==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR 07-JUN-99 1QQR . COMPND 2 MOLECULE: STREPTOKINASE DOMAIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS DYSGALACTIAE SUBSP. . AUTHOR G.SPRAGGON,X.X.ZHANG,C.P.PONTING,V.F.FOX,C.PHILLIPS, . 547 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 61 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 10.2 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 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 9 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 4 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 1 151 A I 0 0 130 0, 0.0 3,-0.3 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 91.4 32.0 -12.7 39.4 2 152 A Q + 0 0 131 1,-0.2 2,-0.6 98,-0.0 97,-0.0 0.951 360.0 23.9 -77.7 -56.5 33.6 -16.1 40.2 3 153 A N S S- 0 0 55 436,-0.1 97,-3.6 97,-0.1 -1,-0.2 -0.781 81.7-148.4-118.9 85.9 31.9 -17.4 43.4 4 154 A Q B -A 99 0A 100 -2,-0.6 95,-0.3 -3,-0.3 93,-0.0 -0.261 30.2 -99.5 -55.8 131.5 28.5 -15.7 43.7 5 155 A A - 0 0 3 93,-3.7 35,-0.3 1,-0.2 93,-0.1 -0.187 26.4-147.4 -49.7 142.9 27.5 -15.1 47.3 6 156 A K S S+ 0 0 137 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.610 74.7 3.1 -91.6 -12.4 25.0 -17.8 48.4 7 157 A S - 0 0 35 32,-0.1 109,-0.7 2,-0.0 2,-0.4 -0.982 57.6-146.9-166.0 155.8 23.1 -15.6 50.7 8 158 A V E -Bc 38 116B 0 30,-2.4 30,-2.6 -2,-0.3 2,-0.6 -0.949 13.1-147.1-136.4 114.5 22.9 -12.0 52.0 9 159 A D E -Bc 37 117B 31 107,-2.7 109,-2.6 -2,-0.4 2,-0.8 -0.728 19.8-147.0 -77.8 121.2 21.8 -11.2 55.5 10 160 A V E -Bc 36 118B 0 26,-3.5 25,-3.2 -2,-0.6 26,-1.2 -0.828 17.6-171.1 -96.1 109.6 20.0 -7.9 55.2 11 161 A E E -Bc 34 119B 55 107,-3.4 109,-3.4 -2,-0.8 2,-0.4 -0.708 5.5-151.9 -97.7 153.0 20.5 -5.9 58.3 12 162 A Y E +Bc 33 120B 2 21,-3.2 21,-2.2 -2,-0.3 2,-0.4 -0.967 16.2 174.8-131.3 136.8 18.6 -2.7 59.1 13 163 A T E - c 0 121B 20 107,-2.6 109,-2.7 -2,-0.4 2,-0.4 -0.999 8.5-172.8-138.5 138.7 19.4 0.4 61.0 14 164 A V E - c 0 122B 15 -2,-0.4 2,-0.4 107,-0.2 109,-0.2 -0.994 11.0-158.4-136.1 139.8 17.3 3.6 61.3 15 165 A Q E - c 0 123B 109 107,-2.5 109,-2.2 -2,-0.4 2,-0.5 -0.928 14.4-150.3-114.0 139.0 17.8 7.0 62.9 16 166 A F E - c 0 124B 20 -2,-0.4 109,-0.2 107,-0.2 107,-0.0 -0.945 8.2-168.1-116.7 129.1 14.8 9.2 63.8 17 167 A T E - c 0 125B 43 107,-2.8 109,-2.4 -2,-0.5 2,-0.1 -0.941 15.7-141.6-119.5 113.6 14.8 13.0 63.8 18 168 A P E - c 0 126B 23 0, 0.0 109,-0.2 0, 0.0 4,-0.1 -0.458 16.3-128.7 -70.4 137.3 11.9 14.9 65.4 19 169 A L S S+ 0 0 67 107,-2.3 108,-0.1 -2,-0.1 106,-0.0 0.872 98.3 25.5 -56.2 -40.8 10.7 18.1 63.7 20 170 A N S S- 0 0 67 1,-0.1 -1,-0.1 113,-0.0 108,-0.1 -0.986 110.8 -74.1-125.6 141.3 11.0 20.0 66.9 21 171 A P + 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.333 48.5 164.3 -28.8 146.6 13.3 19.1 69.9 22 172 A D > - 0 0 36 3,-0.2 3,-1.2 -4,-0.1 0, 0.0 -0.776 31.3-144.3-170.5 123.3 12.8 16.2 72.3 23 173 A D T 3 S+ 0 0 158 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 0.876 91.5 75.9 -60.3 -43.6 15.4 14.6 74.7 24 174 A D T 3 S+ 0 0 119 1,-0.2 2,-1.7 2,-0.1 -1,-0.2 0.748 81.8 77.8 -41.9 -27.0 14.2 11.0 74.4 25 175 A F S < S- 0 0 31 -3,-1.2 -1,-0.2 36,-0.0 -3,-0.2 -0.578 72.2-177.7 -88.4 74.4 15.9 11.1 71.1 26 176 A R > - 0 0 52 -2,-1.7 3,-0.7 1,-0.1 -2,-0.1 -0.615 25.1-125.9 -73.6 118.4 19.5 10.7 72.5 27 177 A P T 3 S+ 0 0 56 0, 0.0 388,-0.1 0, 0.0 -1,-0.1 -0.284 86.4 57.3 -66.2 152.9 22.0 10.9 69.6 28 178 A G T 3 + 0 0 28 1,-0.3 486,-1.5 485,-0.1 463,-0.0 0.427 61.1 160.3 109.8 -2.0 24.4 8.0 69.3 29 179 A L B < -f 514 0C 61 -3,-0.7 2,-0.3 484,-0.2 -1,-0.3 -0.334 14.0-178.0 -56.8 132.0 22.0 5.1 69.0 30 180 A K + 0 0 29 484,-2.5 2,-0.3 459,-0.1 -1,-0.1 -0.770 25.5 117.9-141.7 90.3 23.9 2.2 67.4 31 181 A L - 0 0 68 -2,-0.3 2,-0.3 -17,-0.1 -17,-0.2 -0.972 36.8-158.0-148.2 156.8 21.9 -1.0 66.8 32 182 A T - 0 0 49 -2,-0.3 2,-0.4 -19,-0.1 -19,-0.2 -0.947 6.8-151.6-135.7 156.2 21.0 -3.0 63.8 33 183 A K E -B 12 0B 73 -21,-2.2 -21,-3.2 -2,-0.3 2,-0.6 -0.987 22.7-121.3-128.5 136.5 18.2 -5.5 63.3 34 184 A L E -B 11 0B 85 -2,-0.4 -23,-0.3 -23,-0.2 3,-0.1 -0.710 26.3-175.3 -78.9 124.3 18.3 -8.5 61.0 35 185 A L E - 0 0 35 -25,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.937 56.0 -54.8 -81.2 -57.2 15.5 -8.0 58.6 36 186 A K E -B 10 0B 75 -26,-1.2 -26,-3.5 -28,-0.1 2,-0.6 -0.981 44.0 -99.6-173.9 169.0 16.0 -11.3 56.7 37 187 A T E +B 9 0B 68 -2,-0.3 -28,-0.2 -28,-0.3 2,-0.2 -0.928 49.2 171.3-105.3 120.7 18.3 -13.5 54.7 38 188 A L E -B 8 0B 25 -30,-2.6 -30,-2.4 -2,-0.6 2,-0.3 -0.665 28.5-111.7-122.7 179.3 17.7 -13.2 51.0 39 189 A A > - 0 0 44 -2,-0.2 3,-2.5 -32,-0.2 56,-0.3 -0.767 47.0 -79.9-112.4 158.3 19.3 -14.2 47.8 40 190 A I T 3 S+ 0 0 33 -35,-0.3 56,-0.2 -2,-0.3 -1,-0.1 -0.301 121.4 25.6 -51.9 133.6 21.0 -12.2 45.1 41 191 A G T 3 S+ 0 0 23 54,-2.7 -1,-0.3 1,-0.3 55,-0.1 0.161 88.2 127.6 94.2 -22.2 18.2 -10.6 43.0 42 192 A D < - 0 0 66 -3,-2.5 53,-3.2 53,-0.1 -1,-0.3 -0.299 51.8-134.6 -63.2 158.8 15.6 -10.7 45.7 43 193 A T E -H 94 0D 78 51,-0.2 2,-0.4 -3,-0.1 51,-0.2 -0.853 20.5-166.5-122.8 158.4 13.9 -7.3 46.3 44 194 A I E -H 93 0D 1 49,-2.0 49,-3.8 -2,-0.3 2,-0.2 -0.986 20.8-147.7-136.7 132.8 12.9 -5.1 49.2 45 195 A T E > -H 92 0D 33 -2,-0.4 4,-1.7 47,-0.3 3,-0.3 -0.690 24.3-114.9-105.9 160.6 10.6 -2.1 48.6 46 196 A S H > S+ 0 0 0 45,-2.7 4,-2.7 -2,-0.2 5,-0.2 0.844 115.5 58.5 -60.1 -33.8 10.4 1.3 50.2 47 197 A Q H > S+ 0 0 98 44,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.910 105.4 49.1 -64.5 -39.3 6.9 0.4 51.6 48 198 A E H > S+ 0 0 82 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.887 111.5 49.2 -64.5 -39.2 8.3 -2.6 53.4 49 199 A L H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.915 109.0 52.7 -68.0 -41.0 11.1 -0.5 54.9 50 200 A L H X S+ 0 0 69 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.919 107.7 51.6 -58.7 -43.1 8.6 2.1 56.0 51 201 A A H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 111.3 48.2 -61.6 -41.3 6.6 -0.6 57.7 52 202 A Q H X S+ 0 0 50 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 113.6 45.7 -62.5 -48.1 9.7 -1.7 59.5 53 203 A A H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.936 111.4 52.0 -64.1 -44.5 10.7 1.8 60.6 54 204 A Q H X S+ 0 0 47 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.925 111.3 47.9 -59.6 -42.3 7.1 2.7 61.8 55 205 A S H X S+ 0 0 40 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.920 113.0 46.9 -68.0 -38.8 7.1 -0.4 63.9 56 206 A I H X S+ 0 0 24 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.927 111.8 52.4 -65.5 -40.8 10.5 0.3 65.4 57 207 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 7,-0.2 0.888 106.4 54.3 -60.1 -41.5 9.4 3.9 66.0 58 208 A N H < S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.949 111.4 43.9 -59.4 -49.3 6.3 2.6 67.8 59 209 A K H < S+ 0 0 158 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.958 124.7 31.4 -62.8 -53.1 8.3 0.5 70.2 60 210 A N H < S+ 0 0 60 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.784 133.0 26.8 -78.6 -28.1 11.0 3.0 71.0 61 211 A H S >< S- 0 0 23 -4,-2.8 3,-1.8 -5,-0.3 -1,-0.2 -0.499 72.1-170.1-138.6 71.2 9.0 6.2 70.7 62 212 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.277 76.8 36.7 -58.6 138.9 5.3 5.8 71.4 63 213 A G T 3 S+ 0 0 43 1,-0.4 66,-3.1 65,-0.1 2,-0.3 0.252 99.0 96.9 100.1 -15.0 3.4 8.9 70.4 64 214 A Y E < -D 128 0B 14 -3,-1.8 -1,-0.4 64,-0.3 2,-0.3 -0.715 51.3-166.2-106.7 160.4 5.5 9.7 67.3 65 215 A T E -D 127 0B 40 62,-1.9 62,-2.4 -2,-0.3 2,-0.2 -0.958 34.2 -90.3-141.2 157.5 4.9 8.9 63.7 66 216 A I E +D 126 0B 23 -2,-0.3 60,-0.2 60,-0.2 3,-0.1 -0.481 38.1 176.7 -66.6 134.7 7.0 8.9 60.5 67 217 A Y E - 0 0 108 58,-2.8 2,-0.3 1,-0.3 59,-0.2 0.782 62.0 -25.7-104.4 -58.8 6.7 12.3 58.8 68 218 A E E -D 125 0B 88 57,-1.8 57,-3.7 0, 0.0 -1,-0.3 -0.992 58.0-107.5-160.0 153.2 9.0 11.7 55.9 69 219 A R E -D 124 0B 38 -2,-0.3 55,-0.2 55,-0.2 3,-0.1 -0.544 24.8-178.6 -77.6 137.7 12.0 9.8 54.7 70 220 A D E - 0 0 52 53,-3.0 2,-0.3 1,-0.4 54,-0.2 0.790 62.1 -14.0-105.3 -41.4 15.3 11.7 54.4 71 221 A S E -D 123 0B 6 52,-1.3 52,-1.8 2,-0.0 2,-0.4 -0.986 45.2-160.8-162.5 153.4 17.7 9.0 53.1 72 222 A S E +D 122 0B 3 13,-0.5 13,-2.2 -2,-0.3 2,-0.3 -0.975 19.2 176.0-141.2 123.3 18.2 5.4 52.5 73 223 A I E -DE 121 84B 0 48,-2.6 48,-3.2 -2,-0.4 2,-0.5 -0.951 17.6-152.5-131.4 145.5 21.6 3.8 51.9 74 224 A V E -DE 120 83B 0 9,-2.7 9,-2.0 -2,-0.3 2,-0.5 -0.978 5.3-167.5-120.4 131.0 22.9 0.3 51.5 75 225 A T E -D 119 0B 32 44,-2.5 44,-3.1 -2,-0.5 2,-0.7 -0.971 15.5-147.0-113.3 129.2 26.4 -0.7 52.5 76 226 A H E > -D 118 0B 4 -2,-0.5 3,-2.1 5,-0.4 42,-0.2 -0.881 52.0 -59.4-104.0 114.4 27.4 -4.1 51.1 77 227 A D T 3 S- 0 0 27 40,-2.9 42,-0.1 -2,-0.7 365,-0.1 -0.242 106.8 -37.2 50.8-138.0 29.7 -6.2 53.3 78 228 A N T 3 S+ 0 0 54 363,-0.1 -1,-0.3 362,-0.1 2,-0.1 0.187 100.6 135.6-100.5 14.0 33.0 -4.2 53.8 79 229 A D < - 0 0 66 -3,-2.1 -3,-0.2 1,-0.1 363,-0.0 -0.333 54.2-141.6 -63.3 140.0 32.9 -2.8 50.3 80 230 A I S S+ 0 0 31 -5,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.807 80.0 80.3 -75.8 -28.9 33.6 0.9 50.0 81 231 A F - 0 0 37 -5,-0.1 -5,-0.4 326,-0.1 2,-0.3 -0.704 65.2-169.7 -85.6 120.4 31.0 1.6 47.2 82 232 A R - 0 0 7 -2,-0.6 2,-0.5 -7,-0.1 -7,-0.2 -0.718 21.4-120.7-106.6 157.2 27.5 2.0 48.7 83 233 A T E -E 74 0B 32 -9,-2.0 -9,-2.7 -2,-0.3 2,-0.7 -0.899 19.1-149.9-104.5 129.1 24.2 2.3 46.8 84 234 A I E -E 73 0B 47 -2,-0.5 -11,-0.2 -11,-0.2 3,-0.1 -0.862 14.0-144.9 -95.8 112.3 22.2 5.4 47.4 85 235 A L - 0 0 10 -13,-2.2 -13,-0.5 -2,-0.7 8,-0.1 -0.454 35.7 -82.3 -78.0 151.2 18.5 4.8 47.1 86 236 A P - 0 0 49 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.292 37.5-149.9 -54.6 131.6 16.2 7.5 45.6 87 237 A M S S+ 0 0 78 1,-0.2 -18,-0.1 -3,-0.1 4,-0.1 0.820 82.0 31.4 -78.2 -34.4 15.2 10.1 48.2 88 238 A D S S+ 0 0 145 2,-0.1 2,-0.3 -18,-0.0 -1,-0.2 -0.166 109.4 53.4-124.1 47.0 11.8 11.4 47.1 89 239 A Q S S- 0 0 132 -3,-0.4 -43,-0.0 0, 0.0 0, 0.0 -0.960 89.3 -85.7-165.0 156.2 10.0 8.5 45.4 90 240 A E - 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