==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 27-DEC-10 2L7Y . COMPND 2 MOLECULE: PUTATIVE ENDO-BETA-N-ACETYLGLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR T.WANG,G.YUAN,J.ZHANG,X.TU . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 28.1 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 1 1.1 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 . 9 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 2 0 1 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 . 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 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 1 A S 0 0 151 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.6 2.1 0.0 -1.2 2 2 A P - 0 0 107 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.332 360.0-134.4 -69.8 150.5 2.6 2.8 -3.9 3 3 A K + 0 0 123 -2,-0.0 2,-0.3 32,-0.0 32,-0.0 -0.888 38.5 154.9-112.6 103.2 -0.2 3.7 -6.2 4 4 A T - 0 0 95 -2,-0.7 32,-1.6 1,-0.0 33,-0.3 -0.790 31.0-129.5-123.1 166.6 0.9 4.1 -9.8 5 5 A I E +A 35 0A 58 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.343 20.9 172.3-103.9-173.1 -0.8 3.8 -13.2 6 6 A L E + 0 0 143 28,-1.1 2,-0.3 1,-0.5 29,-0.1 0.224 60.5 55.9-158.8 -59.4 0.0 2.0 -16.5 7 7 A G E -A 34 0A 39 27,-0.9 27,-2.0 2,-0.0 -1,-0.5 -0.700 61.6-160.4 -94.4 144.2 -2.6 2.1 -19.1 8 8 A I E -A 33 0A 63 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.949 5.0-167.8-125.1 144.3 -4.0 5.4 -20.5 9 9 A E E -A 32 0A 139 23,-1.7 23,-2.0 -2,-0.4 2,-0.4 -0.989 22.0-127.7-135.1 126.2 -7.3 6.1 -22.4 10 10 A V E +A 31 0A 88 -2,-0.4 21,-0.2 21,-0.2 -2,-0.0 -0.559 39.0 154.7 -73.6 125.8 -8.2 9.3 -24.3 11 11 A S + 0 0 57 19,-0.6 19,-0.5 -2,-0.4 2,-0.4 -0.005 25.3 131.0-140.5 28.7 -11.5 10.7 -23.2 12 12 A Q - 0 0 27 17,-0.2 17,-0.3 20,-0.0 16,-0.1 -0.736 40.0-155.2 -90.7 132.2 -11.2 14.4 -24.0 13 13 A E - 0 0 102 15,-2.9 3,-0.3 -2,-0.4 2,-0.2 -0.729 26.6 -94.4-106.4 155.7 -14.0 16.0 -25.9 14 14 A P S S+ 0 0 82 0, 0.0 64,-0.1 0, 0.0 62,-0.1 -0.475 80.5 92.7 -69.7 130.8 -13.9 19.1 -28.2 15 15 A K + 0 0 116 62,-0.3 64,-0.4 -2,-0.2 11,-0.1 -0.166 31.6 172.7-173.9 -80.1 -14.8 22.4 -26.5 16 16 A K + 0 0 4 -3,-0.3 63,-1.4 1,-0.2 2,-0.5 0.947 24.1 175.0 44.3 70.7 -12.1 24.6 -24.9 17 17 A D E -c 79 0B 68 61,-0.2 2,-0.4 8,-0.2 -1,-0.2 -0.933 7.8-179.9-112.3 121.4 -14.4 27.5 -24.1 18 18 A Y E -c 80 0B 6 61,-0.9 63,-1.5 -2,-0.5 2,-0.2 -0.956 14.9-144.5-122.9 139.1 -13.0 30.5 -22.1 19 19 A L E >> -c 81 0B 53 4,-0.4 3,-2.2 -2,-0.4 4,-0.8 -0.668 39.1 -79.8 -99.8 155.5 -14.8 33.7 -21.0 20 20 A V T 34 S+ 0 0 69 61,-1.3 -1,-0.1 1,-0.3 63,-0.0 -0.202 117.9 4.8 -52.1 136.4 -13.4 37.2 -20.9 21 21 A G T 34 S+ 0 0 92 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.720 114.7 91.6 58.8 20.0 -11.3 37.7 -17.7 22 22 A D T <4 S- 0 0 80 -3,-2.2 -2,-0.2 1,-0.1 -1,-0.1 0.584 70.0-164.6-115.0 -21.9 -11.9 34.0 -17.0 23 23 A S < - 0 0 86 -4,-0.8 -4,-0.4 34,-0.1 -1,-0.1 -0.058 49.8 -7.8 62.3-169.5 -8.8 32.6 -18.7 24 24 A L + 0 0 44 -6,-0.1 -5,-0.1 1,-0.1 -6,-0.1 -0.002 58.2 159.3 -50.6 161.1 -8.5 28.9 -19.5 25 25 A D + 0 0 90 -7,-0.1 -8,-0.2 0, 0.0 -1,-0.1 0.145 10.8 175.3-177.8 33.4 -11.2 26.5 -18.1 26 26 A L + 0 0 17 1,-0.2 18,-0.0 -10,-0.1 -8,-0.0 -0.303 10.6 158.4 -55.5 126.5 -11.1 23.3 -20.2 27 27 A S + 0 0 77 -14,-0.1 -1,-0.2 3,-0.1 -14,-0.0 0.631 69.3 55.0-120.6 -33.5 -13.6 20.8 -18.7 28 28 A E S S+ 0 0 47 1,-0.2 -15,-2.9 -15,-0.1 2,-1.8 0.681 88.8 85.8 -76.4 -18.3 -14.3 18.5 -21.6 29 29 A G + 0 0 11 -17,-0.3 16,-1.9 2,-0.0 2,-0.3 -0.517 63.4 135.1 -85.3 72.8 -10.6 17.8 -22.0 30 30 A R E - B 0 44A 89 -2,-1.8 -19,-0.6 -19,-0.5 2,-0.3 -0.872 39.2-150.9-121.0 154.1 -10.2 15.0 -19.5 31 31 A F E -AB 10 43A 22 12,-1.6 12,-1.1 -2,-0.3 2,-0.6 -0.930 10.3-135.8-125.3 148.8 -8.4 11.7 -19.6 32 32 A A E -AB 9 42A 33 -23,-2.0 -23,-1.7 -2,-0.3 2,-0.4 -0.909 20.4-168.5-108.0 119.3 -9.1 8.4 -17.9 33 33 A V E -AB 8 41A 10 8,-2.0 8,-1.7 -2,-0.6 2,-0.5 -0.867 12.1-143.0-108.9 139.6 -6.2 6.5 -16.3 34 34 A A E -AB 7 40A 37 -27,-2.0 -28,-1.1 -2,-0.4 -27,-0.9 -0.886 15.3-152.1-104.6 123.1 -6.3 2.9 -15.1 35 35 A Y E > -A 5 0A 49 4,-3.3 3,-0.7 -2,-0.5 4,-0.4 -0.429 23.1-122.6 -88.1 164.9 -4.3 2.0 -12.0 36 36 A S T 3 S+ 0 0 91 -32,-1.6 -31,-0.1 1,-0.2 -1,-0.1 0.573 107.6 69.3 -82.0 -9.9 -2.8 -1.3 -11.1 37 37 A N T 3 S- 0 0 79 -33,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.066 123.9 -97.4 -95.0 23.8 -4.8 -1.3 -7.8 38 38 A D S < S+ 0 0 151 -3,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.970 86.9 120.3 60.1 56.9 -8.1 -1.8 -9.8 39 39 A T - 0 0 58 -4,-0.4 -4,-3.3 2,-0.0 2,-0.4 -0.986 46.0-155.4-152.8 139.8 -9.0 1.9 -9.7 40 40 A M E -B 34 0A 150 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.910 6.6-165.3-118.7 145.1 -9.6 4.6 -12.3 41 41 A E E -B 33 0A 108 -8,-1.7 -8,-2.0 -2,-0.4 2,-0.4 -0.995 1.3-163.3-132.8 133.9 -9.3 8.4 -12.1 42 42 A E E +B 32 0A 107 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.930 14.0 165.8-118.5 140.1 -10.6 11.1 -14.4 43 43 A H E -B 31 0A 104 -12,-1.1 -12,-1.6 -2,-0.4 2,-0.5 -0.987 24.7-142.2-153.4 141.0 -9.5 14.8 -14.5 44 44 A S E S-B 30 0A 30 -2,-0.3 -14,-0.3 -14,-0.3 -16,-0.1 -0.916 83.9 -19.3-109.8 125.3 -10.0 17.7 -16.9 45 45 A F S S+ 0 0 100 -16,-1.9 -1,-0.2 -2,-0.5 -15,-0.1 0.846 114.8 101.4 49.6 36.9 -7.1 20.1 -17.6 46 46 A T + 0 0 68 -3,-0.2 -1,-0.1 1,-0.0 -2,-0.1 0.773 55.5 70.4-110.9 -63.2 -5.6 18.9 -14.3 47 47 A D > - 0 0 77 1,-0.1 3,-0.5 -4,-0.1 -2,-0.0 -0.268 69.4-142.2 -60.2 144.2 -2.8 16.4 -15.0 48 48 A E T 3 S+ 0 0 169 1,-0.2 -1,-0.1 -3,-0.0 3,-0.0 0.078 80.2 96.8 -95.6 22.9 0.4 17.9 -16.5 49 49 A G T 3 S+ 0 0 31 1,-0.1 2,-0.5 20,-0.1 21,-0.4 0.749 73.8 64.9 -82.0 -25.0 0.9 14.9 -18.7 50 50 A V S < S- 0 0 39 -3,-0.5 2,-0.5 19,-0.1 19,-0.2 -0.887 70.0-159.9-105.1 124.1 -0.8 16.5 -21.7 51 51 A E E -D 68 0C 140 17,-1.7 17,-1.9 -2,-0.5 2,-0.4 -0.876 6.0-149.1-105.8 131.2 0.9 19.6 -23.3 52 52 A I E -D 67 0C 54 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.830 14.2-174.2-101.4 134.4 -1.1 21.9 -25.5 53 53 A S E +D 66 0C 83 13,-1.3 13,-1.4 -2,-0.4 3,-0.1 -0.987 61.9 31.9-130.3 136.6 0.6 23.8 -28.4 54 54 A G S S+ 0 0 55 -2,-0.4 2,-0.5 1,-0.3 10,-0.2 0.081 81.8 118.8 110.3 -22.8 -0.9 26.5 -30.6 55 55 A Y - 0 0 43 8,-0.1 2,-0.8 11,-0.1 -1,-0.3 -0.664 51.6-153.1 -82.1 125.7 -3.2 28.0 -28.1 56 56 A D > - 0 0 98 -2,-0.5 3,-1.9 3,-0.4 -1,-0.0 -0.837 12.6-175.3-103.1 100.7 -2.5 31.7 -27.3 57 57 A A T 3 S+ 0 0 67 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.734 87.5 60.0 -64.2 -22.0 -3.7 32.5 -23.8 58 58 A Q T 3 S+ 0 0 185 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.324 122.5 18.1 -87.8 7.4 -2.8 36.1 -24.5 59 59 A K S < S+ 0 0 169 -3,-1.9 -3,-0.4 4,-0.0 -1,-0.3 -0.442 73.8 179.8-179.2 97.3 -5.2 36.2 -27.5 60 60 A T + 0 0 40 -3,-0.3 19,-0.1 -2,-0.1 -3,-0.1 -0.524 27.0 115.5-100.2 169.3 -8.1 33.7 -28.0 61 61 A G S S- 0 0 31 17,-0.3 18,-0.2 -2,-0.2 20,-0.0 0.443 92.1 -16.4 130.9 84.4 -10.7 33.5 -30.7 62 62 A R S S+ 0 0 203 16,-1.2 2,-0.3 1,-0.2 17,-0.2 0.951 88.2 162.5 64.0 51.1 -10.9 30.5 -33.1 63 63 A Q E - E 0 78C 59 15,-1.5 15,-2.3 -7,-0.0 -1,-0.2 -0.813 36.5-120.0-105.6 144.3 -7.4 29.2 -32.3 64 64 A T E - E 0 77C 92 -2,-0.3 2,-0.4 -10,-0.2 13,-0.2 -0.442 25.8-162.5 -79.6 153.9 -6.1 25.7 -33.0 65 65 A L E - E 0 76C 1 11,-2.2 11,-2.1 -2,-0.1 2,-0.4 -1.000 10.5-169.4-141.1 138.8 -4.9 23.4 -30.3 66 66 A T E -DE 53 75C 57 -13,-1.4 -13,-1.3 -2,-0.4 2,-0.4 -0.915 7.6-164.4-132.8 107.2 -2.7 20.2 -30.3 67 67 A L E -DE 52 74C 11 7,-2.2 7,-2.2 -2,-0.4 2,-0.4 -0.768 6.3-168.0 -93.3 131.1 -2.4 18.1 -27.2 68 68 A H E +DE 51 73C 93 -17,-1.9 -17,-1.7 -2,-0.4 2,-0.4 -0.973 9.6 173.4-122.8 130.5 0.4 15.5 -27.1 69 69 A Y E > - E 0 72C 41 3,-2.2 3,-2.3 -2,-0.4 2,-2.3 -0.946 65.6 -46.0-140.2 116.2 0.7 12.7 -24.5 70 70 A Q T 3 S- 0 0 180 -2,-0.4 -2,-0.0 -21,-0.4 3,-0.0 -0.403 127.7 -24.0 65.5 -81.0 3.3 10.0 -24.5 71 71 A G T 3 S+ 0 0 66 -2,-2.3 2,-0.3 0, 0.0 -1,-0.3 0.219 117.4 93.6-146.5 13.3 2.9 9.2 -28.2 72 72 A H E < -E 69 0C 145 -3,-2.3 -3,-2.2 2,-0.0 2,-0.4 -0.807 49.3-164.0-112.7 154.0 -0.6 10.3 -29.1 73 73 A E E -E 68 0C 128 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.999 3.4-172.2-140.5 136.0 -1.8 13.6 -30.5 74 74 A V E -E 67 0C 37 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.3 -0.983 13.2-142.8-130.6 139.8 -5.3 15.2 -30.7 75 75 A S E +E 66 0C 82 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.746 27.0 159.6-101.4 148.1 -6.5 18.4 -32.5 76 76 A F E -E 65 0C 23 -11,-2.1 -11,-2.2 -2,-0.3 2,-0.4 -0.951 29.0-124.3-155.7 171.9 -9.1 20.8 -31.2 77 77 A D E -E 64 0C 101 -2,-0.3 2,-0.4 -13,-0.2 -62,-0.3 -0.957 14.1-150.5-128.4 146.2 -10.4 24.3 -31.5 78 78 A V E -E 63 0C 0 -15,-2.3 -15,-1.5 -2,-0.4 -16,-1.2 -0.937 8.5-170.5-118.9 138.8 -10.9 27.1 -29.0 79 79 A L E -c 17 0B 91 -63,-1.4 -61,-0.9 -64,-0.4 2,-0.4 -0.984 8.7-153.3-132.0 123.7 -13.5 29.9 -29.0 80 80 A V E +c 18 0B 48 -2,-0.4 -61,-0.2 -63,-0.2 -63,-0.1 -0.787 18.5 176.8 -97.7 136.1 -13.6 32.9 -26.7 81 81 A S E -c 19 0B 58 -63,-1.5 -61,-1.3 -2,-0.4 2,-0.2 -0.912 35.9 -86.6-135.1 161.6 -16.8 34.7 -25.9 82 82 A P - 0 0 99 0, 0.0 -63,-0.0 0, 0.0 -61,-0.0 -0.449 54.2 -97.9 -69.8 135.4 -18.1 37.5 -23.7 83 83 A K - 0 0 154 -2,-0.2 2,-0.2 1,-0.1 -62,-0.0 -0.134 42.3-145.4 -51.2 145.6 -18.9 36.7 -20.1 84 84 A A - 0 0 78 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.533 13.3-101.8-109.1 177.4 -22.7 36.1 -19.5 85 85 A A S S+ 0 0 89 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.422 85.4 45.6 -94.7 172.4 -25.0 36.8 -16.5 86 86 A L + 0 0 175 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.969 67.3 173.8 57.7 88.9 -26.4 34.4 -13.9 87 87 A N - 0 0 128 -3,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.991 27.2-130.0-131.1 135.1 -23.4 32.3 -12.7 88 88 A D 0 0 156 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.583 360.0 360.0 -83.0 142.6 -23.2 29.8 -9.9 89 89 A E 0 0 242 -2,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.584 360.0 360.0-128.2 360.0 -20.4 30.0 -7.4