==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 11-OCT-10 2L4O . COMPND 2 MOLECULE: CELL WALL SURFACE ANCHOR FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.A.GENTILE,S.MELCHIORRE,C.EMOLO,M.MOSCHIONI,C.GIANFALDONI, . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 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 . 3 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 19 A M 0 0 216 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 11.0 -15.2 19.6 2 20 A E + 0 0 173 1,-0.1 3,-0.2 2,-0.0 0, 0.0 -0.852 360.0 173.9 -96.6 113.3 9.5 -18.0 17.4 3 21 A T + 0 0 124 -2,-0.7 -1,-0.1 1,-0.2 3,-0.0 0.037 44.1 113.9-106.6 21.5 5.8 -17.3 16.6 4 22 A A S S- 0 0 67 1,-0.1 5,-0.2 2,-0.0 -1,-0.2 0.484 80.6-116.2 -71.3 -4.8 5.3 -20.2 14.1 5 23 A S - 0 0 83 -3,-0.2 4,-0.1 1,-0.1 -1,-0.1 0.490 19.2 -99.9 65.2 146.8 2.8 -22.1 16.4 6 24 A A S S+ 0 0 119 2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.330 107.5 24.9 -76.6 5.9 3.4 -25.5 18.0 7 25 A A S S- 0 0 73 -3,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.925 106.5 -59.2-153.7 176.3 1.3 -27.0 15.2 8 26 A T + 0 0 142 -2,-0.3 2,-0.3 3,-0.0 -3,-0.1 -0.448 52.6 177.7 -70.3 128.2 0.1 -26.3 11.6 9 27 A V - 0 0 65 -2,-0.2 105,-0.0 -5,-0.2 -1,-0.0 -0.927 41.2 -42.0-127.4 154.3 -1.9 -23.0 10.9 10 28 A F S S+ 0 0 130 -2,-0.3 105,-0.2 105,-0.1 104,-0.1 0.212 86.4 86.5 38.2-142.4 -3.4 -21.2 7.9 11 29 A A + 0 0 52 103,-2.1 -1,-0.1 105,-0.2 6,-0.0 0.156 29.0 109.5 56.1-158.3 -1.4 -21.0 4.6 12 30 A A S S+ 0 0 114 2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.646 70.4 89.0 56.0 23.2 -1.1 -23.6 1.7 13 31 A G S S+ 0 0 41 101,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.379 82.0 45.8-122.1 -2.4 -3.1 -21.1 -0.6 14 32 A T S S- 0 0 39 140,-0.1 140,-0.2 100,-0.0 -2,-0.1 -0.888 71.1-123.8-139.7 167.6 -0.3 -18.9 -2.1 15 33 A T S S+ 0 0 71 138,-2.7 2,-0.3 -2,-0.3 139,-0.1 0.475 102.1 24.5 -90.6 -6.2 3.2 -19.0 -3.8 16 34 A T - 0 0 25 137,-0.5 -1,-0.1 143,-0.0 -3,-0.1 -0.968 66.0-143.1-156.5 153.9 4.7 -16.7 -1.1 17 35 A T S S+ 0 0 79 -2,-0.3 96,-1.9 -3,-0.1 97,-1.6 0.310 78.1 41.2-109.5 4.5 3.7 -15.9 2.6 18 36 A S E -A 112 0A 23 94,-0.3 142,-0.8 95,-0.2 2,-0.3 -0.973 58.1-152.6-147.6 161.4 4.5 -12.1 2.8 19 37 A V E -Ab 111 160A 5 92,-2.8 92,-2.7 -2,-0.3 2,-0.6 -0.990 10.4-145.8-134.4 141.7 4.2 -8.8 0.8 20 38 A T E -Ab 110 161A 38 140,-2.3 142,-1.5 -2,-0.3 2,-0.5 -0.945 13.5-157.8-111.3 114.8 6.4 -5.6 0.9 21 39 A V E -Ab 109 162A 0 88,-2.5 88,-1.5 -2,-0.6 142,-0.2 -0.808 14.6-176.4 -93.2 128.5 4.5 -2.3 0.3 22 40 A H - 0 0 8 140,-2.5 2,-0.3 -2,-0.5 86,-0.2 -0.428 20.1-126.4-107.2-177.9 6.6 0.6 -0.9 23 41 A K - 0 0 4 84,-0.3 35,-1.7 -2,-0.1 2,-0.3 -0.924 22.2-173.1-139.1 122.7 5.8 4.4 -1.6 24 42 A L E +C 57 0B 2 140,-1.3 2,-0.3 -2,-0.3 33,-0.2 -0.776 5.1 175.5-107.9 154.2 6.6 6.1 -4.9 25 43 A L E -C 56 0B 11 31,-2.4 31,-2.4 -2,-0.3 2,-0.3 -0.918 25.9-114.0-144.3 167.4 6.3 9.9 -5.8 26 44 A A E -C 55 0B 0 -2,-0.3 29,-0.2 29,-0.2 115,-0.1 -0.744 10.1-140.7-101.4 158.3 7.1 12.2 -8.8 27 45 A T S S+ 0 0 73 27,-2.2 -1,-0.1 -2,-0.3 28,-0.1 0.872 102.3 14.1 -80.7 -41.1 9.6 15.1 -8.9 28 46 A D S S- 0 0 142 26,-0.4 -1,-0.1 141,-0.0 27,-0.1 -0.181 125.4 -76.1-131.7 38.0 7.4 17.5 -11.0 29 47 A G S > S+ 0 0 29 25,-0.1 3,-0.6 1,-0.1 2,-0.4 0.562 83.6 144.7 80.7 12.3 3.9 15.9 -10.7 30 48 A D T 3> + 0 0 40 24,-0.3 4,-2.3 1,-0.2 3,-0.3 0.145 22.5 119.0 -71.7 18.2 4.8 13.2 -13.3 31 49 A M H 3> + 0 0 6 -2,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.799 69.3 62.0 -60.2 -26.0 2.7 10.4 -11.7 32 50 A D H <> S+ 0 0 102 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.950 109.8 36.8 -66.5 -50.5 0.6 10.1 -14.9 33 51 A K H > S+ 0 0 115 -3,-0.3 4,-2.2 2,-0.2 3,-0.5 0.919 116.5 55.5 -68.3 -39.9 3.5 9.1 -17.2 34 52 A I H X S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.937 104.7 52.4 -54.0 -49.4 5.0 7.0 -14.3 35 53 A A H X S+ 0 0 34 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.782 111.5 46.4 -65.0 -23.7 1.7 5.0 -14.0 36 54 A N H X S+ 0 0 89 -4,-1.0 4,-0.8 -3,-0.5 -1,-0.2 0.805 108.2 55.8 -82.2 -30.1 1.9 4.3 -17.7 37 55 A E H < S+ 0 0 113 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.558 115.5 40.7 -70.7 -11.9 5.6 3.3 -17.2 38 56 A L H ><>S+ 0 0 11 -4,-0.8 3,-0.7 -5,-0.2 5,-0.6 0.702 102.8 63.3-106.7 -31.8 4.3 0.8 -14.6 39 57 A E H 3<5S+ 0 0 148 -4,-1.6 -2,-0.1 1,-0.2 -3,-0.1 0.743 100.4 58.1 -65.5 -22.3 1.1 -0.6 -16.3 40 58 A T T 3<5S+ 0 0 105 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.1 0.811 101.0 70.0 -71.2 -31.1 3.5 -2.0 -19.0 41 59 A G T < 5S- 0 0 20 -3,-0.7 2,-0.3 -4,-0.1 3,-0.1 -0.416 93.9-113.8 -86.4 162.6 5.3 -4.0 -16.2 42 60 A N T >>5 + 0 0 132 1,-0.2 3,-2.0 -2,-0.1 4,-1.0 0.027 63.1 143.0 -83.2 30.6 3.9 -7.0 -14.3 43 61 A Y T 34< + 0 0 43 -5,-0.6 120,-0.3 1,-0.3 -1,-0.2 0.217 44.6 89.5 -71.8 19.2 3.9 -5.0 -11.0 44 62 A A T 34 S+ 0 0 93 -2,-0.5 -1,-0.3 -3,-0.1 107,-0.2 0.730 117.0 1.8 -72.2 -27.8 0.7 -6.6 -9.7 45 63 A G T <4 S+ 0 0 9 -3,-2.0 116,-2.4 1,-0.1 -2,-0.2 0.664 120.8 64.9-120.2 -63.8 3.1 -9.1 -8.2 46 64 A N S < S- 0 0 53 -4,-1.0 2,-0.2 114,-0.2 114,-0.1 -0.244 84.3 -93.4 -78.8 158.9 6.8 -8.4 -8.8 47 65 A K - 0 0 105 112,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.470 53.4 -89.7 -70.8 135.7 9.1 -5.5 -7.6 48 66 A V - 0 0 18 -2,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.209 41.3-173.5 -54.4 110.6 9.5 -2.5 -9.9 49 67 A G S S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.732 70.8 36.2 -78.7 -25.2 12.5 -3.3 -12.2 50 68 A V - 0 0 96 -13,-0.1 -1,-0.2 -12,-0.0 -9,-0.1 -0.888 64.9-177.9-142.1 104.1 12.7 0.1 -14.0 51 69 A L - 0 0 72 -2,-0.4 2,-0.2 -3,-0.2 -13,-0.0 -0.739 26.5-121.3 -89.8 146.8 12.0 3.5 -12.3 52 70 A P > - 0 0 29 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.492 19.8-119.1 -81.3 158.2 12.1 6.8 -14.2 53 71 A A T 3 S+ 0 0 104 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.778 117.1 61.6 -69.4 -22.9 14.4 9.7 -13.2 54 72 A N T 3 S+ 0 0 35 -24,-0.1 -27,-2.2 -28,-0.1 -26,-0.4 0.380 97.1 79.6 -79.3 0.5 11.2 11.8 -12.7 55 73 A A E < +C 26 0B 14 -3,-1.7 2,-0.3 -29,-0.2 -29,-0.2 -0.784 57.3 175.6-101.3 157.9 10.2 9.2 -10.0 56 74 A K E -C 25 0B 52 -31,-2.4 -31,-2.4 -2,-0.3 2,-0.3 -0.929 21.5-124.8-150.8 172.0 11.5 9.0 -6.3 57 75 A E E -C 24 0B 96 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.2 -0.918 17.6-159.7-126.5 146.8 10.8 6.9 -3.1 58 76 A I - 0 0 36 -35,-1.7 3,-0.3 -2,-0.3 2,-0.2 -0.984 5.8-155.7-136.7 130.7 9.9 7.9 0.5 59 77 A A S S+ 0 0 36 -2,-0.4 46,-0.2 1,-0.2 73,-0.2 -0.636 72.1 51.0 -90.7 156.9 10.1 6.3 4.0 60 78 A G + 0 0 18 44,-1.7 72,-1.0 1,-0.3 2,-0.3 0.638 69.2 130.4 90.4 15.8 7.8 7.3 6.9 61 79 A V - 0 0 4 -3,-0.3 43,-2.0 70,-0.2 2,-0.4 -0.785 48.7-136.9 -90.1 145.8 4.2 7.1 5.3 62 80 A M E +D 103 0C 13 -2,-0.3 64,-1.1 64,-0.3 2,-0.3 -0.873 24.4 175.0-102.4 137.7 1.5 5.1 7.1 63 81 A F E -DE 102 125C 1 39,-1.6 39,-1.8 -2,-0.4 2,-0.3 -0.988 14.9-154.2-139.7 153.7 -0.9 2.6 5.5 64 82 A V E -DE 101 124C 2 60,-2.4 60,-2.4 -2,-0.3 2,-0.3 -0.897 20.9-121.4-118.7 146.4 -3.6 0.2 6.7 65 83 A W E + E 0 123C 1 35,-3.0 8,-1.5 -2,-0.3 2,-0.2 -0.688 36.4 172.2 -87.6 147.0 -5.0 -3.0 5.0 66 84 A T E -FE 72 122C 0 56,-3.1 56,-2.5 -2,-0.3 6,-0.2 -0.830 27.4-106.4-141.5 173.7 -8.7 -3.3 4.1 67 85 A N E > - E 0 121C 43 4,-1.9 3,-1.9 54,-0.3 54,-0.2 -0.468 45.9 -89.1-100.5 177.6 -11.3 -5.5 2.2 68 86 A T T 3 S+ 0 0 62 52,-0.5 53,-0.1 1,-0.3 -1,-0.0 0.725 127.9 54.1 -68.2 -20.8 -13.1 -5.0 -1.1 69 87 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 53,-0.0 15,-0.1 -0.036 123.7-105.6 -98.0 26.5 -16.0 -3.1 0.7 70 88 A N < + 0 0 34 -3,-1.9 14,-1.6 1,-0.2 2,-0.3 0.670 69.7 149.7 62.3 24.0 -13.4 -0.7 2.2 71 89 A E E -H 83 0D 71 12,-0.2 -4,-1.9 1,-0.0 2,-0.4 -0.702 51.6-114.5 -84.4 140.4 -13.5 -2.3 5.8 72 90 A I E -F 66 0C 1 10,-2.5 8,-2.9 -2,-0.3 10,-0.4 -0.613 42.5-168.9 -76.9 126.1 -10.4 -2.2 8.0 73 91 A I E -H 79 0D 1 -8,-1.5 27,-2.6 -2,-0.4 -8,-0.3 -0.766 20.8-121.9-117.9 156.9 -9.1 -5.8 8.6 74 92 A D > - 0 0 18 4,-2.7 3,-2.5 25,-0.3 25,-0.2 -0.531 47.7 -90.3 -85.3 165.4 -6.7 -7.7 10.8 75 93 A E T 3 S+ 0 0 87 23,-0.4 40,-0.3 1,-0.3 41,-0.1 0.360 128.0 48.3 -65.0 2.9 -3.8 -9.9 9.3 76 94 A N T 3 S- 0 0 54 2,-0.1 -1,-0.3 40,-0.1 37,-0.0 0.310 124.6 -96.7-117.5 -3.5 -6.1 -13.0 9.3 77 95 A G S < S+ 0 0 26 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.454 73.9 142.6 96.1 5.8 -9.2 -11.3 7.6 78 96 A Q - 0 0 138 1,-0.0 -4,-2.7 2,-0.0 2,-0.4 -0.598 49.0-127.5 -72.3 137.3 -11.3 -10.3 10.7 79 97 A T E -H 73 0D 64 -2,-0.3 -6,-0.2 -6,-0.2 -13,-0.0 -0.736 7.7-149.1 -96.4 134.2 -13.0 -6.9 10.2 80 98 A L E - 0 0 50 -8,-2.9 17,-0.1 -2,-0.4 -7,-0.1 0.381 44.1-104.0 -86.7 -1.0 -12.6 -4.2 12.9 81 99 A G E S+ 0 0 60 1,-0.3 2,-0.3 -9,-0.3 -8,-0.1 0.622 87.8 110.1 83.9 15.6 -16.0 -2.4 12.5 82 100 A V E - 0 0 12 -10,-0.4 -10,-2.5 11,-0.1 -1,-0.3 -0.937 45.4-169.0-125.1 147.1 -14.4 0.6 10.7 83 101 A N E -H 71 0D 63 -2,-0.3 9,-2.3 -12,-0.3 2,-0.3 -0.877 7.1-149.7-133.6 157.8 -14.7 1.7 7.0 84 102 A I B -I 91 0E 0 -14,-1.6 7,-0.2 -2,-0.3 -2,-0.0 -0.998 17.1-124.7-136.0 134.2 -12.9 4.2 4.7 85 103 A D > - 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