==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-OCT-00 1G2R . COMPND 2 MOLECULE: HYPOTHETICAL CYTOSOLIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.OSIPIUK,P.GORNICKI,L.MAJ,A.JOACHIMIAK,MIDWEST CENTER FOR . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 66.0 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 . 14 14.9 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 . 0 0.0 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 1 0 0 0 1 0 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A R 0 0 253 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.9 17.0 7.7 12.4 2 5 A K - 0 0 204 1,-0.2 3,-0.0 2,-0.0 0, 0.0 0.909 360.0-163.2 49.4 56.2 16.2 10.2 9.6 3 6 A I - 0 0 60 1,-0.1 -1,-0.2 0, 0.0 14,-0.1 -0.469 18.9-114.3 -77.5 128.8 13.8 7.7 8.1 4 7 A P - 0 0 94 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.293 24.6-136.4 -57.2 137.1 12.9 8.5 4.6 5 8 A L - 0 0 88 -3,-0.0 2,-0.1 9,-0.0 11,-0.1 -0.883 21.2-144.4 -98.9 127.2 9.2 9.4 4.1 6 9 A R - 0 0 112 -2,-0.5 9,-2.9 9,-0.3 2,-0.4 -0.423 11.9-111.1 -93.5 166.6 7.6 7.8 1.1 7 10 A K B -A 14 0A 133 7,-0.2 38,-0.4 -2,-0.1 2,-0.4 -0.773 28.3-118.9-100.0 138.1 4.9 9.0 -1.3 8 11 A S > - 0 0 2 5,-2.8 4,-2.0 -2,-0.4 38,-0.2 -0.616 7.1-150.2 -72.5 134.7 1.4 7.6 -1.4 9 12 A V T 4 S+ 0 0 43 36,-2.9 -1,-0.1 -2,-0.4 37,-0.1 0.672 99.0 49.9 -75.9 -15.6 0.4 6.0 -4.7 10 13 A V T 4 S+ 0 0 29 35,-0.4 -1,-0.2 3,-0.1 36,-0.1 0.904 128.8 13.1 -84.2 -50.8 -3.2 7.1 -3.9 11 14 A S T 4 S- 0 0 38 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.427 87.5-129.3-104.5 -14.4 -2.8 10.8 -3.0 12 15 A N < + 0 0 131 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.661 66.7 131.4 64.8 20.6 0.8 11.6 -4.2 13 16 A E - 0 0 107 -5,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.672 68.1 -97.7-100.1 157.5 1.5 13.1 -0.8 14 17 A V B -A 7 0A 76 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.524 41.7-135.3 -70.8 135.7 4.4 12.5 1.6 15 18 A I - 0 0 1 -9,-2.9 -9,-0.3 -2,-0.2 5,-0.1 -0.829 12.1-120.5 -98.0 126.7 3.4 9.9 4.2 16 19 A D >> - 0 0 103 -2,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.376 28.4-116.9 -58.4 145.2 4.3 10.4 7.9 17 20 A K G >4 S+ 0 0 115 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.904 115.9 54.5 -51.0 -43.6 6.5 7.6 9.3 18 21 A R G 34 S+ 0 0 124 1,-0.3 -1,-0.3 29,-0.0 -2,-0.1 0.738 110.4 48.1 -62.1 -25.3 3.7 6.5 11.7 19 22 A D G <4 S+ 0 0 46 -3,-1.7 29,-2.2 28,-0.0 -1,-0.3 0.406 80.2 127.2 -99.5 0.8 1.2 6.2 8.8 20 23 A L E << +B 47 0B 67 -3,-1.4 2,-0.4 -4,-0.6 27,-0.2 -0.422 30.4 177.6 -72.0 130.8 3.3 4.2 6.3 21 24 A L E -B 46 0B 8 25,-1.9 25,-2.2 -2,-0.2 2,-0.4 -0.988 14.0-151.6-132.7 127.7 1.8 1.1 4.9 22 25 A R E -BC 45 34B 35 12,-0.5 12,-3.0 -2,-0.4 2,-0.4 -0.815 7.1-168.7-100.6 132.2 3.5 -1.1 2.3 23 26 A I E -BC 44 33B 0 21,-2.9 21,-2.5 -2,-0.4 2,-0.4 -0.952 16.4-159.6-113.1 131.4 1.7 -3.3 -0.3 24 27 A V E -BC 43 32B 0 8,-3.1 8,-2.5 -2,-0.4 2,-0.5 -0.937 15.5-162.6-119.8 141.4 3.9 -5.8 -2.2 25 28 A K E -BC 42 31B 48 17,-2.2 17,-3.2 -2,-0.4 6,-0.2 -0.981 17.7-157.1-116.6 122.6 3.5 -7.6 -5.5 26 29 A N > - 0 0 21 4,-2.4 3,-1.7 -2,-0.5 15,-0.1 -0.453 34.5 -97.6 -90.9 178.7 5.9 -10.6 -5.9 27 30 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 14,-0.0 0.722 120.8 64.0 -71.0 -18.4 7.0 -12.2 -9.2 28 31 A E T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.392 119.9-107.4 -85.3 1.8 4.3 -14.9 -8.9 29 32 A G S < S+ 0 0 31 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.735 72.8 141.3 81.3 15.6 1.6 -12.2 -9.2 30 33 A Q - 0 0 117 40,-0.1 -4,-2.4 -4,-0.1 2,-0.4 -0.773 34.8-159.8 -90.6 140.7 0.6 -12.3 -5.5 31 34 A V E +C 25 0B 23 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.989 20.9 158.0-122.0 131.5 -0.2 -9.0 -3.8 32 35 A F E -C 24 0B 69 -8,-2.5 -8,-3.1 -2,-0.4 2,-0.3 -0.962 43.9 -99.2-150.9 163.1 -0.2 -8.7 -0.0 33 36 A I E -C 23 0B 19 -2,-0.3 -10,-0.2 -10,-0.2 -2,-0.0 -0.695 29.7-159.1 -81.7 136.3 0.1 -6.3 2.8 34 37 A D E > +C 22 0B 13 -12,-3.0 3,-0.8 -2,-0.3 -12,-0.5 -0.773 12.9 177.9-121.7 83.4 3.7 -6.1 4.3 35 38 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 0.776 80.5 47.7 -59.0 -25.2 3.4 -4.7 7.8 36 39 A T T 3 S- 0 0 100 -14,-0.0 -2,-0.0 -15,-0.0 -15,-0.0 0.634 95.3-136.5 -89.6 -16.6 7.2 -5.0 8.6 37 40 A G S < S+ 0 0 39 -3,-0.8 -14,-0.0 -15,-0.1 6,-0.0 0.469 77.2 105.9 73.7 10.8 8.4 -3.4 5.3 38 41 A K + 0 0 170 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.495 47.6 115.4-102.9 1.6 11.1 -6.2 5.0 39 42 A A - 0 0 26 -5,-0.1 2,-0.4 1,-0.1 4,-0.1 -0.121 60.3-128.5 -78.2 152.8 9.5 -8.2 2.2 40 43 A N + 0 0 141 2,-0.1 2,-0.3 -16,-0.0 -1,-0.1 -0.830 66.3 73.0 -88.9 151.4 10.9 -8.7 -1.3 41 44 A G S S- 0 0 33 -2,-0.4 2,-0.5 -15,-0.1 -15,-0.3 -0.834 97.4 -44.7 127.3-174.9 8.8 -8.0 -4.4 42 45 A R E -B 25 0B 161 -17,-3.2 -17,-2.2 -2,-0.3 2,-0.3 -0.791 61.8-147.1 -90.3 127.3 7.7 -4.7 -5.8 43 46 A G E -B 24 0B 33 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.694 18.5-179.1-101.1 147.3 6.4 -2.2 -3.1 44 47 A A E -B 23 0B 5 -21,-2.5 -21,-2.9 -2,-0.3 2,-0.4 -0.995 19.2-144.5-138.9 138.9 3.7 0.5 -3.3 45 48 A Y E +B 22 0B 29 -38,-0.4 -36,-2.9 -2,-0.3 -35,-0.4 -0.865 20.1 170.3-115.9 145.4 2.8 2.7 -0.3 46 49 A I E -B 21 0B 0 -25,-2.2 -25,-1.9 -2,-0.4 2,-0.3 -0.893 39.3 -96.7-135.2 164.9 -0.3 4.3 1.1 47 50 A K E -B 20 0B 37 -2,-0.3 2,-2.1 -27,-0.2 -27,-0.2 -0.693 37.6-112.9 -75.1 149.6 -1.2 6.1 4.2 48 51 A L S S+ 0 0 16 -29,-2.2 2,-0.3 -2,-0.3 -28,-0.1 -0.541 79.4 124.0 -80.6 81.0 -2.8 4.1 7.0 49 52 A D > - 0 0 62 -2,-2.1 4,-2.3 1,-0.1 5,-0.2 -0.990 68.4-133.4-151.0 132.2 -6.0 6.0 6.4 50 53 A N H > S+ 0 0 66 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.864 107.4 54.9 -61.9 -37.2 -9.5 4.9 5.6 51 54 A A H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 110.0 46.1 -62.9 -42.7 -9.9 7.5 2.9 52 55 A E H > S+ 0 0 10 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.910 111.0 51.7 -68.2 -38.9 -6.7 6.2 1.1 53 56 A A H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.904 112.9 46.4 -63.0 -42.1 -7.7 2.6 1.4 54 57 A L H X S+ 0 0 86 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.951 112.7 48.5 -63.1 -45.2 -11.1 3.4 -0.1 55 58 A E H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 6,-0.3 0.873 104.0 61.6 -64.5 -35.3 -9.6 5.4 -2.9 56 59 A A H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.6 0.934 111.4 39.3 -55.4 -43.7 -7.1 2.6 -3.6 57 60 A K H ><5S+ 0 0 67 -4,-1.5 3,-0.7 3,-0.2 -2,-0.2 0.939 113.3 53.7 -71.7 -42.4 -10.1 0.4 -4.4 58 61 A K H 3<5S+ 0 0 133 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.893 121.5 31.5 -61.3 -36.2 -12.1 3.0 -6.3 59 62 A K H 3<5S- 0 0 109 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.489 99.5-130.9 -99.9 0.6 -9.2 3.7 -8.6 60 63 A K T XX5 + 0 0 111 -3,-0.7 3,-1.4 -4,-0.6 4,-1.0 0.934 39.9 177.3 46.3 52.7 -7.7 0.2 -8.6 61 64 A V H 3>< + 0 0 15 -5,-2.1 4,-1.9 1,-0.3 3,-0.1 0.782 67.0 52.5 -64.6 -31.6 -4.5 2.0 -7.8 62 65 A F H 3> S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.725 97.4 66.7 -78.3 -17.5 -2.2 -1.0 -7.5 63 66 A N H <>>S+ 0 0 28 -3,-1.4 5,-1.5 2,-0.2 4,-0.6 0.912 107.1 42.6 -61.5 -44.8 -3.3 -2.4 -10.9 64 67 A R H ><5S+ 0 0 181 -4,-1.0 3,-0.9 3,-0.2 -2,-0.2 0.967 115.8 47.3 -61.8 -52.2 -1.6 0.5 -12.4 65 68 A S H 3<5S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 122.7 34.4 -59.3 -40.1 1.5 0.3 -10.1 66 69 A F H 3<5S- 0 0 2 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.300 100.8-124.4-103.6 0.7 1.9 -3.5 -10.6 67 70 A S T <<5S+ 0 0 112 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.899 77.2 91.4 53.2 48.6 0.8 -3.9 -14.2 68 71 A M S > - 0 0 135 -2,-0.3 4,-1.4 1,-0.1 3,-1.4 -0.256 17.0-129.0 -63.9 140.2 -8.2 -9.1 -7.1 72 75 A E H 3> S+ 0 0 129 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.861 108.9 65.3 -56.6 -37.0 -11.2 -7.3 -5.6 73 76 A S H 3> S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.807 98.5 52.9 -54.8 -36.9 -10.7 -9.4 -2.6 74 77 A F H <> S+ 0 0 8 -3,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.932 108.0 49.1 -64.5 -45.9 -7.3 -7.8 -2.0 75 78 A Y H X S+ 0 0 6 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.904 113.2 47.9 -57.4 -40.2 -8.8 -4.3 -2.1 76 79 A D H X S+ 0 0 56 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.878 109.9 52.5 -69.2 -35.1 -11.5 -5.4 0.4 77 80 A E H X S+ 0 0 103 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.917 109.2 49.8 -62.1 -46.4 -8.8 -7.0 2.6 78 81 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.931 109.6 51.4 -63.3 -39.9 -6.9 -3.7 2.6 79 82 A I H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.935 113.8 44.0 -59.4 -45.7 -10.0 -1.7 3.5 80 83 A A H X S+ 0 0 60 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.913 113.2 51.3 -69.5 -38.0 -10.7 -4.0 6.4 81 84 A Y H X S+ 0 0 56 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.952 114.2 43.1 -60.2 -51.6 -7.1 -4.0 7.5 82 85 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.923 111.6 54.3 -63.2 -43.2 -6.9 -0.2 7.5 83 86 A D H X S+ 0 0 93 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.948 112.0 44.9 -57.7 -47.0 -10.3 0.1 9.2 84 87 A H H X S+ 0 0 109 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.946 115.2 46.5 -65.7 -43.5 -9.2 -2.1 12.0 85 88 A K H X S+ 0 0 48 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.922 111.7 50.7 -68.1 -39.9 -5.8 -0.5 12.5 86 89 A V H X S+ 0 0 21 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.919 109.8 51.3 -64.3 -38.9 -7.2 3.0 12.4 87 90 A K H X S+ 0 0 130 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.945 110.5 48.4 -63.7 -45.2 -9.7 2.1 15.0 88 91 A R H <>S+ 0 0 83 -4,-2.4 5,-2.7 1,-0.2 6,-0.6 0.919 112.7 48.5 -60.8 -41.7 -7.0 0.7 17.3 89 92 A R H ><5S+ 0 0 48 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.911 108.9 52.1 -66.0 -38.0 -4.9 3.8 16.8 90 93 A E H 3<5S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.5 49.1 -68.2 -29.5 -7.8 6.1 17.6 91 94 A L T 3<5S- 0 0 112 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.376 117.0-116.6 -86.7 1.9 -8.4 4.2 20.8 92 95 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.719 77.1 129.5 70.6 24.2 -4.8 4.4 21.7 93 96 A L < 0 0 103 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.672 360.0 360.0 -82.8 -20.3 -4.2 0.7 21.5 94 97 A E 0 0 75 -6,-0.6 -2,-0.2 -9,-0.1 -1,-0.1 -0.898 360.0 360.0-157.8 360.0 -1.2 1.1 19.3