==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-SEP-12 3VYP . COMPND 2 MOLECULE: PROBABLE CONSERVED LIPOPROTEIN LPPS; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR W.J.LI,D.F.LI,L.J.BI,D.C.WANG . 532 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 65 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 2 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 PARALLEL BRIDGES PER LADDER . 4 2 0 6 2 8 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 2 4 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 1 141 A L 0 0 218 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.6 24.2 -39.9 -6.9 2 142 A T - 0 0 101 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.977 360.0-122.4-122.5 129.2 27.6 -40.6 -5.3 3 143 A F - 0 0 150 -2,-0.4 2,-0.7 1,-0.1 0, 0.0 -0.456 19.7-146.8 -68.7 135.8 28.7 -39.3 -1.9 4 144 A Q - 0 0 71 -2,-0.2 86,-0.1 96,-0.1 -1,-0.1 -0.913 9.7-144.7-107.4 108.6 31.8 -37.3 -1.9 5 145 A T - 0 0 120 -2,-0.7 2,-0.3 85,-0.1 85,-0.0 -0.365 24.4-171.3 -60.7 147.2 34.0 -37.7 1.2 6 146 A S - 0 0 70 -2,-0.0 5,-0.1 5,-0.0 -1,-0.0 -0.800 18.9-141.7-133.8 178.6 35.7 -34.5 2.3 7 147 A S > - 0 0 55 -2,-0.3 3,-1.4 3,-0.1 -2,-0.0 -0.975 37.7 -94.5-146.1 131.3 38.3 -33.3 4.8 8 148 A P T 3 S+ 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.054 109.7 22.3 -44.3 141.2 38.2 -30.0 6.7 9 149 A A T 3 S+ 0 0 86 2,-0.1 3,-0.0 1,-0.1 0, 0.0 0.547 107.3 83.1 75.4 11.1 40.1 -27.1 5.1 10 150 A H < + 0 0 84 -3,-1.4 88,-2.1 87,-0.1 2,-0.4 -0.004 69.3 94.6-132.5 29.6 39.9 -28.7 1.6 11 151 A L E -a 98 0A 39 86,-0.2 2,-0.4 -5,-0.1 88,-0.2 -0.956 46.4-170.9-124.9 140.9 36.4 -27.6 0.6 12 152 A T E -a 99 0A 0 86,-2.3 88,-2.8 -2,-0.4 89,-0.4 -0.999 12.1-147.4-131.3 137.8 35.2 -24.6 -1.5 13 153 A M - 0 0 39 -2,-0.4 22,-1.5 86,-0.2 2,-0.3 -0.863 11.7-139.7-103.4 130.6 31.6 -23.5 -2.0 14 154 A P E -C 34 0B 3 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.650 11.7-162.1 -84.3 146.1 30.4 -21.9 -5.2 15 155 A Y E -C 33 0B 138 18,-2.0 18,-3.0 -2,-0.3 2,-0.4 -0.999 11.0-154.0-128.8 126.5 28.0 -18.9 -5.1 16 156 A V E -C 32 0B 21 -2,-0.4 16,-0.2 16,-0.2 4,-0.1 -0.826 9.9-129.5-110.3 138.7 26.1 -18.1 -8.3 17 157 A M E S+C 31 0B 79 14,-2.5 14,-2.9 -2,-0.4 2,-0.2 -0.954 71.6 44.5-129.9 153.4 24.6 -14.8 -9.5 18 158 A P S S- 0 0 0 0, 0.0 3,-0.1 0, 0.0 13,-0.1 0.580 94.7 -97.9 -75.5-177.1 22.1 -13.6 -10.5 19 159 A G > - 0 0 15 -2,-0.2 3,-1.9 1,-0.1 2,-0.2 -0.208 41.7 -87.6 -71.1 154.9 19.4 -15.0 -8.3 20 160 A D T 3 S+ 0 0 101 1,-0.3 87,-0.2 -4,-0.1 -1,-0.1 -0.413 113.7 6.0 -61.9 124.8 17.2 -18.0 -9.1 21 161 A G T 3 S+ 0 0 46 85,-3.8 -1,-0.3 1,-0.2 86,-0.2 0.416 96.6 145.1 83.7 -1.4 14.1 -16.7 -11.0 22 162 A E < - 0 0 81 -3,-1.9 86,-2.3 84,-0.4 2,-0.5 -0.318 46.8-137.8 -72.1 150.5 15.4 -13.2 -11.2 23 163 A V E +f 108 0C 79 84,-0.2 2,-0.3 86,-0.1 86,-0.2 -0.955 34.0 177.1-103.5 124.3 14.7 -10.9 -14.2 24 164 A V E -f 109 0C 1 84,-2.5 86,-3.0 -2,-0.5 208,-0.2 -0.797 27.7 -91.1-127.2 166.7 17.9 -9.0 -15.0 25 165 A G > - 0 0 0 206,-2.6 3,-1.6 -2,-0.3 208,-0.2 -0.118 43.0 -97.1 -75.0 174.9 19.1 -6.5 -17.6 26 166 A V T 3 S+ 0 0 0 85,-0.4 50,-2.6 1,-0.3 207,-0.2 0.556 119.0 55.9 -73.9 -8.2 20.8 -7.1 -20.9 27 167 A G T 3 S+ 0 0 0 205,-2.7 -1,-0.3 48,-0.2 205,-0.1 0.378 74.9 123.1-100.9 4.2 24.3 -6.6 -19.5 28 168 A E < - 0 0 10 -3,-1.6 2,-0.1 204,-0.2 -4,-0.1 -0.530 46.1-156.4 -77.1 115.2 24.2 -9.2 -16.7 29 169 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 42,-0.2 -0.488 26.0-107.8 -78.1 155.3 26.9 -11.8 -16.8 30 170 A V E - D 0 70B 0 40,-2.7 40,-2.1 -2,-0.1 2,-0.4 -0.698 43.0-160.5 -72.1 135.3 26.6 -15.2 -15.2 31 171 A A E -CD 17 69B 8 -14,-2.9 -14,-2.5 -2,-0.4 2,-0.5 -0.986 20.2-176.8-126.9 128.7 28.8 -15.1 -12.1 32 172 A I E -CD 16 68B 0 36,-2.6 36,-2.6 -2,-0.4 2,-0.5 -0.968 11.9-176.9-121.1 113.4 30.3 -18.0 -10.1 33 173 A R E -CD 15 67B 93 -18,-3.0 -18,-2.0 -2,-0.5 2,-0.3 -0.939 10.2-153.6-113.2 128.9 32.3 -16.9 -7.1 34 174 A F E -C 14 0B 0 32,-3.1 4,-0.1 -2,-0.5 -22,-0.0 -0.709 20.1-131.7 -99.8 152.0 34.1 -19.4 -4.9 35 175 A D S S+ 0 0 61 -22,-1.5 2,-0.3 -2,-0.3 -1,-0.1 0.393 93.5 44.5 -84.5 5.6 34.9 -18.9 -1.2 36 176 A E S S- 0 0 83 -23,-0.2 -2,-0.2 30,-0.2 2,-0.2 -0.940 100.2 -88.2-136.0 161.1 38.4 -20.0 -1.9 37 177 A N - 0 0 100 -2,-0.3 2,-0.6 1,-0.1 29,-0.2 -0.471 41.1-134.8 -64.7 139.5 41.0 -19.3 -4.6 38 178 A I + 0 0 1 27,-2.5 3,-0.2 1,-0.2 56,-0.1 -0.884 24.3 178.3-104.3 118.0 40.7 -21.7 -7.6 39 179 A A S S+ 0 0 7 54,-0.9 2,-1.1 -2,-0.6 55,-0.2 0.876 76.9 52.6 -83.7 -40.3 43.9 -23.2 -8.9 40 180 A D > + 0 0 73 53,-2.6 4,-1.7 1,-0.2 -1,-0.2 -0.717 60.6 168.6-100.6 84.8 42.5 -25.3 -11.7 41 181 A R H > S+ 0 0 4 -2,-1.1 4,-2.6 1,-0.2 5,-0.2 0.865 76.3 58.8 -63.1 -37.7 40.3 -22.9 -13.6 42 182 A G H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 104.9 49.7 -58.7 -43.0 39.9 -25.5 -16.4 43 183 A A H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 110.7 50.1 -62.5 -42.9 38.3 -27.9 -14.0 44 184 A A H < S+ 0 0 0 -4,-1.7 4,-0.4 1,-0.2 3,-0.2 0.933 111.9 47.1 -61.1 -46.6 35.9 -25.3 -12.7 45 185 A E H >< S+ 0 0 43 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.900 109.0 54.1 -62.9 -40.2 34.8 -24.3 -16.2 46 186 A K H 3< S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.6 52.1 -62.8 -32.1 34.3 -27.9 -17.2 47 187 A A T 3< S+ 0 0 12 -4,-1.5 40,-2.9 -3,-0.2 2,-0.6 0.516 96.2 80.8 -82.9 -6.9 32.0 -28.4 -14.2 48 188 A I E < -G 86 0C 6 -3,-1.3 2,-0.6 -4,-0.4 38,-0.2 -0.906 59.6-169.6-110.2 118.1 29.9 -25.4 -15.1 49 189 A K E -G 85 0C 128 36,-2.9 36,-2.8 -2,-0.6 2,-0.5 -0.913 5.0-178.3-110.7 112.4 27.2 -25.9 -17.7 50 190 A I E -G 84 0C 22 -2,-0.6 2,-0.3 34,-0.2 34,-0.2 -0.941 3.5-178.9-111.8 127.3 25.5 -22.7 -19.0 51 191 A T E -G 83 0C 85 32,-2.3 32,-2.7 -2,-0.5 2,-0.3 -0.945 6.0-161.7-126.8 150.3 22.7 -23.0 -21.6 52 192 A T E -G 82 0C 22 -2,-0.3 30,-0.2 30,-0.2 28,-0.0 -0.916 12.9-128.7-133.4 153.4 20.6 -20.3 -23.2 53 193 A N E S+G 81 0C 111 28,-1.9 28,-2.9 1,-0.4 -2,-0.0 -0.869 107.1 31.8-153.0 112.9 17.4 -20.0 -25.1 54 194 A P S S- 0 0 54 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.493 118.1-118.4 -60.2 145.4 17.4 -18.6 -27.7 55 195 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.399 39.8 175.2 -70.6 132.2 20.9 -20.1 -27.9 56 196 A V - 0 0 66 -2,-0.2 2,-0.3 17,-0.0 -4,-0.1 -0.976 36.1-103.2-133.2 150.0 23.9 -17.7 -28.1 57 197 A E + 0 0 114 -2,-0.3 16,-0.6 2,-0.0 2,-0.3 -0.525 49.0 166.7 -70.0 131.2 27.6 -18.2 -28.0 58 198 A G E -E 72 0B 21 -2,-0.3 2,-0.3 14,-0.2 -8,-0.1 -0.913 14.9-162.7-140.2 170.0 29.1 -17.3 -24.6 59 199 A A E -E 71 0B 15 12,-1.8 12,-1.5 -2,-0.3 2,-0.3 -0.992 20.3-107.9-155.9 156.6 32.4 -17.9 -22.8 60 200 A F E +E 70 0B 28 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.635 28.5 175.1 -88.1 143.6 34.1 -17.8 -19.4 61 201 A Y E -E 69 0B 3 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -0.975 24.7-134.2-145.6 133.0 36.6 -15.2 -18.2 62 202 A W E -E 68 0B 2 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.767 10.4-168.0 -90.4 123.6 38.1 -15.0 -14.7 63 203 A L S S- 0 0 6 4,-2.0 2,-0.2 -2,-0.5 -1,-0.1 0.752 75.8 -29.6 -75.7 -25.7 38.1 -11.5 -13.1 64 204 A N S S- 0 0 51 3,-1.0 3,-0.2 226,-0.0 225,-0.1 -0.882 86.7 -65.5-169.7-169.1 40.5 -12.8 -10.4 65 205 A N S S+ 0 0 24 223,-0.3 -27,-2.5 -2,-0.2 -29,-0.1 0.602 127.6 43.7 -73.4 -10.8 41.3 -16.1 -8.5 66 206 A R S S+ 0 0 73 -29,-0.2 -32,-3.1 1,-0.2 2,-0.4 0.680 108.4 50.1-105.7 -26.0 37.8 -16.2 -6.9 67 207 A E E -D 33 0B 10 -34,-0.2 -4,-2.0 -3,-0.2 -3,-1.0 -0.962 51.3-170.1-136.7 126.5 35.3 -15.3 -9.5 68 208 A V E -DE 32 62B 0 -36,-2.6 -36,-2.6 -2,-0.4 2,-0.3 -0.855 11.9-158.9-110.2 145.8 34.5 -16.4 -13.1 69 209 A R E -DE 31 61B 8 -8,-2.6 -8,-2.5 -2,-0.3 2,-0.4 -0.916 3.8-162.0-122.7 150.8 32.1 -14.7 -15.4 70 210 A W E +DE 30 60B 21 -40,-2.1 -40,-2.7 -2,-0.3 -10,-0.2 -0.999 23.9 145.2-132.7 130.8 30.2 -15.9 -18.5 71 211 A R E - E 0 59B 3 -12,-1.5 -12,-1.8 -2,-0.4 4,-0.1 -0.981 41.7-107.1-153.5 162.7 28.6 -13.7 -21.1 72 212 A P E - E 0 58B 2 0, 0.0 -14,-0.2 0, 0.0 4,-0.1 -0.259 41.1-100.6 -79.3 179.0 27.9 -13.5 -24.9 73 213 A E S S+ 0 0 84 -16,-0.6 2,-0.3 2,-0.1 185,-0.1 0.860 105.5 29.8 -69.7 -38.5 29.7 -11.2 -27.3 74 214 A H S S- 0 0 137 1,-0.2 3,-0.1 184,-0.0 180,-0.0 -0.772 106.3 -71.4-118.9 164.8 26.9 -8.7 -27.4 75 215 A F - 0 0 59 -2,-0.3 -48,-0.2 1,-0.1 -1,-0.2 -0.147 65.8 -90.2 -50.9 149.1 24.2 -7.7 -24.8 76 216 A W - 0 0 7 -50,-2.6 -1,-0.1 -51,-0.1 -50,-0.1 -0.260 36.9-113.6 -61.3 148.0 21.6 -10.3 -24.2 77 217 A K > - 0 0 129 -23,-0.1 3,-1.9 -3,-0.1 32,-0.2 -0.702 42.0-103.5 -76.6 129.2 18.4 -10.3 -26.3 78 218 A P T 3 S+ 0 0 47 0, 0.0 32,-0.2 0, 0.0 33,-0.1 -0.250 107.1 32.5 -51.7 140.0 15.4 -9.5 -24.1 79 219 A G T 3 S+ 0 0 59 30,-2.6 31,-0.1 1,-0.3 32,-0.1 0.209 82.4 143.9 96.7 -14.6 13.4 -12.6 -23.2 80 220 A T < - 0 0 5 -3,-1.9 29,-2.2 30,-0.2 2,-0.4 -0.331 41.4-143.9 -60.5 136.0 16.4 -14.9 -23.2 81 221 A A E -GH 53 108C 41 -28,-2.9 -28,-1.9 27,-0.2 2,-0.4 -0.882 14.3-162.8-101.4 137.1 16.2 -17.7 -20.6 82 222 A V E -GH 52 107C 2 25,-2.9 25,-2.5 -2,-0.4 2,-0.4 -0.979 5.8-166.7-126.6 129.6 19.5 -18.7 -19.0 83 223 A D E -GH 51 106C 59 -32,-2.7 -32,-2.3 -2,-0.4 2,-0.5 -0.959 4.0-166.3-116.7 132.0 20.1 -21.9 -17.1 84 224 A V E -GH 50 105C 0 21,-3.2 21,-2.1 -2,-0.4 2,-0.6 -0.957 6.7-177.0-124.5 115.0 23.2 -22.4 -14.9 85 225 A A E -GH 49 104C 10 -36,-2.8 -36,-2.9 -2,-0.5 2,-1.0 -0.928 5.3-169.5-111.7 106.9 24.3 -25.8 -13.6 86 226 A V E -GH 48 103C 0 17,-3.2 17,-2.0 -2,-0.6 2,-1.1 -0.816 7.0-178.7 -96.8 95.5 27.4 -25.6 -11.4 87 227 A N + 0 0 73 -40,-2.9 15,-0.2 -2,-1.0 -39,-0.1 -0.392 32.7 131.3 -96.6 56.7 28.2 -29.2 -11.0 88 228 A T > + 0 0 0 -2,-1.1 3,-2.4 13,-0.4 11,-0.4 0.470 21.4 130.9 -92.2 -4.6 31.2 -28.8 -8.7 89 229 A Y T 3 S- 0 0 61 1,-0.3 11,-0.2 -3,-0.2 3,-0.1 -0.321 89.5 -5.3 -56.3 117.3 30.4 -31.4 -6.0 90 230 A G T 3 S+ 0 0 18 9,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.465 96.4 145.5 77.9 2.5 33.5 -33.5 -5.5 91 231 A V < - 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0 0 81 -89,-0.4 -13,-0.4 -12,-0.0 2,-0.3 -0.968 65.1-100.7-165.2 170.5 28.3 -28.8 -3.5 102 242 A N - 0 0 68 -2,-0.3 2,-0.3 -14,-0.2 -15,-0.2 -0.719 28.4-160.9 -97.6 157.8 26.4 -28.2 -6.7 103 243 A V E - H 0 86C 42 -17,-2.0 -17,-3.2 -2,-0.3 2,-0.4 -0.995 4.1-168.9-137.7 144.0 24.3 -25.2 -7.4 104 244 A Q E + H 0 85C 100 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.931 14.2 164.5-139.4 112.1 21.5 -24.7 -10.0 105 245 A T E - H 0 84C 11 -21,-2.1 -21,-3.2 -2,-0.4 2,-0.3 -0.868 15.4-165.4-125.0 159.1 20.0 -21.4 -11.0 106 246 A H E + H 0 83C 93 -2,-0.3 -85,-3.8 -23,-0.2 -84,-0.4 -0.997 13.9 165.8-141.6 142.4 17.8 -20.0 -13.8 107 247 A F E - H 0 82C 1 -25,-2.5 -25,-2.9 -2,-0.3 2,-0.3 -0.920 21.2-134.4-146.6 173.2 17.1 -16.5 -14.8 108 248 A T E -fH 23 81C 51 -86,-2.3 -84,-2.5 -2,-0.3 2,-0.5 -0.944 19.6-117.1-133.1 156.8 15.6 -14.4 -17.6 109 249 A I E -f 24 0C 5 -29,-2.2 -30,-2.6 -2,-0.3 -84,-0.2 -0.804 30.0-163.1 -94.7 129.2 16.6 -11.2 -19.4 110 250 A G - 0 0 13 -86,-3.0 -30,-0.2 -2,-0.5 -31,-0.2 0.109 43.8 -31.6 -89.0-154.9 14.2 -8.2 -19.2 111 251 A D - 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