==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3TEP . COMPND 2 MOLECULE: CPS2A, INTEGRAL MEMBRANE REGULATORY PROTEIN WZG; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.KAWAI,J.MARLES-WRIGHT,R.M.CLEVERLEY,R.EMMINS,S.ISHIKAWA,M. . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 1 0 0 1 2 2 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 3 1 1 0 0 2 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 . 3 1 0 1 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 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 1 110 A S 0 0 94 0, 0.0 103,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.5 6.5 14.1 -28.0 2 111 A E E +A 103 0A 171 101,-0.2 2,-0.3 99,-0.0 101,-0.2 -0.801 360.0 155.1-110.5 141.6 6.9 10.4 -27.3 3 112 A Y E -A 102 0A 25 99,-1.9 99,-3.1 -2,-0.3 2,-0.3 -0.914 23.2-141.0-145.6 174.6 5.3 7.9 -24.9 4 113 A S E -A 101 0A 29 -2,-0.3 73,-3.1 97,-0.2 2,-0.4 -0.980 5.2-147.2-140.5 152.5 4.8 4.2 -24.9 5 114 A L E -AB 100 76A 0 95,-2.4 95,-2.9 -2,-0.3 2,-0.3 -0.941 25.8-178.7-112.0 146.0 2.2 1.5 -23.9 6 115 A S E -AB 99 75A 1 69,-2.6 69,-2.5 -2,-0.4 2,-0.6 -0.924 32.2-124.3-138.9 158.9 3.3 -1.9 -22.7 7 116 A V E -AB 98 74A 0 91,-1.9 90,-2.5 -2,-0.3 91,-1.0 -0.962 40.3-169.6-101.8 124.3 2.0 -5.2 -21.5 8 117 A A E +AB 96 73A 0 65,-2.8 65,-2.4 -2,-0.6 2,-0.3 -0.899 15.1 174.5-119.9 145.9 3.4 -5.8 -18.0 9 118 A V E -A 95 0A 0 86,-2.2 86,-2.5 -2,-0.4 63,-0.1 -0.847 48.0 -68.0-134.7 171.6 3.4 -8.8 -15.8 10 119 A L E > -A 94 0A 63 61,-0.5 3,-2.2 -2,-0.3 84,-0.3 -0.303 49.7-112.1 -61.2 146.9 5.1 -9.5 -12.4 11 120 A A T 3 S+ 0 0 39 82,-2.5 83,-0.1 1,-0.3 -1,-0.1 0.825 116.7 40.7 -50.8 -38.6 8.9 -9.7 -12.5 12 121 A D T 3 S+ 0 0 164 81,-0.2 -1,-0.3 83,-0.0 -2,-0.1 0.191 86.5 136.0 -99.3 15.0 9.0 -13.5 -11.7 13 122 A S < - 0 0 22 -3,-2.2 -4,-0.1 1,-0.1 58,-0.0 -0.281 57.8-138.0 -62.3 146.0 6.0 -14.4 -13.9 14 123 A E S S+ 0 0 143 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.653 76.6 106.8 -76.2 -16.0 6.3 -17.5 -16.1 15 124 A I + 0 0 9 1,-0.2 -2,-0.1 56,-0.1 3,-0.1 -0.510 39.1 168.5 -67.9 122.9 4.6 -15.4 -18.9 16 125 A E + 0 0 81 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.659 58.6 18.0-107.0 -28.3 7.2 -14.5 -21.5 17 126 A N S > S- 0 0 58 1,-0.1 3,-1.5 81,-0.0 -1,-0.3 -0.969 74.3-106.9-149.8 164.6 5.1 -13.2 -24.4 18 127 A V G > S+ 0 0 2 79,-0.4 3,-1.5 -2,-0.3 80,-0.1 0.710 109.1 68.1 -66.7 -24.3 1.7 -11.8 -25.3 19 128 A T G 3 S+ 0 0 70 1,-0.3 -1,-0.3 29,-0.0 30,-0.1 0.764 91.9 63.9 -67.5 -22.8 0.6 -14.9 -27.2 20 129 A Q G < S+ 0 0 88 -3,-1.5 2,-0.3 2,-0.0 -1,-0.3 0.503 93.5 81.3 -77.6 -5.4 0.5 -16.7 -23.8 21 130 A L < - 0 0 7 -3,-1.5 3,-0.1 -4,-0.1 28,-0.1 -0.706 49.2-175.7-101.9 154.2 -2.3 -14.4 -22.6 22 131 A T S S+ 0 0 108 1,-0.3 29,-1.8 -2,-0.3 2,-0.3 0.623 76.1 17.4-112.0 -29.7 -6.0 -14.5 -23.2 23 132 A S E -c 51 0A 30 27,-0.2 2,-0.3 29,-0.0 -1,-0.3 -0.914 58.4-156.9-138.3 165.4 -6.8 -11.2 -21.4 24 133 A V E -c 52 0A 1 27,-2.1 29,-2.5 -2,-0.3 2,-0.4 -0.997 21.2-125.9-143.8 142.0 -5.3 -8.0 -20.1 25 134 A T E +cd 53 73A 9 47,-2.3 49,-2.5 -2,-0.3 29,-0.2 -0.760 43.6 153.9 -88.2 131.1 -6.4 -5.5 -17.4 26 135 A A E -c 54 0A 0 27,-2.1 2,-1.9 -2,-0.4 29,-1.7 -0.989 52.8-112.3-157.9 145.7 -6.6 -1.9 -18.6 27 136 A P >> + 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.507 44.0 162.3 -80.9 72.4 -8.4 1.4 -17.8 28 137 A T T 34 + 0 0 23 -2,-1.9 4,-0.4 1,-0.2 28,-0.1 0.604 66.4 68.9 -69.3 -10.6 -10.5 1.5 -21.0 29 138 A G T 34 S+ 0 0 58 26,-0.5 -1,-0.2 -3,-0.2 27,-0.1 0.803 118.3 16.8 -71.8 -28.4 -12.8 4.0 -19.4 30 139 A T T <4 S+ 0 0 58 -3,-1.3 -2,-0.2 2,-0.0 -1,-0.1 0.531 135.5 32.6-126.3 -13.4 -10.1 6.7 -19.5 31 140 A D S X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.1 3,-0.2 -0.041 72.0 132.9-135.7 34.6 -7.3 5.7 -21.9 32 141 A N H > + 0 0 72 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.829 66.2 57.6 -59.8 -40.4 -9.3 3.8 -24.5 33 142 A E H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.945 114.1 38.5 -58.2 -50.2 -7.8 5.4 -27.6 34 143 A N H > S+ 0 0 13 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 115.9 52.6 -64.8 -43.2 -4.2 4.4 -26.7 35 144 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.949 108.3 49.8 -61.6 -48.0 -5.3 1.0 -25.3 36 145 A Q H X S+ 0 0 84 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.847 108.6 53.3 -60.0 -37.8 -7.2 0.0 -28.5 37 146 A K H X S+ 0 0 96 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.852 109.6 48.5 -64.3 -38.4 -4.1 1.0 -30.6 38 147 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.949 111.6 49.2 -64.9 -48.6 -2.0 -1.3 -28.5 39 148 A L H X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.845 111.8 49.6 -58.6 -35.6 -4.5 -4.1 -28.9 40 149 A A H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.868 109.5 50.9 -69.9 -38.8 -4.6 -3.5 -32.7 41 150 A D H X S+ 0 0 48 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.917 110.9 49.3 -63.6 -44.2 -0.7 -3.6 -32.9 42 151 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 6,-0.5 0.911 111.6 48.1 -60.8 -46.2 -0.7 -6.9 -30.9 43 152 A K H X S+ 0 0 85 -4,-2.0 4,-1.0 4,-0.2 -1,-0.2 0.889 115.0 47.2 -60.8 -41.2 -3.4 -8.3 -33.3 44 153 A S H < S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.925 122.1 31.0 -67.7 -47.2 -1.4 -7.2 -36.3 45 154 A S H < S+ 0 0 59 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.704 135.9 22.5 -89.4 -22.5 2.1 -8.4 -35.3 46 155 A Q H < S- 0 0 89 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.291 90.7-129.1-128.8 2.0 1.2 -11.5 -33.2 47 156 A N < + 0 0 123 -4,-1.0 2,-0.4 -5,-0.3 -4,-0.2 0.900 62.8 138.6 39.1 55.7 -2.2 -12.4 -34.5 48 157 A T - 0 0 20 -6,-0.5 2,-0.5 -9,-0.2 -1,-0.2 -0.998 43.2-152.5-131.8 126.4 -3.4 -12.6 -30.9 49 158 A D - 0 0 114 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.1 -0.886 13.6-168.1-102.1 126.8 -6.8 -11.2 -29.7 50 159 A L - 0 0 20 -2,-0.5 2,-0.2 -11,-0.1 -27,-0.2 -0.944 12.9-143.2-116.2 134.6 -7.0 -10.1 -26.1 51 160 A T E -c 23 0A 96 -29,-1.8 -27,-2.1 -2,-0.4 2,-0.5 -0.646 25.6-122.5 -84.5 154.1 -10.2 -9.3 -24.1 52 161 A V E -c 24 0A 42 -2,-0.2 2,-0.8 -29,-0.2 -27,-0.2 -0.867 11.1-156.5-105.1 126.8 -10.0 -6.4 -21.6 53 162 A N E -c 25 0A 68 -29,-2.5 -27,-2.1 -2,-0.5 2,-0.2 -0.924 35.2-128.7 -90.8 110.3 -10.7 -6.6 -17.9 54 163 A Q E -c 26 0A 137 -2,-0.8 2,-0.3 -29,-0.2 -29,-0.1 -0.420 25.9-168.7 -67.9 130.9 -11.5 -2.9 -17.3 55 164 A S - 0 0 12 -29,-1.7 -26,-0.5 -2,-0.2 3,-0.1 -0.828 29.8-124.2-108.3 160.0 -9.7 -1.2 -14.4 56 165 A S S S- 0 0 98 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.644 87.5 -17.3 -76.1 -14.4 -10.7 2.2 -12.9 57 166 A S S > S- 0 0 26 1,-0.1 4,-2.0 -28,-0.0 -1,-0.1 -0.966 71.3 -93.0-172.7 168.7 -7.2 3.5 -13.6 58 167 A Y H > S+ 0 0 11 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.898 126.0 54.3 -62.2 -39.7 -3.5 2.5 -14.3 59 168 A L H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 109.1 47.3 -58.6 -47.2 -3.0 2.7 -10.5 60 169 A A H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 110.5 51.9 -62.6 -39.5 -5.9 0.2 -10.0 61 170 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 109.7 50.1 -62.3 -44.7 -4.6 -2.1 -12.7 62 171 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.918 108.8 52.0 -59.5 -44.2 -1.1 -2.1 -11.0 63 172 A K H X S+ 0 0 59 -4,-2.3 4,-1.7 1,-0.2 6,-0.2 0.914 108.8 50.3 -59.0 -43.0 -2.8 -2.9 -7.6 64 173 A S H <>S+ 0 0 30 -4,-2.2 5,-2.2 2,-0.2 6,-1.0 0.861 109.7 52.9 -61.6 -37.0 -4.6 -5.9 -9.2 65 174 A L H ><5S+ 0 0 1 -4,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.959 111.8 41.7 -64.5 -53.7 -1.3 -7.1 -10.7 66 175 A I H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.736 112.6 55.7 -70.5 -20.9 0.6 -7.1 -7.4 67 176 A A T 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.553 112.9-121.5 -82.7 -8.7 -2.4 -8.6 -5.6 68 177 A G T < 5S+ 0 0 59 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.626 78.1 125.2 77.6 14.9 -2.4 -11.5 -8.2 69 178 A E S > -B 5 0A 1 -2,-0.4 3,-1.3 -71,-0.2 4,-0.9 -0.956 19.8-136.5-106.4 123.2 1.0 3.8 -20.3 77 186 A S H 3> S+ 0 0 31 -73,-3.1 4,-0.6 -2,-0.5 3,-0.4 0.779 101.8 60.3 -51.9 -36.0 4.4 5.3 -19.6 78 187 A V H >4 S+ 0 0 32 -74,-0.3 3,-0.6 1,-0.2 4,-0.3 0.883 108.0 44.8 -57.3 -41.4 2.9 8.7 -18.8 79 188 A F H <> S+ 0 0 37 -3,-1.3 4,-2.4 1,-0.2 3,-0.4 0.581 92.4 77.8 -88.6 -9.5 0.9 7.1 -15.9 80 189 A E H 3X S+ 0 0 15 -4,-0.9 4,-2.0 -3,-0.4 -1,-0.2 0.824 91.2 58.2 -60.2 -32.9 3.8 5.0 -14.5 81 190 A N H << S+ 0 0 47 -4,-0.6 4,-0.3 -3,-0.6 -1,-0.2 0.782 107.2 47.0 -68.5 -29.8 5.0 8.3 -13.0 82 191 A I H >> S+ 0 0 12 -3,-0.4 3,-1.6 -4,-0.3 4,-0.7 0.910 109.2 52.0 -74.1 -48.8 1.6 8.6 -11.2 83 192 A I H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 3,-0.8 0.882 100.7 65.7 -52.0 -39.1 1.8 4.9 -10.0 84 193 A E H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.707 88.5 67.5 -60.7 -22.0 5.2 5.8 -8.6 85 194 A L H <4 S+ 0 0 41 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.930 115.8 24.2 -65.0 -45.8 3.7 8.2 -6.1 86 195 A E H << S+ 0 0 32 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.750 135.5 37.2 -88.5 -25.7 2.0 5.4 -4.1 87 196 A Y >< + 0 0 55 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.2 -0.697 62.4 174.4-130.2 79.2 4.4 2.7 -5.2 88 197 A P T 3 S+ 0 0 99 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.742 83.4 49.2 -58.7 -26.5 8.0 4.0 -5.4 89 198 A D T >> S+ 0 0 70 1,-0.2 3,-1.1 2,-0.1 4,-0.6 0.177 74.0 116.7 -97.0 15.7 9.4 0.5 -6.2 90 199 A Y H X> + 0 0 21 -3,-2.0 3,-1.1 1,-0.3 4,-0.6 0.825 68.9 59.9 -56.5 -36.1 6.9 -0.4 -8.9 91 200 A A H >4 S+ 0 0 60 -3,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.856 104.0 50.8 -63.5 -33.3 9.5 -0.6 -11.7 92 201 A S H <4 S+ 0 0 84 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.595 104.2 58.9 -79.8 -12.1 11.3 -3.4 -9.8 93 202 A K H << S+ 0 0 87 -3,-1.1 -82,-2.5 -4,-0.6 2,-0.3 0.575 105.0 53.8 -90.3 -12.0 8.1 -5.4 -9.3 94 203 A I E << -A 10 0A 18 -3,-0.7 2,-0.3 -4,-0.6 -84,-0.2 -0.811 55.0-159.5-124.8 159.0 7.3 -5.8 -13.1 95 204 A K E -A 9 0A 63 -86,-2.5 -86,-2.2 -2,-0.3 2,-0.4 -0.947 22.9-131.1-126.6 156.6 8.7 -6.9 -16.4 96 205 A K E +A 8 0A 84 -2,-0.3 -88,-0.2 -88,-0.2 3,-0.1 -0.912 21.2 178.3-109.5 132.9 7.4 -5.8 -19.8 97 206 A I E S+ 0 0 32 -90,-2.5 -79,-0.4 -2,-0.4 2,-0.3 0.505 73.1 26.7-111.7 -8.8 6.8 -8.4 -22.5 98 207 A Y E -A 7 0A 31 -91,-1.0 -91,-1.9 -81,-0.1 2,-0.3 -0.966 65.4-171.2-154.3 140.1 5.5 -6.1 -25.2 99 208 A T E -A 6 0A 89 -2,-0.3 2,-0.4 -93,-0.2 -93,-0.2 -1.000 3.9-173.2-139.6 133.4 6.2 -2.5 -26.0 100 209 A K E -A 5 0A 50 -95,-2.9 -95,-2.4 -2,-0.3 2,-0.2 -0.983 17.4-140.1-131.3 124.1 4.6 0.0 -28.5 101 210 A G E -A 4 0A 55 -2,-0.4 2,-0.3 -97,-0.2 -97,-0.2 -0.527 20.4-171.8 -79.5 141.3 5.9 3.6 -29.1 102 211 A F E -A 3 0A 14 -99,-3.1 -99,-1.9 -2,-0.2 2,-0.4 -0.945 12.1-151.3-129.9 155.4 3.5 6.4 -29.6 103 212 A T E -A 2 0A 93 -2,-0.3 2,-0.4 -101,-0.2 -101,-0.2 -0.991 6.9-155.2-127.5 136.7 3.8 10.1 -30.7 104 213 A K - 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