==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-12 4D8B . COMPND 2 MOLECULE: STREPTOPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR G.E.GONZALEZ,D.W.WOLAN . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 17.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 0 0 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 1 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 146 A Q 0 0 60 0, 0.0 205,-0.1 0, 0.0 206,-0.1 0.000 360.0 360.0 360.0 119.3 -17.0 -15.3 4.8 2 147 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 202,-0.5 -0.322 360.0-116.3 -65.7 148.4 -18.4 -14.3 8.3 3 148 A V E +A 203 0A 103 200,-0.2 2,-0.4 201,-0.1 200,-0.2 -0.771 37.5 175.1 -83.8 124.2 -21.8 -12.6 8.5 4 149 A V E -A 202 0A 23 198,-2.1 198,-2.3 -2,-0.5 205,-0.2 -0.986 25.9-133.2-132.1 120.1 -21.5 -9.1 10.0 5 150 A K - 0 0 102 -2,-0.4 5,-0.1 196,-0.2 198,-0.0 -0.498 50.4 -73.7 -73.3 141.7 -24.5 -6.8 10.2 6 151 A S > - 0 0 12 -2,-0.2 4,-1.8 1,-0.1 195,-0.2 -0.030 41.9-157.7 -39.5 117.5 -23.9 -3.2 9.0 7 152 A L H > S+ 0 0 8 193,-2.6 4,-0.7 2,-0.2 6,-0.2 0.900 91.4 47.2 -70.3 -43.3 -21.8 -1.5 11.7 8 153 A L H >4>S+ 0 0 0 1,-0.2 5,-2.4 2,-0.2 3,-1.1 0.925 111.0 52.0 -66.1 -40.4 -22.8 2.0 10.6 9 154 A N H >45S+ 0 0 73 1,-0.3 3,-1.4 3,-0.2 -1,-0.2 0.888 102.0 61.3 -61.1 -36.2 -26.5 1.1 10.5 10 155 A S H 3<5S+ 0 0 84 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 112.2 37.9 -63.0 -23.2 -26.2 -0.4 14.0 11 156 A K T <<5S- 0 0 91 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.275 113.8-113.9-110.0 8.3 -25.3 3.1 15.3 12 157 A G T < 5 + 0 0 30 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.750 58.3 160.9 68.8 25.6 -27.6 5.1 13.0 13 158 A I < + 0 0 3 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.712 2.4 149.9 -91.1 117.8 -24.8 6.7 11.1 14 159 A H B +g 103 0B 47 88,-2.2 90,-0.6 -2,-0.6 2,-0.2 -0.844 14.2 171.4-150.0 100.6 -25.8 8.1 7.7 15 160 A Y - 0 0 0 -2,-0.3 200,-2.1 88,-0.1 201,-0.3 -0.664 7.6-171.8-108.4 168.5 -24.0 11.1 6.3 16 161 A N - 0 0 51 198,-0.2 198,-0.2 -2,-0.2 197,-0.0 -0.672 32.5-110.2-142.5-168.7 -24.1 12.8 2.9 17 162 A Q S S+ 0 0 2 -2,-0.2 28,-2.0 2,-0.1 29,-0.1 0.486 90.2 56.9-112.8 -11.0 -22.2 15.5 1.0 18 163 A G S >> S+ 0 0 25 1,-0.3 3,-2.3 26,-0.2 4,-0.8 0.003 89.7 12.0-103.8-151.1 -24.8 18.4 0.9 19 164 A N T 34 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 -0.410 123.0 12.0 -70.5 144.6 -26.7 20.3 3.5 20 165 A P T 34 S+ 0 0 13 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 -0.805 126.7 57.9 -97.1 29.0 -26.2 20.3 6.5 21 166 A Y T <4 S+ 0 0 8 -3,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.669 107.1 47.6 -85.6 -23.8 -22.9 18.5 6.1 22 167 A N >< + 0 0 19 -4,-0.8 3,-1.0 1,-0.2 -1,-0.2 0.037 68.4 118.3-111.5 27.4 -21.3 21.1 3.8 23 168 A L T 3 S+ 0 0 46 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.648 85.1 38.6 -70.8 -11.5 -22.1 24.4 5.7 24 169 A L T 3 S+ 0 0 88 -3,-0.3 -1,-0.2 93,-0.2 -2,-0.1 0.312 88.1 107.4-122.7 6.9 -18.4 25.1 6.1 25 170 A T S < S- 0 0 5 -3,-1.0 20,-0.1 18,-0.2 96,-0.1 -0.380 87.2 -73.5 -73.5 165.9 -17.0 24.0 2.8 26 171 A P - 0 0 22 0, 0.0 17,-2.6 0, 0.0 2,-0.5 -0.322 46.5-119.2 -63.7 143.6 -15.8 26.8 0.4 27 172 A V B -H 42 0C 63 15,-0.2 15,-0.3 -3,-0.1 12,-0.1 -0.699 34.6-110.7 -83.7 124.4 -18.6 28.8 -1.4 28 173 A I - 0 0 2 13,-3.0 12,-2.5 -2,-0.5 52,-0.2 -0.300 33.4-175.6 -61.7 136.6 -18.3 28.4 -5.1 29 174 A E + 0 0 70 50,-2.6 2,-0.3 10,-0.2 51,-0.2 0.647 55.7 39.1-108.0 -24.2 -17.2 31.6 -6.9 30 175 A K S S- 0 0 76 49,-1.6 2,-0.4 8,-0.1 8,-0.3 -0.918 70.2-116.9-135.9 157.9 -17.3 30.9 -10.6 31 176 A V - 0 0 73 -2,-0.3 6,-0.1 6,-0.1 5,-0.1 -0.783 29.0-130.2 -91.4 131.6 -19.3 29.1 -13.3 32 177 A K > - 0 0 92 -2,-0.4 3,-2.2 4,-0.3 47,-0.1 -0.704 37.4-102.1 -78.1 130.2 -17.5 26.3 -15.2 33 178 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.262 107.9 18.7 -55.9 133.1 -17.9 26.8 -18.9 34 179 A G T 3 S+ 0 0 95 1,-0.2 2,-0.3 -3,-0.0 -2,-0.0 0.443 109.8 94.0 87.1 1.7 -20.6 24.5 -20.3 35 180 A E S < S- 0 0 63 -3,-2.2 -1,-0.2 1,-0.0 3,-0.1 -0.934 80.6-103.5-125.8 147.3 -22.2 23.9 -16.8 36 181 A Q - 0 0 149 -2,-0.3 -4,-0.3 1,-0.1 2,-0.3 -0.228 54.6 -84.8 -62.1 159.0 -25.1 25.5 -15.0 37 182 A S + 0 0 62 1,-0.1 -1,-0.1 -6,-0.1 -6,-0.1 -0.495 41.7 171.2 -74.0 134.9 -24.1 27.9 -12.2 38 183 A F > + 0 0 44 -8,-0.3 3,-2.3 -2,-0.3 -10,-0.3 0.104 33.4 143.9-116.1 14.0 -23.4 26.7 -8.7 39 184 A V T 3 + 0 0 70 1,-0.3 -10,-0.2 -10,-0.1 3,-0.1 -0.314 68.3 22.2 -58.6 132.8 -22.1 30.1 -7.7 40 185 A G T 3 S+ 0 0 52 -12,-2.5 2,-0.3 1,-0.4 -1,-0.3 0.281 98.8 113.5 90.9 -10.6 -23.0 30.8 -4.1 41 186 A Q S < S- 0 0 96 -3,-2.3 -13,-3.0 -13,-0.1 -1,-0.4 -0.698 73.5-112.0 -86.6 147.7 -23.5 27.2 -3.2 42 187 A H B -H 27 0C 64 -2,-0.3 -15,-0.2 -15,-0.3 3,-0.1 -0.554 41.2-107.8 -68.1 139.4 -21.2 25.5 -0.7 43 188 A A - 0 0 0 -17,-2.6 -18,-0.2 -2,-0.2 -1,-0.1 -0.259 41.7 -89.4 -61.0 154.3 -19.1 22.9 -2.5 44 189 A A - 0 0 6 88,-2.5 88,-0.3 1,-0.1 -26,-0.2 -0.343 32.3-122.8 -58.5 149.8 -19.8 19.2 -1.9 45 190 A T - 0 0 0 -28,-2.0 4,-0.3 -3,-0.1 -1,-0.1 0.828 52.1-116.3 -63.8 -29.3 -18.0 17.8 1.1 46 191 A G > - 0 0 0 3,-0.1 4,-2.3 2,-0.1 3,-0.3 0.281 13.7-102.5 96.3 135.6 -16.4 15.1 -1.2 47 192 A C H > S+ 0 0 17 88,-0.7 4,-2.4 1,-0.2 5,-0.2 0.822 121.0 57.2 -58.0 -34.2 -17.0 11.4 -1.0 48 193 A V H > S+ 0 0 4 87,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.909 109.5 44.5 -66.1 -41.3 -13.6 10.9 0.7 49 194 A A H > S+ 0 0 0 -3,-0.3 4,-2.9 -4,-0.3 -2,-0.2 0.915 113.8 49.3 -67.5 -43.9 -14.6 13.3 3.5 50 195 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 112.6 47.4 -64.3 -43.4 -18.0 11.8 4.0 51 196 A A H X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.950 115.6 44.7 -60.4 -49.9 -16.7 8.2 4.1 52 197 A T H X S+ 0 0 5 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.918 111.7 52.6 -64.0 -42.9 -13.9 9.1 6.6 53 198 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.870 106.1 53.5 -63.2 -38.0 -16.3 11.2 8.8 54 199 A Q H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.910 110.9 46.7 -61.7 -41.5 -18.8 8.3 9.1 55 200 A I H X S+ 0 0 3 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.915 110.9 51.7 -67.7 -41.6 -16.0 6.1 10.3 56 201 A M H >X>S+ 0 0 0 -4,-2.5 5,-1.2 1,-0.2 4,-1.0 0.909 108.2 52.3 -61.8 -38.8 -14.7 8.7 12.7 57 202 A K H 3<5S+ 0 0 19 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.881 101.0 61.0 -64.0 -36.9 -18.3 9.0 14.1 58 203 A Y H 3<5S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.5 34.2 -55.3 -37.1 -18.4 5.3 14.6 59 204 A H H <<5S- 0 0 39 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.522 96.7-138.7 -93.2 -10.5 -15.4 5.7 17.0 60 205 A N T <5 - 0 0 65 -4,-1.0 -3,-0.2 -3,-0.5 37,-0.1 0.939 50.6-178.7 45.0 55.0 -16.4 9.1 18.4 61 206 A Y < + 0 0 55 -5,-1.2 -1,-0.2 1,-0.2 -2,-0.2 -0.999 28.6 23.6-152.0 141.1 -12.7 10.0 18.1 62 207 A P - 0 0 4 0, 0.0 33,-0.2 0, 0.0 -1,-0.2 0.540 44.3-169.2 -94.0 162.7 -10.7 12.1 18.6 63 208 A N S S+ 0 0 108 1,-0.2 32,-1.7 31,-0.1 2,-0.4 0.829 85.6 33.5 -72.1 -32.1 -11.8 14.5 21.3 64 209 A K B S-I 94 0D 92 30,-0.2 -1,-0.2 87,-0.1 30,-0.2 -0.988 82.9-131.1-128.6 126.6 -8.9 16.8 20.4 65 210 A G - 0 0 0 28,-2.0 86,-0.2 -2,-0.4 3,-0.1 -0.381 15.4-154.4 -68.0 156.8 -7.4 17.3 17.0 66 211 A L + 0 0 88 84,-2.8 2,-0.3 1,-0.3 25,-0.2 0.832 61.3 15.5-104.6 -39.5 -3.6 17.1 16.7 67 212 A K - 0 0 123 83,-0.8 -1,-0.3 21,-0.0 23,-0.2 -0.998 67.3-120.5-151.0 134.0 -2.1 19.1 13.9 68 213 A D - 0 0 54 -2,-0.3 2,-0.4 22,-0.2 21,-0.2 -0.260 25.6-149.5 -69.6 161.3 -3.3 21.8 11.5 69 214 A Y E +J 88 0E 37 19,-2.0 19,-2.8 2,-0.0 2,-0.3 -0.999 14.6 179.3-138.1 141.3 -3.4 21.3 7.7 70 215 A T E +J 87 0E 86 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.996 8.8 156.2-138.0 140.2 -3.0 23.7 4.8 71 216 A Y E -J 86 0E 18 15,-2.0 15,-3.1 -2,-0.3 2,-0.4 -0.969 33.5-121.0-154.2 170.6 -3.0 23.4 1.1 72 217 A T E -J 85 0E 78 -2,-0.3 13,-0.2 13,-0.2 3,-0.1 -0.944 31.1-116.7-115.8 131.4 -3.6 25.3 -2.1 73 218 A L - 0 0 6 11,-2.7 11,-0.3 -2,-0.4 2,-0.1 -0.304 40.1 -95.4 -59.8 148.6 -6.3 24.4 -4.6 74 219 A S > - 0 0 57 1,-0.1 3,-2.1 9,-0.1 -1,-0.1 -0.444 24.8-131.5 -60.8 136.6 -5.2 23.5 -8.1 75 220 A S T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.614 105.0 71.5 -68.6 -10.1 -5.3 26.4 -10.5 76 221 A N T 3 S+ 0 0 139 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.567 70.3 107.4 -74.9 -10.9 -7.1 24.0 -12.8 77 222 A N X - 0 0 4 -3,-2.1 3,-0.7 1,-0.1 54,-0.0 -0.591 56.9-162.5 -73.7 118.9 -10.2 24.2 -10.6 78 223 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.438 76.3 70.7 -84.3 2.0 -12.7 26.3 -12.5 79 224 A Y T 3 S+ 0 0 22 52,-0.2 -50,-2.6 -50,-0.1 -49,-1.6 0.558 95.3 48.1 -96.5 -10.6 -14.9 27.1 -9.5 80 225 A F S < S- 0 0 0 -3,-0.7 2,-0.3 -51,-0.2 4,-0.1 -0.934 79.6-110.8-132.8 150.9 -12.6 29.4 -7.5 81 226 A N - 0 0 94 -2,-0.3 -2,-0.0 2,-0.1 -51,-0.0 -0.611 59.4 -87.4 -72.9 141.8 -10.5 32.5 -8.0 82 227 A H S S+ 0 0 63 -2,-0.3 2,-0.1 -7,-0.1 -8,-0.0 -0.822 99.8 38.2-115.5 151.3 -6.8 31.6 -7.7 83 228 A P S S+ 0 0 115 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.507 72.8 171.2 -75.2 150.1 -4.7 31.4 -5.7 84 229 A K - 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