==== 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 4D8E . 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) . 11461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 59.4 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 . 24 9.4 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, 0.0 171,-0.0 0.000 360.0 360.0 360.0 115.8 -16.7 -15.3 5.5 2 147 A P - 0 0 77 0, 0.0 202,-0.5 0, 0.0 2,-0.5 -0.385 360.0-112.5 -65.9 152.1 -18.3 -14.5 8.9 3 148 A V E +A 203 0A 91 200,-0.2 2,-0.4 201,-0.1 200,-0.2 -0.710 38.7 176.9 -81.8 126.3 -21.7 -12.8 8.9 4 149 A V E -A 202 0A 23 198,-2.7 198,-2.2 -2,-0.5 205,-0.2 -0.967 25.4-132.4-133.7 117.1 -21.4 -9.3 10.3 5 150 A K - 0 0 169 -2,-0.4 5,-0.1 196,-0.2 198,-0.0 -0.485 50.8 -73.7 -70.6 142.1 -24.5 -7.0 10.4 6 151 A S > - 0 0 12 1,-0.1 4,-1.9 -2,-0.1 195,-0.2 0.004 43.5-157.6 -39.6 116.8 -23.9 -3.5 9.1 7 152 A L H > S+ 0 0 9 193,-2.8 4,-0.8 1,-0.2 6,-0.2 0.902 90.7 45.4 -70.5 -40.0 -21.9 -1.7 11.8 8 153 A L H >4>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 3,-0.7 0.897 112.2 49.8 -72.3 -41.0 -22.9 1.8 10.7 9 154 A N H >45S+ 0 0 70 1,-0.2 3,-1.4 3,-0.2 -1,-0.2 0.871 104.9 60.4 -63.2 -36.2 -26.6 1.0 10.3 10 155 A S H 3<5S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.779 110.8 40.5 -62.2 -25.7 -26.5 -0.6 13.8 11 156 A K T <<5S- 0 0 94 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.264 114.8-113.6-103.6 7.2 -25.5 2.9 15.2 12 157 A G T < 5 + 0 0 29 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.693 59.2 159.3 74.7 18.6 -27.8 4.9 13.0 13 158 A I < + 0 0 2 -5,-2.5 2,-0.3 -6,-0.2 90,-0.2 -0.689 2.6 147.9 -94.4 113.7 -24.9 6.5 11.0 14 159 A H B +g 103 0B 47 88,-2.3 90,-0.6 -2,-0.5 2,-0.3 -0.828 15.3 169.9-147.3 95.4 -26.0 8.0 7.6 15 160 A Y - 0 0 0 -2,-0.3 200,-1.6 88,-0.1 2,-0.2 -0.757 9.4-170.5-107.5 164.3 -24.2 11.0 6.4 16 161 A N - 0 0 59 -2,-0.3 198,-0.2 198,-0.2 197,-0.0 -0.664 33.1-109.6-135.4-170.2 -24.2 12.7 2.9 17 162 A Q S S+ 0 0 33 -2,-0.2 28,-2.0 196,-0.1 29,-0.1 0.511 91.3 60.5-110.0 -6.1 -22.2 15.5 1.1 18 163 A G S >> S+ 0 0 27 1,-0.3 3,-2.1 26,-0.2 4,-0.8 0.039 89.3 7.0-102.6-152.4 -24.8 18.3 1.0 19 164 A N T 34 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 -0.450 122.3 15.6 -71.6 145.4 -26.7 20.2 3.7 20 165 A P T 34 S+ 0 0 15 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 -0.802 126.5 57.0 -99.1 29.6 -26.4 20.1 6.8 21 166 A Y T <4 S+ 0 0 10 -3,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.680 106.9 48.1 -86.3 -24.5 -23.0 18.4 6.3 22 167 A N >< + 0 0 21 -4,-0.8 3,-1.1 1,-0.2 -1,-0.2 0.090 68.3 117.6-106.8 29.3 -21.5 21.1 4.2 23 168 A L T 3 S+ 0 0 41 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.631 84.7 40.3 -75.9 -10.8 -22.3 24.2 6.2 24 169 A L T 3 S+ 0 0 84 -3,-0.3 -1,-0.3 93,-0.2 -2,-0.1 0.321 86.5 108.4-122.5 13.0 -18.6 25.0 6.7 25 170 A T S < S- 0 0 5 -3,-1.1 20,-0.1 18,-0.2 96,-0.1 -0.300 86.3 -73.4 -75.6 167.0 -17.0 24.1 3.4 26 171 A P - 0 0 21 0, 0.0 17,-2.6 0, 0.0 2,-0.5 -0.393 48.0-117.7 -66.1 143.7 -15.8 27.0 1.3 27 172 A V B -H 42 0C 62 15,-0.2 15,-0.3 -3,-0.1 12,-0.1 -0.737 33.9-109.5 -80.2 125.5 -18.5 29.0 -0.5 28 173 A I - 0 0 3 13,-2.7 12,-2.6 -2,-0.5 52,-0.2 -0.242 34.2-174.1 -59.5 136.1 -18.2 28.8 -4.3 29 174 A E + 0 0 65 50,-2.5 2,-0.3 10,-0.2 51,-0.2 0.696 55.2 40.9-105.6 -28.9 -16.9 32.2 -5.7 30 175 A K - 0 0 87 49,-1.7 2,-0.5 8,-0.1 8,-0.3 -0.928 69.2-121.8-130.3 154.9 -17.1 31.9 -9.5 31 176 A V - 0 0 72 -2,-0.3 6,-0.1 6,-0.1 5,-0.1 -0.811 34.5-127.7 -89.2 126.7 -19.2 30.5 -12.3 32 177 A K > - 0 0 87 -2,-0.5 3,-2.5 4,-0.4 47,-0.1 -0.614 37.0 -98.7 -69.8 131.0 -17.2 28.0 -14.4 33 178 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.254 110.3 17.3 -55.3 133.5 -17.5 28.9 -18.1 34 179 A G T 3 S+ 0 0 97 1,-0.3 2,-0.3 -3,-0.0 -2,-0.0 0.357 110.9 98.6 87.3 -3.3 -20.2 26.9 -19.8 35 180 A E S < S- 0 0 54 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.769 77.3-107.7-117.7 154.7 -21.8 25.9 -16.5 36 181 A Q - 0 0 132 -2,-0.3 -4,-0.4 1,-0.1 2,-0.2 -0.323 53.8 -84.6 -69.7 160.1 -24.8 27.1 -14.5 37 182 A S + 0 0 64 1,-0.1 -1,-0.1 -6,-0.1 -6,-0.1 -0.489 42.9 167.2 -71.9 138.9 -24.0 29.1 -11.3 38 183 A F > + 0 0 44 -8,-0.3 3,-1.9 -2,-0.2 -10,-0.3 0.102 36.0 144.2-121.5 18.6 -23.2 27.5 -7.9 39 184 A V T 3 + 0 0 66 1,-0.3 -10,-0.2 -10,-0.1 3,-0.1 -0.286 67.2 18.3 -63.7 129.0 -21.9 30.9 -6.6 40 185 A G T 3 S+ 0 0 56 -12,-2.6 2,-0.3 1,-0.4 -1,-0.3 0.455 100.8 110.1 90.3 1.8 -22.8 31.5 -3.0 41 186 A Q S < S- 0 0 103 -3,-1.9 -13,-2.7 -13,-0.1 -1,-0.4 -0.801 75.2-108.0-102.6 144.8 -23.5 27.8 -2.3 42 187 A H B -H 27 0C 65 -2,-0.3 -15,-0.2 -15,-0.3 3,-0.1 -0.515 38.3-108.1 -68.0 140.5 -21.2 25.8 -0.1 43 188 A A - 0 0 0 -17,-2.6 -18,-0.2 -2,-0.2 -1,-0.1 -0.250 41.3 -88.3 -57.5 153.5 -19.1 23.2 -1.9 44 189 A A - 0 0 12 88,-2.5 88,-0.3 1,-0.1 -26,-0.2 -0.337 32.7-124.2 -56.3 147.2 -19.8 19.5 -1.5 45 190 A T - 0 0 0 -28,-2.0 4,-0.3 -3,-0.1 -1,-0.1 0.821 51.2-115.3 -65.2 -26.6 -18.1 17.9 1.4 46 191 A G > - 0 0 0 -29,-0.1 4,-2.1 2,-0.1 3,-0.3 0.285 13.6-104.1 98.5 135.3 -16.4 15.3 -0.9 47 192 A C H > S+ 0 0 19 88,-0.7 4,-2.2 1,-0.2 5,-0.2 0.825 120.7 57.8 -58.4 -35.4 -17.0 11.5 -0.9 48 193 A V H > S+ 0 0 4 87,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.908 109.4 43.7 -64.4 -43.2 -13.6 11.0 0.9 49 194 A A H > S+ 0 0 0 -3,-0.3 4,-3.0 -4,-0.3 5,-0.2 0.879 113.0 50.7 -68.6 -41.3 -14.6 13.3 3.7 50 195 A T H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 112.1 47.0 -64.2 -38.6 -18.1 11.8 4.1 51 196 A A H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.952 115.8 45.5 -67.3 -48.6 -16.7 8.1 4.2 52 197 A T H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.900 111.6 52.0 -64.2 -46.2 -14.0 9.1 6.8 53 198 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.877 106.8 52.6 -61.4 -38.8 -16.4 11.1 8.9 54 199 A Q H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.931 110.9 47.4 -61.4 -39.8 -18.9 8.2 9.1 55 200 A I H X S+ 0 0 3 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.925 111.3 51.6 -66.0 -41.2 -16.1 5.9 10.3 56 201 A M H X>S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 5,-1.2 0.914 107.9 51.3 -62.9 -42.6 -14.9 8.5 12.9 57 202 A K H <5S+ 0 0 21 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.861 101.2 62.6 -62.3 -32.8 -18.5 8.8 14.3 58 203 A Y H <5S+ 0 0 21 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 115.9 32.1 -57.9 -36.4 -18.6 5.0 14.6 59 204 A H H <5S- 0 0 40 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.617 96.2-139.0 -90.2 -15.6 -15.7 5.5 17.1 60 205 A N T <5 + 0 0 66 -4,-1.3 -3,-0.2 1,-0.2 37,-0.1 0.955 51.2 177.8 45.2 57.4 -16.7 8.9 18.6 61 206 A Y < + 0 0 49 -5,-1.2 -1,-0.2 1,-0.2 -2,-0.2 -0.997 29.5 30.2-152.6 141.2 -13.0 9.7 18.4 62 207 A P - 0 0 2 0, 0.0 33,-0.3 0, 0.0 -1,-0.2 0.442 45.8-171.2 -89.6 160.8 -10.9 11.8 18.9 63 208 A N S S+ 0 0 96 1,-0.3 32,-1.6 31,-0.1 2,-0.4 0.852 84.8 29.9 -74.1 -29.9 -12.1 14.0 21.7 64 209 A K B S-I 94 0D 129 30,-0.2 -1,-0.3 87,-0.1 30,-0.2 -1.000 85.1-127.2-128.9 132.1 -9.3 16.4 20.9 65 210 A G - 0 0 8 28,-1.7 86,-0.2 -2,-0.4 3,-0.1 -0.345 15.8-153.3 -71.9 157.8 -7.7 17.0 17.6 66 211 A L + 0 0 104 84,-2.6 2,-0.4 1,-0.3 85,-0.2 0.824 62.6 16.3-104.4 -41.1 -3.9 16.7 17.4 67 212 A K - 0 0 113 83,-1.3 -1,-0.3 23,-0.1 23,-0.2 -0.993 66.3-122.3-148.6 133.4 -2.4 18.8 14.6 68 213 A D - 0 0 60 -2,-0.4 2,-0.3 22,-0.2 21,-0.2 -0.151 25.1-152.3 -62.8 166.0 -3.5 21.7 12.3 69 214 A Y E +J 88 0E 44 19,-1.9 19,-2.4 2,-0.0 2,-0.3 -0.999 14.1 177.7-145.6 143.6 -3.5 21.4 8.5 70 215 A T E +J 87 0E 85 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.997 9.3 157.1-143.4 143.4 -3.1 24.0 5.7 71 216 A Y E -J 86 0E 20 15,-2.1 15,-3.0 -2,-0.3 2,-0.4 -0.970 32.8-120.0-159.5 173.7 -3.0 23.7 1.9 72 217 A T E -J 85 0E 78 -2,-0.3 13,-0.2 13,-0.2 3,-0.1 -0.971 30.1-116.8-124.2 133.7 -3.6 25.6 -1.3 73 218 A L - 0 0 9 11,-2.6 11,-0.3 -2,-0.4 2,-0.1 -0.315 39.7 -93.2 -63.5 150.1 -6.2 24.8 -4.0 74 219 A S > - 0 0 67 1,-0.1 3,-1.9 9,-0.1 -1,-0.1 -0.417 28.6-129.2 -54.9 138.4 -5.0 23.9 -7.5 75 220 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.587 106.1 69.1 -70.6 -7.9 -5.0 27.0 -9.7 76 221 A N T 3 + 0 0 139 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.561 69.3 108.3 -83.7 -10.5 -7.0 24.9 -12.2 77 222 A N X - 0 0 7 -3,-1.9 3,-0.8 1,-0.2 54,-0.0 -0.579 55.3-162.0 -70.2 116.1 -10.1 24.9 -9.9 78 223 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 54,-0.1 0.494 77.3 70.8 -83.0 5.5 -12.6 27.2 -11.7 79 224 A Y T 3 S+ 0 0 25 52,-0.2 -50,-2.5 -50,-0.1 -49,-1.7 0.554 97.0 47.8 -99.1 -12.1 -14.8 27.8 -8.7 80 225 A F S < S- 0 0 0 -3,-0.8 2,-0.3 -51,-0.2 4,-0.1 -0.928 79.6-113.9-129.0 151.0 -12.4 29.9 -6.7 81 226 A N - 0 0 90 -2,-0.3 -2,-0.1 2,-0.1 -51,-0.0 -0.602 58.2 -77.7 -76.1 148.0 -10.2 32.9 -7.2 82 227 A H S S+ 0 0 67 -2,-0.3 2,-0.2 -7,-0.1 -8,-0.0 -0.811 103.5 29.7-118.4 151.0 -6.5 32.2 -6.8 83 228 A P S S+ 0 0 108 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.601 73.7 176.4 -73.5 151.9 -4.4 31.7 -4.9 84 229 A K - 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