0.2 1,-0.1 -3,-0.1 -0.133 47.8-133.7 -48.2 130.1 -36.9 94.1 29.0 42 103 A K - 0 0 96 -12,-0.1 2,-0.2 1,-0.1 -12,-0.2 -0.519 27.4 -90.7 -85.5 155.3 -34.6 91.1 29.6 43 104 A I E -K 55 0C 0 12,-0.8 12,-2.7 -14,-0.2 2,-0.3 -0.452 53.3-179.1 -59.6 130.1 -32.5 89.4 26.9 44 105 A S E -K 54 0C 5 10,-0.2 45,-1.9 -2,-0.2 2,-0.3 -1.000 11.7-175.9-141.4 144.4 -34.5 86.5 25.4 45 106 A L E -K 53 0C 3 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.949 33.3-106.8-135.2 153.1 -33.9 83.9 22.7 46 107 A L E -K 52 0C 16 82,-0.3 84,-3.0 -2,-0.3 6,-0.2 -0.701 43.7-174.6 -76.3 121.7 -35.8 81.2 21.0 47 108 A T > - 0 0 36 4,-3.5 3,-1.2 -2,-0.5 4,-0.2 -0.281 40.6 -42.1-102.3-166.4 -34.6 77.8 22.3 48 109 A S G > S+ 0 0 73 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 -0.253 128.2 22.3 -61.4 148.7 -35.4 74.2 21.2 49 110 A D G 3 S- 0 0 152 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.685 128.5 -79.1 60.8 23.3 -39.1 73.5 20.4 50 111 A D G < S+ 0 0 105 -3,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.739 84.9 155.6 58.6 27.2 -39.5 77.3 19.8 51 112 A K < - 0 0 129 -3,-1.2 -4,-3.5 -4,-0.2 2,-0.5 -0.684 42.4-128.3 -81.0 134.3 -39.7 78.0 23.5 52 113 A V E -K 46 0C 49 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.746 24.9-164.4 -84.9 125.5 -38.7 81.6 24.5 53 114 A K E -K 45 0C 65 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.3 -0.949 5.8-148.0-114.7 132.4 -36.1 81.7 27.2 54 115 A Y E -K 44 0C 149 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.689 9.3-155.1 -97.2 149.7 -35.3 84.8 29.3 55 116 A F E -K 43 0C 15 -12,-2.7 -12,-0.8 -2,-0.3 -2,-0.0 -0.989 17.3-160.1-130.7 130.4 -31.8 85.6 30.7 56 117 A D S S+ 0 0 109 -2,-0.4 2,-0.3 -14,-0.1 -1,-0.1 0.829 82.6 44.0 -70.3 -35.0 -30.9 87.8 33.6 57 118 A K S S+ 0 0 37 -14,-0.1 106,-2.7 -15,-0.1 2,-0.3 -0.839 73.3 88.8-119.4 150.0 -27.3 88.2 32.4 58 119 A G E - C 0 162A 0 -2,-0.3 -29,-3.3 104,-0.3 2,-0.4 -0.927 60.2 -82.8 157.3-177.8 -25.6 88.9 29.0 59 120 A I E -BC 28 161A 0 102,-1.4 102,-2.8 -2,-0.3 2,-0.5 -0.986 31.0-160.3-122.2 129.1 -24.3 91.4 26.5 60 121 A G E +BC 27 160A 0 -33,-2.7 -33,-2.7 -2,-0.4 2,-0.2 -0.946 23.4 152.2-115.0 122.3 -26.5 93.1 23.9 61 122 A T E - C 0 159A 0 98,-2.8 98,-0.7 -2,-0.5 2,-0.4 -0.776 43.0-116.1-133.3 174.6 -25.1 94.6 20.7 62 123 A V E - C 0 158A 4 -2,-0.2 -44,-1.9 96,-0.2 -43,-0.2 -0.992 41.3-117.4-113.1 129.9 -25.9 95.5 17.1 63 124 A A + 0 0 0 94,-1.7 86,-0.2 -2,-0.4 2,-0.2 -0.240 39.6 164.5 -64.2 150.1 -23.8 93.6 14.5 64 125 A D B -g 149 0B 58 84,-1.7 86,-4.0 -48,-0.1 3,-0.5 -0.399 58.6 -55.8-136.1-141.3 -21.4 95.5 12.2 65 126 A S S S- 0 0 87 1,-0.7 84,-0.1 84,-0.2 2,-0.1 -0.354 135.3 -19.9-132.2 58.5 -18.5 94.4 9.9 66 127 A P S S- 0 0 43 0, 0.0 -1,-0.7 0, 0.0 2,-0.5 0.612 76.1-157.5-101.1 165.2 -17.6 93.3 12.6 67 128 A S E - H 0 148B 0 81,-2.4 81,-2.0 -3,-0.5 2,-0.4 -0.812 29.2-161.6 -78.9 132.4 -19.0 94.6 15.8 68 129 A V E - H 0 147B 34 -2,-0.5 -52,-2.2 79,-0.2 2,-0.5 -0.981 23.1-179.1-130.0 126.6 -16.3 93.8 18.4 69 130 A I E -FH 15 146B 0 77,-2.1 77,-3.1 -2,-0.4 2,-0.3 -0.977 19.2-172.8-122.3 116.0 -16.5 93.5 22.2 70 131 A S E -FH 14 145B 2 -56,-2.3 -57,-2.2 -2,-0.5 -56,-1.1 -0.834 11.0-164.7-115.7 147.3 -13.2 92.6 23.8 71 132 A Y E - H 0 144B 3 73,-2.3 73,-2.1 -2,-0.3 2,-0.7 -0.990 22.1-127.8-130.6 138.5 -12.1 91.7 27.4 72 133 A D E + H 0 143B 102 -61,-0.5 71,-0.2 -2,-0.4 -61,-0.1 -0.762 31.6 167.6 -83.0 115.3 -8.6 91.6 29.0 73 134 A I > + 0 0 5 69,-2.5 3,-1.6 -2,-0.7 4,-0.4 0.080 18.6 151.6-116.1 22.0 -8.3 88.2 30.6 74 135 A S T 3 S- 0 0 53 68,-0.8 68,-0.2 1,-0.3 67,-0.1 -0.300 76.0 -8.2 -58.3 130.5 -4.5 88.3 31.3 75 136 A G T 3 S+ 0 0 90 66,-0.4 -1,-0.3 64,-0.2 67,-0.1 0.501 100.1 118.3 61.8 7.0 -3.4 86.3 34.3 76 137 A Q S < S- 0 0 87 -3,-1.6 -2,-0.1 65,-0.3 -1,-0.1 0.708 70.3-136.8 -79.1 -23.5 -7.0 85.7 35.3 77 138 A G + 0 0 42 -4,-0.4 92,-0.3 62,-0.3 2,-0.1 0.718 37.6 168.0 74.6 24.5 -6.8 81.9 34.9 78 139 A F - 0 0 10 -5,-0.4 90,-0.2 1,-0.1 -1,-0.2 -0.433 17.1-174.3 -69.3 145.1 -10.1 81.4 33.1 79 140 A E + 0 0 63 88,-3.1 58,-3.0 1,-0.3 2,-0.3 0.694 61.1 23.9-113.0 -31.1 -10.6 77.9 31.6 80 141 A K E -DE 136 167A 47 87,-2.1 87,-2.8 56,-0.3 2,-0.4 -0.972 53.4-152.0-139.6 151.4 -13.9 78.1 29.6 81 142 A F E -DE 135 166A 0 54,-2.2 54,-2.1 -2,-0.3 2,-0.4 -0.998 22.0-179.0-120.7 130.5 -16.1 80.6 27.9 82 143 A E E +DE 134 165A 39 83,-2.4 83,-2.5 -2,-0.4 2,-0.3 -0.994 12.3 138.8-134.6 137.1 -19.8 79.8 27.7 83 144 A T E -D 133 0A 0 50,-1.7 50,-3.5 -2,-0.4 2,-0.4 -0.978 42.5-121.3-164.0 157.6 -22.8 81.7 26.1 84 145 A Y E -DE 132 162A 63 78,-2.9 78,-2.1 -2,-0.3 2,-0.3 -0.927 33.3-160.7-103.0 134.6 -26.0 81.4 24.1 85 146 A I E +DE 131 161A 0 46,-2.9 46,-2.2 -2,-0.4 2,-0.3 -0.896 30.1 102.7-119.4 149.5 -26.1 83.3 20.8 86 147 A G E S- E 0 160A 0 74,-1.0 74,-2.3 -2,-0.3 2,-0.5 -0.948 70.4 -61.3 169.3-177.6 -28.9 84.5 18.5 87 148 A I E - 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