==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-09 3IR2 . COMPND 2 MOLECULE: DNA DC->DU-EDITING ENZYME APOBEC-3G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.D.SHANDILYA,C.A.SCHIFFER . 375 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 33 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 4 0 2 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 194 A R 0 0 150 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.5 30.6 7.0 5.3 2 195 A H - 0 0 176 3,-0.0 3,-0.1 157,-0.0 2,-0.0 -0.963 360.0-119.6-133.6 150.5 28.3 4.6 7.2 3 196 A S - 0 0 63 -2,-0.3 155,-0.2 1,-0.1 2,-0.2 -0.244 53.7 -73.3 -74.0 174.1 26.5 1.4 6.6 4 197 A M B -a 158 0A 3 153,-2.9 155,-3.4 1,-0.1 -1,-0.1 -0.498 47.1-111.1 -76.9 137.9 22.7 1.2 6.9 5 198 A D > - 0 0 84 -2,-0.2 4,-2.4 153,-0.2 3,-0.2 -0.440 25.7-129.9 -63.9 133.8 21.0 1.3 10.2 6 199 A P H > S+ 0 0 32 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.880 105.3 49.0 -60.1 -43.0 19.5 -2.1 11.0 7 200 A P H > S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.846 110.8 52.4 -63.9 -34.8 16.0 -0.9 12.0 8 201 A T H > S+ 0 0 38 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 112.4 45.7 -60.6 -48.0 16.0 1.2 8.8 9 202 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.960 115.7 45.1 -59.1 -53.1 16.8 -1.9 6.8 10 203 A T H X S+ 0 0 61 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.896 114.4 48.1 -61.6 -45.0 14.3 -4.1 8.6 11 204 A F H < S+ 0 0 111 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.929 119.4 38.7 -61.8 -45.2 11.5 -1.5 8.4 12 205 A N H < S+ 0 0 8 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.822 118.8 42.3 -80.6 -32.9 12.1 -0.9 4.7 13 206 A F H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.594 79.2 123.1 -95.4 -13.0 12.9 -4.3 3.3 14 207 A N < - 0 0 35 -4,-1.4 105,-0.0 -5,-0.3 -4,-0.0 -0.256 50.5-156.2 -39.0 121.7 10.2 -6.2 5.2 15 208 A N + 0 0 2 105,-0.0 -1,-0.1 153,-0.0 -3,-0.0 0.238 45.8 131.1 -99.6 14.7 8.0 -7.9 2.6 16 209 A E > - 0 0 50 1,-0.1 3,-0.6 2,-0.1 154,-0.0 -0.505 46.5-154.3 -63.6 124.3 4.8 -8.2 4.6 17 210 A P T 3 S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 80.1 66.0 -69.7 -38.0 2.0 -6.9 2.4 18 211 A W T 3 S+ 0 0 212 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.039 83.9 82.4 -89.5 33.3 -0.4 -5.8 5.1 19 212 A V < - 0 0 59 -3,-0.6 2,-0.3 -2,-0.3 3,-0.1 -0.915 58.6-160.0-121.5 159.4 1.5 -3.0 6.7 20 213 A R + 0 0 191 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.781 55.1 75.1-127.0 172.7 1.7 0.6 5.5 21 214 A G + 0 0 43 -2,-0.3 2,-1.4 1,-0.1 3,-0.3 0.466 51.8 124.3 101.3 2.7 4.1 3.5 6.1 22 215 A R + 0 0 14 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.537 24.0 151.4 -88.4 69.8 7.0 2.5 3.9 23 216 A H + 0 0 156 -2,-1.4 -1,-0.2 -3,-0.1 2,-0.0 0.768 47.9 77.5 -72.3 -24.6 6.9 5.7 1.9 24 217 A E - 0 0 58 -3,-0.3 2,-0.4 40,-0.0 40,-0.0 -0.306 69.2-141.4 -82.9 165.8 10.6 5.6 1.1 25 218 A T - 0 0 20 66,-0.1 26,-1.2 -2,-0.0 2,-0.4 -0.986 13.5-161.6-124.3 121.6 12.5 3.5 -1.4 26 219 A Y E -B 50 0B 32 -2,-0.4 65,-2.1 24,-0.2 2,-0.4 -0.829 5.4-167.0-100.0 142.7 15.9 2.2 -0.5 27 220 A L E -BC 49 90B 1 22,-2.7 22,-1.7 -2,-0.4 2,-0.4 -0.942 5.8-169.9-137.8 112.0 18.3 1.0 -3.2 28 221 A C E -BC 48 89B 0 61,-3.0 61,-3.3 -2,-0.4 2,-0.4 -0.851 15.0-165.9 -99.8 133.9 21.4 -1.0 -2.6 29 222 A Y E +BC 47 88B 29 18,-2.6 18,-1.7 -2,-0.4 2,-0.3 -0.934 15.4 178.7-129.2 146.1 23.8 -1.4 -5.5 30 223 A E E - C 0 87B 16 57,-2.1 57,-2.4 -2,-0.4 2,-0.4 -0.954 14.9-148.2-134.8 154.7 26.8 -3.6 -6.4 31 224 A V E - C 0 86B 2 11,-0.4 11,-2.7 -2,-0.3 2,-0.3 -0.986 9.1-170.7-130.5 136.8 28.9 -3.7 -9.6 32 225 A E E -DC 41 85B 23 53,-2.4 53,-2.1 -2,-0.4 2,-0.4 -0.931 9.9-150.1-120.1 149.3 30.7 -6.6 -11.3 33 226 A R E -DC 40 84B 83 7,-2.5 7,-2.5 -2,-0.3 2,-0.5 -0.971 23.6-118.8-117.2 136.4 33.1 -6.5 -14.2 34 227 A M E +D 39 0B 52 49,-2.6 2,-0.4 -2,-0.4 49,-0.3 -0.613 36.9 176.2 -71.3 116.3 33.5 -9.3 -16.6 35 228 A H E > -D 38 0B 111 3,-3.2 3,-1.7 -2,-0.5 -2,-0.0 -0.980 69.1 -24.3-127.9 116.5 37.1 -10.7 -16.4 36 229 A N T 3 S- 0 0 127 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.916 126.4 -48.9 43.4 54.3 38.0 -13.7 -18.5 37 230 A D T 3 S+ 0 0 154 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.531 121.1 104.5 73.0 5.3 34.4 -14.9 -18.7 38 231 A T E < S-D 35 0B 87 -3,-1.7 -3,-3.2 -5,-0.1 2,-0.4 -0.967 72.5-125.4-120.8 135.1 33.9 -14.6 -14.9 39 232 A W E -D 34 0B 69 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.651 30.3-163.6 -76.0 128.7 31.9 -11.8 -13.2 40 233 A V E -D 33 0B 65 -7,-2.5 -7,-2.5 -2,-0.4 -2,-0.0 -0.960 17.6-121.6-122.4 122.6 34.2 -10.1 -10.6 41 234 A K E -D 32 0B 93 -2,-0.5 2,-0.7 -9,-0.2 -9,-0.2 -0.286 12.5-154.1 -57.4 133.6 32.9 -7.9 -7.8 42 235 A L > - 0 0 61 -11,-2.7 3,-1.8 1,-0.1 -11,-0.4 -0.878 12.7-171.1-107.5 94.1 34.3 -4.4 -7.8 43 236 A N G > S+ 0 0 115 -2,-0.7 3,-0.8 1,-0.3 -1,-0.1 0.642 76.8 65.5 -73.3 -12.2 33.9 -3.6 -4.1 44 237 A Q G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.701 96.1 62.9 -74.1 -18.0 34.7 0.1 -4.2 45 238 A R G < S+ 0 0 87 -3,-1.8 -1,-0.2 -14,-0.2 -2,-0.2 0.584 77.8 113.5 -84.1 -8.2 31.5 0.4 -6.2 46 239 A R < + 0 0 43 -3,-0.8 2,-0.3 -4,-0.2 -16,-0.2 -0.273 37.7 126.8 -67.0 147.8 29.2 -0.7 -3.5 47 240 A G E -B 29 0B 15 -18,-1.7 -18,-2.6 2,-0.0 2,-0.3 -0.986 38.8-133.9-176.1 177.1 26.7 1.7 -2.0 48 241 A F E +B 28 0B 66 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.985 19.3 169.1-146.1 160.2 23.1 2.6 -1.0 49 242 A L E -B 27 0B 31 -22,-1.7 -22,-2.7 -2,-0.3 2,-0.3 -0.954 15.5-143.2-157.2 172.1 20.8 5.5 -1.3 50 243 A A E -B 26 0B 16 -2,-0.3 -24,-0.2 -24,-0.2 -26,-0.0 -0.890 35.9 -77.4-136.8 169.3 17.2 6.5 -0.9 51 244 A N - 0 0 37 -26,-1.2 13,-0.2 -2,-0.3 2,-0.2 -0.290 51.8-118.1 -62.0 153.5 14.6 8.7 -2.5 52 245 A Q - 0 0 106 11,-3.2 10,-0.1 1,-0.1 -1,-0.1 -0.599 19.1-111.0 -96.3 155.1 14.8 12.4 -1.7 53 246 A A - 0 0 75 -2,-0.2 10,-0.4 9,-0.1 -1,-0.1 -0.502 43.5 -97.9 -76.8 153.6 12.3 14.7 0.0 54 247 A P - 0 0 85 0, 0.0 7,-0.1 0, 0.0 8,-0.1 -0.387 43.4-100.6 -70.0 152.0 10.6 17.4 -2.1 55 248 A H > - 0 0 129 5,-0.3 3,-1.6 6,-0.1 5,-0.1 -0.418 27.5-116.3 -71.0 148.6 12.0 20.8 -2.0 56 249 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.763 109.2 73.5 -56.3 -26.3 10.3 23.4 0.1 57 250 A H T 3 S- 0 0 125 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.796 94.1-151.9 -61.2 -25.7 9.4 25.4 -3.0 58 251 A G < + 0 0 27 -3,-1.6 2,-2.0 2,-0.2 -1,-0.2 -0.305 62.7 87.9 88.2-173.5 6.7 22.8 -3.9 59 252 A F S S+ 0 0 212 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.1 -0.247 81.1 80.8 75.0 -48.4 5.2 21.6 -7.2 60 253 A L S S- 0 0 117 -2,-2.0 -5,-0.3 -5,-0.1 -2,-0.2 -0.741 77.1-126.3 -97.2 136.0 7.9 19.0 -7.8 61 254 A E - 0 0 156 -2,-0.4 2,-0.1 -7,-0.1 -6,-0.1 -0.354 39.4 -92.0 -64.7 152.8 8.1 15.6 -6.2 62 255 A G - 0 0 8 -10,-0.1 -1,-0.1 1,-0.1 -9,-0.1 -0.453 55.5 -89.4 -67.0 139.6 11.3 14.5 -4.4 63 256 A R - 0 0 111 -10,-0.4 -11,-3.2 -2,-0.1 -1,-0.1 -0.306 45.7-120.9 -57.8 126.6 13.7 12.7 -6.7 64 257 A H >> - 0 0 46 -13,-0.2 4,-1.8 1,-0.1 3,-0.9 -0.340 18.2-115.4 -71.6 149.6 13.1 9.0 -6.7 65 258 A A H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.857 113.3 58.9 -53.2 -40.6 15.8 6.6 -5.7 66 259 A E H 3> S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.821 105.4 47.9 -61.8 -36.9 16.1 5.2 -9.2 67 260 A L H <> S+ 0 0 37 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.876 111.4 50.2 -71.3 -40.1 16.9 8.5 -10.8 68 261 A C H X S+ 0 0 20 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.887 109.9 52.1 -63.2 -38.1 19.5 9.2 -8.1 69 262 A F H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.5 0.952 111.4 45.5 -60.9 -48.9 20.9 5.7 -8.9 70 263 A L H 3< S+ 0 0 19 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.847 108.1 61.0 -60.6 -34.6 21.0 6.6 -12.6 71 264 A D H 3< S+ 0 0 70 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.830 106.4 43.8 -60.5 -37.3 22.6 10.0 -11.6 72 265 A V H XX S+ 0 0 44 -4,-1.5 3,-1.1 -3,-0.5 4,-0.7 0.718 90.2 83.9 -86.5 -20.2 25.6 8.4 -10.0 73 266 A I G >< S+ 0 0 8 -4,-1.1 3,-1.3 1,-0.3 5,-0.4 0.864 87.3 54.3 -55.5 -43.0 26.5 5.8 -12.6 74 267 A P G >4 S+ 0 0 87 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.812 101.4 60.1 -59.7 -30.4 28.5 8.2 -14.9 75 268 A F G <4 S+ 0 0 175 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.657 88.7 71.6 -73.8 -15.8 30.7 9.2 -11.9 76 269 A W G << S- 0 0 16 -3,-1.3 -1,-0.3 -4,-0.7 -3,-0.1 0.681 96.7-143.9 -67.4 -18.8 31.7 5.5 -11.6 77 270 A K < - 0 0 85 -3,-1.3 -2,-0.1 -4,-0.3 2,-0.1 0.938 24.2-167.4 53.3 52.3 33.7 6.2 -14.9 78 271 A L - 0 0 23 -5,-0.4 2,-0.7 1,-0.1 -1,-0.1 -0.438 26.6-106.8 -70.5 146.3 32.9 2.8 -16.2 79 272 A D > - 0 0 71 1,-0.1 3,-2.2 -2,-0.1 -1,-0.1 -0.668 22.2-152.5 -78.6 112.9 34.9 1.6 -19.3 80 273 A L T 3 S+ 0 0 119 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.675 95.1 56.1 -64.1 -17.0 32.5 1.7 -22.3 81 274 A D T 3 S+ 0 0 142 2,-0.1 -1,-0.3 30,-0.0 2,-0.1 0.533 102.0 71.7 -89.4 -7.4 34.5 -1.0 -24.0 82 275 A Q S < S- 0 0 60 -3,-2.2 2,-0.5 -49,-0.0 -4,-0.0 -0.443 81.5-114.6-101.1 176.9 34.1 -3.4 -21.0 83 276 A D - 0 0 86 -49,-0.3 -49,-2.6 -2,-0.1 2,-0.4 -0.956 29.7-177.6-121.6 131.3 31.2 -5.3 -19.6 84 277 A Y E -Ce 33 112B 10 27,-2.7 29,-2.5 -2,-0.5 2,-0.5 -0.926 20.4-151.2-126.0 144.9 29.5 -4.7 -16.3 85 278 A R E -Ce 32 113B 77 -53,-2.1 -53,-2.4 -2,-0.4 2,-0.6 -0.983 18.2-165.8-111.4 119.6 26.7 -6.3 -14.3 86 279 A V E -Ce 31 114B 0 27,-2.8 29,-2.7 -2,-0.5 2,-0.5 -0.925 3.1-165.2-110.2 117.5 25.0 -3.8 -12.0 87 280 A T E -Ce 30 115B 8 -57,-2.4 -57,-2.1 -2,-0.6 2,-0.4 -0.887 3.8-169.0-110.5 126.3 22.7 -5.2 -9.3 88 281 A C E -Ce 29 116B 0 27,-3.0 29,-2.9 -2,-0.5 2,-0.6 -0.935 9.5-159.1-109.6 132.9 20.2 -3.1 -7.4 89 282 A F E -Ce 28 117B 6 -61,-3.3 -61,-3.0 -2,-0.4 2,-0.4 -0.969 24.0-173.6-106.9 116.8 18.4 -4.4 -4.3 90 283 A T E -Ce 27 118B 3 27,-2.1 29,-3.3 -2,-0.6 30,-0.3 -0.866 33.4-147.0-119.5 142.1 15.3 -2.2 -4.0 91 284 A S E S+ 0 0 0 -65,-2.1 29,-0.6 -2,-0.4 2,-0.3 0.840 93.7 24.0 -74.4 -30.8 12.7 -2.1 -1.2 92 285 A W E S- e 0 120B 53 -66,-0.3 29,-0.2 27,-0.2 -1,-0.2 -0.948 87.3-111.9-129.0 152.6 10.1 -1.2 -3.9 93 286 A S - 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