==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-SEP-06 2IBO . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SP2199; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE TIGR4; . AUTHOR J.SEETHARAMAN,M.ABASHIDZE,F.FOROUHAR,R.SHASTRY,K.CONOVER, . 360 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 79.2 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 . 107 29.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 30.8 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 1 1 0 0 0 0 0 1 0 0 1 1 5 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 . 0 0 0 4 0 4 0 3 1 2 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 2 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 X 0 0 141 0, 0.0 48,-2.8 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0-101.6 60.7 59.8 64.4 2 2 A K E +A 48 0A 81 46,-0.2 77,-1.6 47,-0.1 2,-0.3 -0.101 360.0 160.7 -47.9 134.3 61.8 56.6 66.2 3 3 A A E -AB 47 78A 1 44,-2.0 44,-2.4 75,-0.2 2,-0.4 -0.994 28.6-154.4-156.6 153.6 64.9 55.0 64.7 4 4 A S E -AB 46 77A 0 73,-2.1 73,-2.0 -2,-0.3 2,-0.4 -0.994 10.9-166.6-133.2 140.0 67.7 52.6 65.5 5 5 A I E -AB 45 76A 0 40,-2.0 40,-3.9 -2,-0.4 2,-0.5 -0.991 5.9-161.8-129.7 132.3 71.1 52.5 63.8 6 6 A A E -AB 44 75A 0 69,-2.3 69,-1.9 -2,-0.4 2,-0.4 -0.966 16.8-164.6-114.1 127.1 73.7 49.7 64.1 7 7 A L E +AB 43 74A 8 36,-3.3 36,-4.2 -2,-0.5 2,-0.4 -0.952 17.2 173.7-123.3 136.2 77.2 50.8 63.0 8 8 A Q E - B 0 73A 10 65,-1.8 65,-2.2 -2,-0.4 2,-0.6 -0.983 13.9-160.1-135.5 120.7 80.3 48.7 62.2 9 9 A V E - B 0 72A 16 -2,-0.4 63,-0.2 63,-0.2 16,-0.0 -0.914 8.7-177.7-108.3 119.7 83.4 50.4 60.9 10 10 A L E - B 0 71A 1 61,-3.2 61,-1.3 -2,-0.6 2,-0.3 -0.862 12.2-162.3-114.3 92.5 85.9 48.3 59.0 11 11 A P E - B 0 70A 0 0, 0.0 2,-1.3 0, 0.0 59,-0.2 -0.581 17.0-137.8 -75.1 136.9 88.8 50.5 58.2 12 12 A L + 0 0 17 57,-2.2 2,-0.3 -2,-0.3 56,-0.1 -0.539 67.9 105.4 -95.0 67.0 91.0 49.0 55.4 13 13 A V S S- 0 0 27 -2,-1.3 5,-0.1 1,-0.3 92,-0.0 -0.938 73.9 -89.2-141.0 158.7 94.2 49.9 57.1 14 14 A Q - 0 0 98 -2,-0.3 4,-0.4 3,-0.1 -1,-0.3 0.611 58.6 -69.8 -47.8-152.2 96.9 47.9 59.0 15 15 A G S >> S+ 0 0 35 2,-0.1 4,-1.8 3,-0.1 3,-1.5 0.981 118.4 29.4 -75.2 -84.2 97.0 47.3 62.7 16 16 A I H 3> S+ 0 0 127 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.821 118.0 57.3 -49.7 -39.2 97.7 50.3 64.9 17 17 A D H 3> S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.805 109.7 45.9 -65.7 -27.4 96.1 52.7 62.5 18 18 A R H <> S+ 0 0 7 -3,-1.5 4,-2.5 -4,-0.4 5,-0.2 0.853 102.8 58.7 -84.4 -38.5 92.8 50.8 62.6 19 19 A I H X S+ 0 0 93 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.703 109.7 51.8 -63.3 -16.0 92.5 50.3 66.4 20 20 A A H X S+ 0 0 29 -4,-0.7 4,-3.4 -5,-0.3 5,-0.2 0.911 105.5 48.0 -87.1 -48.3 92.6 54.1 66.4 21 21 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.931 116.4 47.8 -60.0 -38.2 89.9 54.9 63.9 22 22 A I H X S+ 0 0 56 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.953 111.8 47.6 -65.7 -47.4 87.8 52.4 65.8 23 23 A D H X S+ 0 0 103 -4,-1.3 4,-2.8 -5,-0.2 -2,-0.2 0.926 113.0 51.2 -57.8 -42.6 88.7 54.0 69.1 24 24 A Q H X S+ 0 0 81 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.879 108.9 48.6 -63.5 -40.5 87.9 57.4 67.6 25 25 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.903 113.7 47.4 -68.3 -37.6 84.5 56.4 66.3 26 26 A I H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.954 112.5 48.4 -66.2 -50.0 83.6 54.8 69.7 27 27 A A H X S+ 0 0 41 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.932 112.3 49.0 -56.3 -49.0 84.8 57.9 71.7 28 28 A Y H >X S+ 0 0 32 -4,-2.4 4,-0.8 1,-0.2 3,-0.8 0.951 110.4 51.2 -55.5 -51.0 82.9 60.3 69.4 29 29 A L H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.3 5,-0.4 0.891 105.7 54.2 -54.8 -43.5 79.7 58.2 69.7 30 30 A Q H 3< S+ 0 0 128 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.831 100.6 64.7 -60.8 -29.0 79.9 58.2 73.5 31 31 A T H << S+ 0 0 100 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.783 87.6 83.2 -63.8 -31.9 80.1 62.0 73.2 32 32 A Q S << S- 0 0 38 -3,-1.1 2,-1.1 -4,-0.8 -3,-0.0 -0.355 88.8-119.3 -74.7 158.3 76.6 62.2 71.8 33 33 A E S S+ 0 0 197 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.386 74.4 120.6 -93.9 57.2 73.5 62.2 74.0 34 34 A V S S- 0 0 16 -2,-1.1 2,-0.3 -5,-0.4 13,-0.1 -0.927 72.5-105.0-125.9 145.8 72.2 59.0 72.5 35 35 A T E -C 46 0A 83 11,-1.2 11,-2.0 -2,-0.3 2,-0.4 -0.519 49.9-179.7 -67.4 123.1 71.4 55.5 73.9 36 36 A X E -C 45 0A 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.983 23.7-174.7-137.1 141.6 74.2 53.2 72.8 37 37 A V E -C 44 0A 55 7,-2.7 7,-3.3 -2,-0.4 2,-0.7 -0.993 17.7-146.5-131.2 126.0 75.2 49.6 73.1 38 38 A V E +C 43 0A 80 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.829 24.1 179.0 -92.5 118.5 78.5 48.2 71.8 39 39 A T - 0 0 12 3,-2.2 324,-0.1 -2,-0.7 321,-0.0 -0.694 44.7 -90.1-110.3 171.7 78.0 44.6 70.6 40 40 A P S S+ 0 0 34 0, 0.0 319,-0.1 0, 0.0 3,-0.1 0.721 119.6 19.6 -53.2 -31.1 80.7 42.3 69.1 41 41 A F S S+ 0 0 9 1,-0.3 2,-0.3 -33,-0.0 238,-0.0 0.625 129.3 17.3-116.6 -18.1 80.2 43.3 65.4 42 42 A E - 0 0 6 -34,-0.1 -3,-2.2 -5,-0.0 2,-0.6 -0.994 66.4-119.6-153.4 156.4 78.4 46.6 65.5 43 43 A T E -AC 7 38A 13 -36,-4.2 -36,-3.3 -2,-0.3 2,-0.5 -0.893 31.4-146.4-102.6 124.4 77.6 49.5 67.8 44 44 A V E -AC 6 37A 0 -7,-3.3 -7,-2.7 -2,-0.6 2,-0.3 -0.813 15.3-172.2 -97.5 124.2 73.8 50.0 68.2 45 45 A L E -AC 5 36A 3 -40,-3.9 -40,-2.0 -2,-0.5 2,-0.4 -0.829 3.2-163.3-112.4 150.5 72.3 53.4 68.7 46 46 A E E +AC 4 35A 41 -11,-2.0 -11,-1.2 -2,-0.3 2,-0.3 -0.997 37.5 72.2-138.7 133.4 68.8 54.4 69.5 47 47 A G E S-A 3 0A 23 -44,-2.4 -44,-2.0 -2,-0.4 2,-0.1 -0.987 77.4 -8.3 162.6-160.7 66.9 57.7 69.2 48 48 A E E > -A 2 0A 87 -2,-0.3 4,-2.3 -46,-0.2 5,-0.2 -0.388 57.6-126.1 -67.0 138.9 65.3 60.1 66.8 49 49 A F H > S+ 0 0 12 -48,-2.8 4,-2.6 1,-0.2 5,-0.2 0.920 108.2 54.0 -51.0 -49.7 65.9 59.5 63.1 50 50 A D H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 110.4 44.6 -52.7 -49.4 67.2 63.0 62.5 51 51 A E H > S+ 0 0 50 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.884 112.2 51.9 -66.2 -39.5 69.8 62.8 65.3 52 52 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.924 108.5 50.2 -65.7 -42.5 71.0 59.3 64.3 53 53 A X H X S+ 0 0 17 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.917 113.6 47.4 -60.7 -39.0 71.5 60.3 60.7 54 54 A R H X S+ 0 0 133 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.943 114.4 45.2 -65.1 -48.6 73.5 63.3 62.0 55 55 A I H X S+ 0 0 1 -4,-3.2 4,-3.2 2,-0.2 -2,-0.2 0.894 111.2 53.8 -63.4 -39.4 75.5 61.1 64.4 56 56 A L H X S+ 0 0 2 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.946 109.5 48.0 -59.5 -49.2 76.1 58.5 61.6 57 57 A K H X S+ 0 0 62 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.893 115.0 44.8 -59.7 -42.9 77.5 61.1 59.3 58 58 A E H X S+ 0 0 75 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.928 109.8 55.1 -68.2 -44.5 79.8 62.5 61.9 59 59 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.923 111.2 45.6 -53.8 -45.4 80.9 59.1 63.1 60 60 A L H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.881 110.5 52.2 -67.6 -37.7 81.9 58.3 59.5 61 61 A E H X S+ 0 0 74 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.872 109.6 51.2 -66.1 -35.4 83.7 61.7 59.0 62 62 A V H >< S+ 0 0 32 -4,-2.8 3,-1.2 2,-0.2 -2,-0.2 0.971 112.1 45.5 -63.8 -51.5 85.6 61.0 62.2 63 63 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 4,-0.5 0.876 109.3 56.7 -58.3 -39.5 86.7 57.5 61.0 64 64 A G H 3< S+ 0 0 36 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.668 99.8 58.9 -68.0 -18.1 87.6 59.0 57.6 65 65 A Q T << S+ 0 0 170 -3,-1.2 -1,-0.3 -4,-0.8 3,-0.1 -0.299 107.9 45.9-105.3 47.5 90.0 61.4 59.2 66 66 A E S < S+ 0 0 76 -3,-0.8 2,-0.3 1,-0.6 -45,-0.2 0.230 120.9 26.8-159.3 -10.7 92.0 58.6 60.7 67 67 A A - 0 0 8 -4,-0.5 -1,-0.6 -3,-0.2 3,-0.1 -0.970 65.4-136.4-156.7 151.0 92.3 56.3 57.6 68 68 A D S S+ 0 0 153 -2,-0.3 2,-0.5 1,-0.2 -4,-0.1 0.737 96.7 45.9 -85.2 -23.4 92.2 56.9 53.9 69 69 A N + 0 0 23 -57,-0.1 -57,-2.2 193,-0.1 2,-0.5 -0.939 68.5 172.8-125.1 109.6 89.9 53.9 53.2 70 70 A V E -BD 11 260A 5 190,-0.8 190,-0.9 -2,-0.5 2,-0.4 -0.963 7.3-175.7-121.6 127.2 86.9 53.5 55.4 71 71 A F E -BD 10 259A 0 -61,-1.3 -61,-3.2 -2,-0.5 2,-0.4 -0.963 9.1-173.4-118.3 138.3 84.1 50.9 54.8 72 72 A A E -BD 9 258A 0 186,-2.7 186,-2.4 -2,-0.4 2,-0.5 -0.983 20.3-152.1-137.5 145.2 81.1 50.7 57.0 73 73 A N E -BD 8 257A 18 -65,-2.2 -65,-1.8 -2,-0.4 2,-0.4 -0.939 24.8-175.3-108.1 132.3 78.1 48.4 57.4 74 74 A V E -BD 7 256A 3 182,-2.9 182,-2.9 -2,-0.5 2,-0.5 -0.993 14.8-161.7-133.5 141.3 75.0 50.2 58.7 75 75 A K E -BD 6 255A 10 -69,-1.9 -69,-2.3 -2,-0.4 2,-0.4 -0.981 11.2-169.3-119.2 130.4 71.6 48.9 59.7 76 76 A I E -BD 5 254A 0 178,-2.7 178,-3.0 -2,-0.5 2,-0.4 -0.953 8.9-175.6-122.0 142.5 68.7 51.3 59.9 77 77 A N E +BD 4 253A 14 -73,-2.0 -73,-2.1 -2,-0.4 2,-0.3 -0.944 16.2 175.3-137.7 111.3 65.3 50.6 61.4 78 78 A V E +BD 3 252A 10 174,-2.5 174,-2.6 -2,-0.4 2,-0.3 -0.879 35.0 29.7-122.3 155.3 62.7 53.4 61.1 79 79 A G E S- D 0 251A 21 -77,-1.6 2,-2.4 -2,-0.3 172,-0.2 -0.754 114.7 -2.8 105.2-152.9 59.1 53.8 61.9 80 80 A E S S+ 0 0 105 170,-2.1 2,-0.2 -2,-0.3 -2,-0.1 -0.517 89.3 166.0 -77.5 78.2 57.0 52.2 64.7 81 81 A I - 0 0 10 -2,-2.4 2,-0.2 -4,-0.1 -2,-0.1 -0.650 40.1-111.6 -98.0 150.4 60.0 50.1 65.8 82 82 A L - 0 0 56 -2,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.508 40.7-110.6 -77.2 151.4 60.5 48.1 69.0 83 83 A S > - 0 0 29 -2,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.254 27.7-101.1 -79.0 169.1 63.1 49.5 71.4 84 84 A I H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.919 126.6 50.4 -55.9 -43.2 66.4 47.9 72.2 85 85 A D H 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.897 113.4 45.4 -60.9 -41.7 64.9 46.6 75.4 86 86 A E H >4 S+ 0 0 108 2,-0.2 3,-1.8 1,-0.2 -2,-0.2 0.921 111.3 49.5 -70.2 -46.5 61.9 45.2 73.6 87 87 A K H 3< S+ 0 0 13 -4,-3.2 3,-0.2 1,-0.3 -2,-0.2 0.965 105.5 59.7 -56.9 -49.7 63.8 43.5 70.7 88 88 A L T 3< S+ 0 0 72 -4,-2.4 -1,-0.3 -5,-0.3 2,-0.3 0.552 97.1 62.4 -57.7 -6.5 66.0 42.0 73.4 89 89 A E < 0 0 159 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.570 360.0 360.0-114.7 61.0 62.9 40.3 74.8 90 90 A K 0 0 80 -2,-0.3 -3,-0.1 -3,-0.2 203,-0.1 -0.264 360.0 360.0 -59.4 360.0 62.3 38.3 71.6 91 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 1 B X 0 0 145 0, 0.0 48,-2.8 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 -96.5 64.9 25.2 47.2 93 2 B K E +H 139 0B 72 46,-0.2 77,-1.8 77,-0.1 2,-0.3 -0.240 360.0 161.3 -51.1 138.8 65.3 28.4 45.2 94 3 B A E -HI 138 169B 2 44,-1.5 44,-2.0 75,-0.2 2,-0.3 -0.980 29.2-154.0-157.8 163.5 67.8 30.6 46.9 95 4 B S E -HI 137 168B 2 73,-2.0 73,-1.8 -2,-0.3 2,-0.3 -0.976 7.5-165.7-149.0 131.1 70.1 33.6 46.2 96 5 B I E -HI 136 167B 0 40,-1.8 40,-3.1 -2,-0.3 2,-0.5 -0.882 6.3-160.5-116.3 146.4 73.3 34.5 47.9 97 6 B A E -HI 135 166B 0 69,-1.6 69,-1.9 -2,-0.3 2,-0.5 -0.985 19.1-161.5-126.5 114.7 75.0 37.9 47.7 98 7 B L E +HI 134 165B 5 36,-3.8 36,-3.8 -2,-0.5 2,-0.4 -0.881 17.1 173.9-109.8 130.1 78.7 37.5 48.7 99 8 B Q E - 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