==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPOPROTEIN 24-FEB-09 3GE2 . COMPND 2 MOLECULE: LIPOPROTEIN, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.KIM,R.ZHANG,G.JOACHIMIAK,P.GORNICKI,A.JOACHIMIAK,MIDWEST C . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 52.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 4 4.5 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 . 18 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.1 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+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 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 . 1 0 0 3 1 0 3 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 . 0 0 0 0 0 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 65 A Q 0 0 230 0, 0.0 2,-0.4 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 54.1 11.7 44.9 29.1 2 66 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 52,-0.1 -0.683 360.0-145.6 -86.6 133.5 15.4 44.1 28.8 3 67 A V - 0 0 96 -2,-0.4 50,-0.0 50,-0.1 0, 0.0 -0.855 26.2-118.8 -93.7 129.1 17.9 45.9 31.0 4 68 A A - 0 0 66 -2,-0.5 48,-0.2 49,-0.1 47,-0.1 -0.267 29.2-141.8 -70.7 142.2 21.2 46.4 29.3 5 69 A Q - 0 0 20 46,-2.8 -1,-0.1 1,-0.1 49,-0.1 -0.699 26.5 -85.8-104.1 158.7 24.3 44.8 30.9 6 70 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.280 34.8-144.6 -51.9 144.4 27.9 45.9 31.3 7 71 A T S S+ 0 0 107 1,-0.2 2,-0.9 -3,-0.1 44,-0.1 0.700 81.9 68.5 -94.0 -20.9 29.9 44.9 28.2 8 72 A D + 0 0 125 1,-0.1 -1,-0.2 21,-0.0 21,-0.1 -0.809 51.3 134.7-104.7 101.3 33.2 44.0 29.9 9 73 A I + 0 0 9 -2,-0.9 17,-0.1 19,-0.3 -1,-0.1 0.021 23.6 159.3-134.4 25.1 32.7 40.9 31.9 10 74 A D + 0 0 76 15,-0.1 2,-0.3 -3,-0.1 17,-0.2 -0.200 30.5 75.0 -47.7 139.8 35.7 38.7 31.1 11 75 A G E S-A 26 0A 24 15,-1.7 15,-3.0 2,-0.1 2,-0.5 -0.859 78.8 -68.3 150.4-168.2 36.6 36.0 33.5 12 76 A T E -A 25 0A 73 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.962 41.8-173.2-121.1 116.8 35.8 32.6 34.8 13 77 A Y E -A 24 0A 2 11,-2.9 11,-3.4 -2,-0.5 2,-0.3 -0.905 3.2-168.2-111.5 140.1 32.6 32.1 36.9 14 78 A T E +AB 23 88A 63 74,-2.8 74,-2.8 -2,-0.4 2,-0.3 -0.902 20.1 128.8-129.8 156.7 31.6 29.0 38.7 15 79 A G E -A 22 0A 16 7,-1.8 7,-3.0 -2,-0.3 2,-0.4 -0.930 44.9 -86.2-175.1-161.9 28.5 27.7 40.4 16 80 A Q E -A 21 0A 116 70,-0.5 2,-0.3 -2,-0.3 70,-0.3 -0.955 21.4-177.0-133.9 147.2 26.1 24.8 40.6 17 81 A D E > S-A 20 0A 50 3,-2.4 3,-2.0 -2,-0.4 68,-0.1 -0.910 81.5 -21.6-146.2 110.5 23.0 23.6 38.8 18 82 A D T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.917 126.6 -51.8 57.7 46.1 21.3 20.5 40.0 19 83 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 18,-0.0 -1,-0.3 0.351 115.4 115.9 69.6 -7.8 24.4 19.3 41.7 20 84 A D E < -A 17 0A 40 -3,-2.0 -3,-2.4 17,-0.0 2,-0.4 -0.784 68.6-121.5 -89.6 139.4 26.6 19.7 38.6 21 85 A R E -AC 16 36A 132 15,-1.0 15,-2.7 -2,-0.4 2,-0.4 -0.635 24.8-155.7 -77.8 130.5 29.4 22.2 38.7 22 86 A I E -AC 15 35A 1 -7,-3.0 -7,-1.8 -2,-0.4 2,-0.5 -0.886 8.5-170.8-104.4 134.6 29.1 24.9 36.0 23 87 A T E -AC 14 34A 38 11,-2.6 11,-2.9 -2,-0.4 2,-0.6 -0.987 4.0-168.7-124.7 120.6 32.2 26.8 34.8 24 88 A L E -AC 13 33A 0 -11,-3.4 -11,-2.9 -2,-0.5 2,-0.6 -0.944 2.1-167.3-112.4 118.3 31.6 29.8 32.5 25 89 A V E -AC 12 32A 52 7,-2.6 7,-1.8 -2,-0.6 2,-0.5 -0.923 10.4-164.8-105.7 120.7 34.6 31.3 30.8 26 90 A V E +AC 11 31A 3 -15,-3.0 -15,-1.7 -2,-0.6 2,-0.4 -0.904 15.6 172.0-112.3 131.5 33.8 34.7 29.2 27 91 A T E > - C 0 30A 79 3,-2.9 3,-1.9 -2,-0.5 2,-0.4 -0.933 65.8 -48.5-136.5 113.8 35.9 36.4 26.7 28 92 A G T 3 S- 0 0 39 -2,-0.4 -19,-0.3 1,-0.3 -2,-0.0 -0.449 122.4 -21.0 64.9-116.2 34.5 39.6 25.0 29 93 A T T 3 S+ 0 0 93 -2,-0.4 20,-2.6 -21,-0.1 2,-0.3 0.228 130.2 57.5-113.6 15.1 31.0 38.8 23.9 30 94 A T E < +CD 27 48A 65 -3,-1.9 -3,-2.9 18,-0.2 2,-0.3 -0.841 55.0 154.2-131.4 178.8 31.3 35.0 23.8 31 95 A G E -CD 26 47A 6 16,-2.0 16,-3.0 -2,-0.3 2,-0.4 -0.973 36.3 -96.0-178.7-174.3 32.3 32.2 26.1 32 96 A T E -CD 25 46A 44 -7,-1.8 -7,-2.6 -2,-0.3 2,-0.6 -0.989 20.3-154.9-128.6 140.4 32.0 28.5 27.0 33 97 A W E -CD 24 45A 4 12,-2.8 12,-2.7 -2,-0.4 2,-0.5 -0.958 16.4-168.8-115.5 115.6 29.6 27.0 29.5 34 98 A T E -CD 23 44A 20 -11,-2.9 -11,-2.6 -2,-0.6 2,-0.5 -0.924 9.2-163.1-117.5 127.9 30.9 23.7 30.9 35 99 A E E -CD 22 43A 38 8,-2.6 8,-2.3 -2,-0.5 2,-0.6 -0.927 8.1-154.7-107.3 124.2 28.9 21.3 33.0 36 100 A L E -CD 21 42A 53 -15,-2.7 -15,-1.0 -2,-0.5 6,-0.2 -0.880 13.4-151.1 -98.7 116.2 30.8 18.7 35.1 37 101 A E > - 0 0 70 4,-2.7 3,-1.9 -2,-0.6 -18,-0.0 -0.444 28.6-105.6 -81.2 162.7 28.7 15.6 35.8 38 102 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 -19,-0.0 0.844 120.0 56.0 -58.1 -36.6 29.2 13.4 38.8 39 103 A D T 3 S- 0 0 109 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.498 121.4-104.7 -76.5 -0.8 30.9 10.7 36.7 40 104 A G S < S+ 0 0 40 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.326 78.6 129.8 98.6 -11.8 33.5 13.2 35.5 41 105 A D - 0 0 100 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.430 45.3-147.6 -69.4 155.1 32.2 13.7 32.0 42 106 A Q E -D 36 0A 129 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.967 8.7-151.5-126.8 147.2 31.8 17.3 30.9 43 107 A K E -D 35 0A 98 -8,-2.3 -8,-2.6 -2,-0.4 2,-0.5 -0.971 16.8-163.5-114.4 120.0 29.3 18.9 28.6 44 108 A V E -D 34 0A 78 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.920 8.1-177.9-112.4 126.2 30.6 22.0 26.8 45 109 A K E -D 33 0A 37 -12,-2.7 -12,-2.8 -2,-0.5 2,-0.2 -0.937 28.4-117.3-120.0 143.0 28.3 24.5 25.1 46 110 A Q E -D 32 0A 132 -2,-0.4 13,-2.9 -14,-0.2 2,-0.4 -0.548 33.2-157.2 -73.9 138.5 29.2 27.7 23.2 47 111 A V E -DE 31 58A 2 -16,-3.0 -16,-2.0 -2,-0.2 2,-0.4 -0.925 12.3-171.0-120.4 144.8 27.9 30.9 24.8 48 112 A T E -DE 30 57A 64 9,-1.8 9,-2.6 -2,-0.4 2,-0.5 -0.996 12.8-146.1-135.2 143.1 27.1 34.3 23.3 49 113 A F E - E 0 56A 17 -20,-2.6 2,-0.8 -2,-0.4 7,-0.2 -0.927 8.2-168.1-112.9 120.1 26.3 37.4 25.3 50 114 A D E > - E 0 55A 62 5,-3.1 5,-1.8 -2,-0.5 4,-0.5 -0.851 10.7-177.2-103.3 96.4 23.9 40.0 24.0 51 115 A S T > 5S+ 0 0 33 -2,-0.8 -46,-2.8 1,-0.2 3,-0.8 0.870 74.8 54.7 -70.0 -38.2 24.5 42.9 26.4 52 116 A A T 3 5S+ 0 0 58 1,-0.2 -1,-0.2 -48,-0.2 -2,-0.0 0.852 119.8 32.3 -65.4 -35.4 21.9 45.3 25.1 53 117 A N T 3 5S- 0 0 76 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.281 105.4-123.1-105.7 8.4 19.1 42.9 25.4 54 118 A Q T < 5 + 0 0 6 -3,-0.8 11,-1.3 -4,-0.5 2,-0.5 0.848 62.2 143.7 59.6 36.8 20.4 41.0 28.4 55 119 A R E < -EF 50 64A 82 -5,-1.8 -5,-3.1 9,-0.2 2,-0.5 -0.937 31.8-171.5-113.6 134.8 20.3 37.6 26.6 56 120 A X E -EF 49 63A 0 7,-2.7 7,-3.5 -2,-0.5 2,-0.6 -0.966 8.4-158.8-120.0 132.9 22.8 34.8 26.8 57 121 A I E -EF 48 62A 65 -9,-2.6 -9,-1.8 -2,-0.5 2,-0.5 -0.918 5.5-171.0-110.7 125.6 22.5 31.9 24.5 58 122 A I E > S-EF 47 61A 5 3,-2.7 3,-2.6 -2,-0.6 2,-0.7 -0.969 72.3 -37.8-117.5 121.5 24.1 28.6 25.5 59 123 A G T 3 S- 0 0 41 -13,-2.9 -2,-0.0 -2,-0.5 -14,-0.0 -0.623 125.3 -39.1 63.4-110.7 24.1 26.1 22.7 60 124 A D T 3 S+ 0 0 132 -2,-0.7 2,-0.5 2,-0.0 -1,-0.3 0.115 114.1 109.7-127.7 24.9 20.8 27.1 21.3 61 125 A D E < -F 58 0A 81 -3,-2.6 -3,-2.7 0, 0.0 2,-0.5 -0.874 62.7-135.9-100.4 128.9 19.0 27.7 24.6 62 126 A V E +F 57 0A 59 -2,-0.5 15,-0.4 -5,-0.2 2,-0.3 -0.707 27.7 173.7 -88.3 125.7 18.1 31.3 25.4 63 127 A K E -F 56 0A 41 -7,-3.5 -7,-2.7 -2,-0.5 2,-0.4 -0.848 29.6-126.5-120.4 163.4 18.7 32.7 28.9 64 128 A I E -FG 55 75A 10 11,-2.5 11,-3.3 -2,-0.3 2,-0.3 -0.875 30.7-165.7 -99.8 136.1 18.5 36.0 30.6 65 129 A Y E - G 0 74A 3 -11,-1.3 2,-0.4 -2,-0.4 9,-0.2 -0.964 11.9-164.1-125.8 154.2 21.6 37.1 32.5 66 130 A T E - G 0 73A 32 7,-1.8 7,-2.6 -2,-0.3 2,-0.5 -1.000 11.7-147.4-136.0 127.7 22.3 39.8 35.0 67 131 A V E + G 0 72A 18 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.877 19.7 171.1-100.0 122.2 25.8 41.0 36.0 68 132 A N E > - G 0 71A 84 3,-3.3 3,-1.9 -2,-0.5 2,-0.2 -0.772 63.9 -74.6-125.8 88.3 26.5 42.2 39.5 69 133 A G T 3 S- 0 0 59 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.440 118.2 -3.7 56.8-126.5 30.2 42.7 39.9 70 134 A N T 3 S+ 0 0 97 -2,-0.2 19,-2.0 -3,-0.1 2,-0.4 0.446 122.8 85.9 -76.3 -2.1 31.8 39.2 40.1 71 135 A Q E < -GH 68 88A 70 -3,-1.9 -3,-3.3 17,-0.2 2,-0.5 -0.853 54.9-169.3-107.7 135.3 28.5 37.5 40.0 72 136 A I E -GH 67 87A 0 15,-2.9 15,-2.9 -2,-0.4 2,-0.5 -0.992 9.7-157.2-119.3 127.3 26.4 36.5 37.0 73 137 A V E -GH 66 86A 15 -7,-2.6 -7,-1.8 -2,-0.5 2,-0.5 -0.920 7.5-159.2-107.8 122.0 22.8 35.4 37.6 74 138 A V E +GH 65 85A 2 11,-3.6 11,-2.6 -2,-0.5 2,-0.3 -0.895 13.8 179.6-109.1 125.9 21.4 33.2 34.8 75 139 A D E -G 64 0A 7 -11,-3.3 -11,-2.5 -2,-0.5 9,-0.1 -0.904 29.7-113.5-121.1 153.9 17.6 32.9 34.5 76 140 A D > - 0 0 29 4,-0.3 3,-1.7 -2,-0.3 -13,-0.1 -0.337 43.4-102.7 -68.1 164.5 15.1 31.1 32.2 77 141 A X T 3 S+ 0 0 104 -15,-0.4 -1,-0.1 1,-0.3 -14,-0.1 0.864 126.6 48.9 -62.8 -34.6 13.0 33.4 30.0 78 142 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.497 110.8-127.1 -79.8 1.6 10.0 32.9 32.3 79 143 A R < - 0 0 112 -3,-1.7 5,-0.1 1,-0.2 -2,-0.1 0.722 34.8-173.8 59.0 22.6 12.4 33.7 35.2 80 144 A D > - 0 0 57 1,-0.2 3,-2.5 2,-0.1 4,-0.4 -0.301 19.7-144.0 -49.6 113.1 11.3 30.6 37.0 81 145 A P G > S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.734 96.3 59.9 -56.0 -27.8 13.1 31.0 40.4 82 146 A S G 3 S+ 0 0 93 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.589 104.3 51.2 -81.8 -4.7 13.9 27.3 40.7 83 147 A D G < S+ 0 0 60 -3,-2.5 -1,-0.2 2,-0.0 -3,-0.1 0.452 81.9 121.7-106.2 -2.9 15.8 27.4 37.5 84 148 A Q < - 0 0 91 -3,-0.7 2,-0.4 -4,-0.4 -9,-0.2 -0.361 43.9-163.3 -64.5 138.2 18.0 30.4 38.5 85 149 A I E - H 0 74A 9 -11,-2.6 -11,-3.6 -2,-0.1 2,-0.5 -0.993 3.3-159.8-127.1 126.9 21.7 29.8 38.5 86 150 A V E - H 0 73A 59 -2,-0.4 -70,-0.5 -70,-0.3 2,-0.4 -0.935 11.8-175.4-109.4 123.3 24.2 32.0 40.3 87 151 A L E - H 0 72A 0 -15,-2.9 -15,-2.9 -2,-0.5 2,-0.4 -0.928 1.9-168.4-119.9 150.8 27.8 31.9 39.2 88 152 A T E BH 14 71A 65 -74,-2.8 -74,-2.8 -2,-0.4 -17,-0.2 -0.980 360.0 360.0-142.4 139.3 30.7 33.7 40.7 89 153 A K 0 0 98 -19,-2.0 -76,-0.2 -2,-0.4 -19,-0.1 -0.843 360.0 360.0-109.6 360.0 34.3 34.4 39.8