==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-JAN-10 3L9A . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR A.U.SINGER,M.E.CUFF,X.XU,H.CUI,A.M.EDWARDS,A.JOACHIMIAK, . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 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 . 8 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 159 X X 0 0 95 0, 0.0 29,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.8 26.1 29.3 12.7 2 160 X R - 0 0 181 1,-0.1 2,-0.1 27,-0.1 25,-0.0 -0.082 360.0 -85.6 -52.1 162.0 28.9 27.2 14.2 3 161 X D + 0 0 41 25,-0.1 50,-0.5 26,-0.1 2,-0.3 -0.410 54.3 178.1 -68.7 154.5 29.4 23.6 13.0 4 162 X F E -A 27 0A 11 23,-2.2 23,-3.2 48,-0.1 2,-0.4 -0.978 23.2-121.5-152.2 162.5 27.3 20.9 14.8 5 163 X F E -Ab 26 54A 0 48,-2.9 50,-1.8 -2,-0.3 51,-0.7 -0.843 20.0-177.0-103.9 148.0 26.7 17.2 14.8 6 164 X V E -Ab 25 56A 0 19,-1.9 19,-2.9 -2,-0.4 2,-0.4 -0.922 15.3-145.1-128.2 162.9 23.4 15.4 14.3 7 165 X I E -A 24 0A 31 49,-2.3 52,-3.0 -2,-0.3 17,-0.2 -0.997 24.9-115.5-127.8 128.7 22.8 11.6 14.5 8 166 X T E - b 0 59A 3 15,-2.3 14,-1.8 -2,-0.4 52,-0.2 -0.374 12.5-148.0 -67.6 141.0 20.3 9.9 12.2 9 167 X N S S- 0 0 53 50,-2.5 2,-0.3 12,-0.2 51,-0.1 0.571 76.1 -6.4 -82.4 -12.0 17.3 8.3 13.9 10 168 X S S S- 0 0 47 49,-0.4 2,-0.4 10,-0.2 13,-0.2 -0.943 89.8 -70.3-166.8 175.1 17.0 5.5 11.3 11 169 X E + 0 0 131 -2,-0.3 2,-0.3 10,-0.1 9,-0.2 -0.716 68.1 133.7 -83.9 126.9 18.3 4.3 8.0 12 170 X Y E -E 19 0B 25 7,-2.1 7,-2.9 -2,-0.4 2,-0.5 -0.987 54.5-110.3-162.3 163.2 17.2 6.5 5.1 13 171 X T E -E 18 0B 93 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.929 34.7-180.0 -99.9 127.8 18.2 8.3 1.9 14 172 X F E > -E 17 0B 20 3,-2.4 3,-2.4 -2,-0.5 -2,-0.0 -0.998 69.6 -7.6-127.1 132.8 18.1 12.1 2.3 15 173 X A T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 131.8 -54.6 50.4 40.2 19.1 14.4 -0.6 16 174 X G T 3 S+ 0 0 72 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.442 115.0 115.9 78.9 0.4 20.2 11.4 -2.6 17 175 X V E < -E 14 0B 22 -3,-2.4 -3,-2.4 59,-0.1 2,-0.4 -0.890 61.1-134.4-109.1 127.9 22.6 10.2 0.1 18 176 X H E -E 13 0B 93 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.666 23.8-173.8 -76.3 130.4 22.2 6.9 2.0 19 177 X Y E -E 12 0B 0 -7,-2.9 -7,-2.1 -2,-0.4 3,-0.1 -0.993 17.1-136.9-123.3 129.8 22.6 7.1 5.7 20 178 X A > - 0 0 28 -2,-0.4 3,-1.5 -9,-0.2 -12,-0.2 -0.345 43.2 -84.7 -65.1 159.7 22.7 4.1 8.1 21 179 X K T 3 S+ 0 0 153 1,-0.2 -12,-0.2 -12,-0.1 -10,-0.1 -0.473 120.2 24.9 -58.7 137.7 20.8 4.4 11.4 22 180 X G T 3 S+ 0 0 42 -14,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.616 83.4 159.3 79.0 11.1 23.1 6.1 13.9 23 181 X A < - 0 0 3 -3,-1.5 -15,-2.3 -13,-0.2 2,-0.6 -0.533 37.1-137.2 -66.7 127.5 25.2 7.9 11.2 24 182 X V E -A 7 0A 15 13,-0.5 13,-2.3 -2,-0.3 2,-0.5 -0.812 20.2-161.5 -88.2 120.0 26.9 10.9 12.7 25 183 X L E -AC 6 36A 0 -19,-2.9 -19,-1.9 -2,-0.6 2,-0.6 -0.917 10.4-146.6-107.6 124.3 26.7 13.9 10.3 26 184 X H E -AC 5 35A 20 9,-2.6 9,-1.9 -2,-0.5 2,-0.5 -0.829 19.6-160.7 -85.9 122.2 29.0 16.8 10.6 27 185 X V E -AC 4 34A 0 -23,-3.2 -23,-2.2 -2,-0.6 7,-0.2 -0.930 13.1-177.6-113.1 123.4 27.1 19.9 9.6 28 186 X S E >> - C 0 33A 4 5,-2.8 5,-1.9 -2,-0.5 4,-0.6 -0.868 7.6-178.7-120.4 94.3 28.9 23.1 8.6 29 187 X P T >45S+ 0 0 13 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.898 85.4 57.0 -55.8 -38.9 26.5 26.0 7.8 30 188 X T T 345S+ 0 0 111 -29,-0.6 -28,-0.1 1,-0.3 -2,-0.0 0.917 115.7 35.6 -62.8 -38.4 29.5 28.2 6.9 31 189 X Q T 345S- 0 0 137 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.409 104.5-129.8 -90.5 3.0 30.7 25.8 4.2 32 190 X K T <<5 + 0 0 107 -3,-1.0 42,-2.4 -4,-0.6 2,-0.4 0.887 69.9 120.7 47.0 44.7 27.1 24.8 3.3 33 191 X R E < +Cd 28 74A 63 -5,-1.9 -5,-2.8 40,-0.2 2,-0.4 -0.997 39.4 177.5-142.8 132.4 28.2 21.2 3.7 34 192 X A E +Cd 27 75A 0 40,-2.2 42,-2.1 -2,-0.4 2,-0.3 -0.990 15.4 171.8-127.0 143.2 27.1 18.2 5.8 35 193 X F E -Cd 26 76A 16 -9,-1.9 -9,-2.6 -2,-0.4 2,-0.7 -0.987 39.0-100.7-150.1 159.5 28.6 14.7 5.5 36 194 X W E -C 25 0A 38 40,-0.6 43,-0.4 41,-0.4 2,-0.3 -0.706 42.4-154.9 -81.4 113.2 28.7 11.3 7.2 37 195 X V - 0 0 5 -13,-2.3 -13,-0.5 -2,-0.7 2,-0.2 -0.659 9.4-130.6 -90.1 144.7 31.9 11.1 9.3 38 196 X I >> - 0 0 37 -2,-0.3 4,-2.7 -15,-0.1 3,-0.7 -0.495 38.7 -97.8 -80.1 164.8 33.6 7.9 10.3 39 197 X A H 3> S+ 0 0 61 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.883 123.9 52.8 -54.9 -43.1 34.5 7.5 14.0 40 198 X D H 3> S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.861 111.9 46.5 -63.3 -34.8 38.1 8.6 13.6 41 199 X Q H <> S+ 0 0 42 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.905 109.6 53.4 -70.4 -43.5 36.9 11.8 11.8 42 200 X E H X S+ 0 0 34 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.928 112.5 45.7 -53.2 -46.2 34.2 12.4 14.5 43 201 X N H X S+ 0 0 87 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.899 109.7 53.5 -68.1 -40.2 37.0 12.2 17.1 44 202 X F H >X S+ 0 0 125 -4,-2.0 4,-1.9 1,-0.2 3,-1.1 0.928 105.5 54.5 -56.5 -47.5 39.3 14.4 15.1 45 203 X I H 3X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.894 104.8 54.3 -55.5 -40.7 36.6 17.1 14.9 46 204 X K H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.690 106.0 53.4 -72.9 -17.4 36.3 17.0 18.7 47 205 X Q H << S+ 0 0 160 -3,-1.1 3,-0.4 -4,-0.9 -1,-0.2 0.900 118.7 32.8 -74.1 -45.5 40.1 17.7 19.0 48 206 X V H < S+ 0 0 100 -4,-1.9 2,-0.2 1,-0.3 -2,-0.2 0.759 133.4 31.0 -85.6 -21.3 40.0 20.8 16.8 49 207 X N S >< S+ 0 0 52 -4,-2.7 3,-2.0 -5,-0.3 -1,-0.3 -0.653 71.1 171.8-134.7 71.9 36.5 21.9 17.8 50 208 X K T 3 S+ 0 0 167 -3,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.723 73.2 53.9 -64.2 -24.2 36.2 20.7 21.4 51 209 X N T 3 S+ 0 0 131 2,-0.1 -1,-0.3 0, 0.0 -5,-0.1 0.329 74.0 134.6 -94.4 7.7 32.9 22.6 22.1 52 210 X I < - 0 0 16 -3,-2.0 2,-0.3 -7,-0.2 -48,-0.1 -0.275 46.6-139.5 -57.1 141.0 31.0 21.2 19.1 53 211 X E - 0 0 121 -50,-0.5 -48,-2.9 3,-0.0 2,-1.0 -0.812 15.3-136.5-108.0 146.1 27.5 20.0 20.1 54 212 X Y E +b 5 0A 65 -2,-0.3 3,-0.2 -50,-0.2 -48,-0.2 -0.839 32.3 178.1 -90.5 94.6 25.3 17.0 19.2 55 213 X V E + 0 0 64 -50,-1.8 2,-0.3 -2,-1.0 -49,-0.2 0.693 66.2 18.8 -82.2 -18.8 22.2 19.1 18.8 56 214 X E E +b 6 0A 58 -51,-0.7 -49,-2.3 -3,-0.1 3,-0.4 -0.855 53.7 179.5-152.1 116.5 19.9 16.2 17.7 57 215 X K E S+ 0 0 131 -2,-0.3 -35,-0.1 -51,-0.2 -51,-0.1 0.377 86.3 48.3 -99.4 4.6 20.7 12.6 18.3 58 216 X N E S+ 0 0 111 2,-0.0 2,-0.5 -49,-0.0 -1,-0.2 -0.382 77.5 173.5-134.2 56.6 17.4 11.3 16.7 59 217 X A E -b 8 0A 0 -52,-3.0 -50,-2.5 -3,-0.4 -49,-0.4 -0.544 10.9-165.4 -77.0 120.9 17.5 13.3 13.4 60 218 X S >> - 0 0 37 -2,-0.5 4,-2.0 -52,-0.2 3,-0.5 -0.450 40.5 -97.1 -89.0 170.1 14.7 12.3 11.0 61 219 X P H 3> S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.874 126.5 58.4 -54.9 -35.8 14.6 13.3 7.3 62 220 X A H 3> S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.866 104.0 51.3 -63.3 -35.5 12.3 16.2 8.4 63 221 X F H <> S+ 0 0 70 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.927 109.5 49.0 -66.2 -44.4 15.0 17.5 10.7 64 222 X L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.887 106.0 58.2 -62.8 -35.3 17.6 17.4 7.9 65 223 X Q H X S+ 0 0 84 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.875 102.0 54.3 -63.5 -35.5 15.1 19.2 5.6 66 224 X R H X S+ 0 0 147 -4,-1.5 4,-2.6 2,-0.2 5,-0.4 0.890 105.2 53.8 -62.1 -38.9 15.1 22.1 8.2 67 225 X I H X S+ 0 0 7 -4,-1.5 4,-2.3 2,-0.2 6,-0.7 0.919 109.6 48.2 -61.0 -42.8 18.9 22.2 7.9 68 226 X V H X S+ 0 0 45 -4,-2.0 4,-1.7 4,-0.2 -2,-0.2 0.944 113.4 48.1 -59.7 -47.2 18.5 22.6 4.1 69 227 X E H < S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 123.1 29.0 -61.8 -46.1 15.8 25.3 4.5 70 228 X I H < S+ 0 0 103 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.879 133.9 27.0 -88.8 -37.5 17.7 27.5 7.0 71 229 X Y H < S- 0 0 78 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.456 88.5-132.3-110.6 -4.7 21.3 26.8 6.2 72 230 X Q < + 0 0 131 -4,-1.7 2,-0.2 -5,-0.4 -4,-0.2 0.797 44.0 175.9 63.1 30.9 21.3 25.9 2.5 73 231 X V - 0 0 7 -6,-0.7 2,-0.6 -40,-0.1 -40,-0.2 -0.491 29.4-140.8 -78.4 135.7 23.5 22.9 3.3 74 232 X K E -d 33 0A 131 -42,-2.4 -40,-2.2 -2,-0.2 2,-0.3 -0.869 22.8-141.0 -91.4 119.3 24.4 20.3 0.7 75 233 X F E +d 34 0A 9 -2,-0.6 2,-0.3 -42,-0.2 -40,-0.2 -0.617 24.5 176.8 -84.7 139.9 24.4 16.8 2.2 76 234 X E E -d 35 0A 47 -42,-2.1 -40,-0.6 -2,-0.3 3,-0.1 -0.883 23.6-123.7-134.3 165.2 27.0 14.2 1.3 77 235 X G - 0 0 23 -2,-0.3 -41,-0.4 1,-0.3 -1,-0.1 0.066 60.5 -42.4 -87.4-155.1 28.0 10.7 2.3 78 236 X K - 0 0 98 -43,-0.2 -1,-0.3 1,-0.1 -41,-0.1 -0.350 38.6-160.8 -71.2 154.4 31.4 9.5 3.6 79 237 X N S S+ 0 0 87 -43,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.302 77.1 38.6-120.0 8.4 34.6 10.8 2.0 80 238 X V 0 0 67 1,-0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.907 360.0 360.0-141.3 168.2 36.8 8.0 3.3 81 239 X H 0 0 221 -2,-0.3 -3,-0.1 -3,-0.1 -1,-0.0 0.861 360.0 360.0 -66.8 360.0 36.3 4.3 3.7