==== 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 3VYO . 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 . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 25.2 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 . 1 0.2 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 . 58 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4 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 0 6 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 1 148 A P 0 0 124 0, 0.0 2,-0.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-162.7 53.6 97.9 114.3 2 149 A A + 0 0 88 2,-0.8 3,-0.0 1,-0.1 0, 0.0 -0.425 360.0 39.3 93.1 -53.6 53.9 94.6 116.3 3 150 A H S S+ 0 0 111 -2,-0.8 88,-3.5 87,-0.1 2,-0.4 0.361 112.4 78.1-101.5 0.5 50.1 94.5 116.9 4 151 A L E -a 91 0A 47 86,-0.2 -2,-0.8 89,-0.0 2,-0.4 -0.927 59.5-172.5-116.1 135.1 49.7 95.7 113.3 5 152 A T E -a 92 0A 0 86,-2.2 88,-3.3 -2,-0.4 89,-0.4 -0.959 15.5-140.9-126.2 143.8 50.0 93.6 110.1 6 153 A X - 0 0 35 -2,-0.4 22,-0.9 86,-0.2 2,-0.2 -0.909 16.3-144.4-107.4 122.3 49.9 94.8 106.5 7 154 A P E -D 27 0B 1 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.612 8.1-157.6 -86.4 145.7 48.1 92.6 103.9 8 155 A Y E -D 26 0B 133 18,-2.8 18,-3.5 -2,-0.2 2,-0.4 -0.985 8.5-153.2-123.5 131.6 49.4 92.3 100.3 9 156 A V E -D 25 0B 27 -2,-0.4 16,-0.2 16,-0.2 4,-0.1 -0.851 12.4-127.5-112.1 142.8 47.0 91.3 97.5 10 157 A X E S+D 24 0B 75 14,-2.6 14,-3.0 -2,-0.4 2,-0.2 -0.965 73.3 45.4-133.6 149.2 47.8 89.5 94.2 11 158 A P S S- 0 0 0 0, 0.0 3,-0.1 0, 0.0 13,-0.1 0.540 96.7 -95.0 -73.6-178.5 47.4 89.8 91.3 12 159 A G > - 0 0 23 -2,-0.2 3,-1.9 1,-0.1 2,-0.3 -0.183 43.5 -90.3 -63.8 153.9 48.3 93.4 90.6 13 160 A D T 3 S+ 0 0 125 1,-0.3 87,-0.2 -4,-0.1 -1,-0.1 -0.482 115.1 8.0 -66.2 121.3 45.7 96.2 90.4 14 161 A G T 3 S+ 0 0 52 85,-4.7 -1,-0.3 -2,-0.3 86,-0.2 0.382 96.1 145.7 88.1 -2.9 44.6 96.4 86.8 15 162 A E < - 0 0 64 -3,-1.9 86,-2.4 84,-0.4 2,-0.6 -0.284 45.5-138.9 -70.6 150.6 46.4 93.3 85.7 16 163 A V E +g 101 0C 71 84,-0.2 2,-0.3 86,-0.1 86,-0.2 -0.960 33.5 175.7-107.2 122.9 45.1 90.9 83.1 17 164 A V E -g 102 0C 0 84,-2.7 86,-2.9 -2,-0.6 208,-0.3 -0.799 28.2 -93.6-126.8 169.1 45.7 87.3 84.1 18 165 A G > - 0 0 0 206,-2.6 3,-1.5 -2,-0.3 208,-0.2 -0.141 44.2 -94.1 -75.6 174.6 44.9 83.8 82.9 19 166 A V T 3 S+ 0 0 0 85,-0.5 50,-2.8 1,-0.3 207,-0.2 0.547 119.9 54.9 -67.2 -8.7 42.0 81.5 83.8 20 167 A G T 3 S+ 0 0 0 205,-2.5 -1,-0.3 48,-0.2 205,-0.2 0.363 74.2 123.7-107.2 6.6 43.9 79.8 86.6 21 168 A E < - 0 0 13 -3,-1.5 2,-0.1 204,-0.2 -4,-0.1 -0.520 47.4-154.3 -73.4 117.6 44.9 82.8 88.6 22 169 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 42,-0.2 -0.506 23.8-108.4 -86.7 159.5 43.8 82.6 92.3 23 170 A V E - E 0 63B 0 40,-2.9 40,-2.2 -2,-0.1 2,-0.4 -0.745 41.7-162.2 -81.9 133.9 43.2 85.7 94.4 24 171 A A E -DE 10 62B 8 -14,-3.0 -14,-2.6 -2,-0.4 2,-0.5 -0.981 17.0-173.2-126.7 129.2 46.0 85.8 96.9 25 172 A I E -DE 9 61B 0 36,-2.5 36,-2.3 -2,-0.4 2,-0.5 -0.970 11.2-171.8-120.3 115.3 46.1 87.7 100.2 26 173 A R E -DE 8 60B 117 -18,-3.5 -18,-2.8 -2,-0.5 2,-0.3 -0.927 6.4-156.7-113.5 128.2 49.5 87.6 102.0 27 174 A F E -D 7 0B 2 32,-3.4 4,-0.1 -2,-0.5 -2,-0.0 -0.730 20.2-136.5-101.0 150.3 50.0 89.0 105.5 28 175 A D S S+ 0 0 47 -22,-0.9 2,-0.3 -2,-0.3 -1,-0.1 0.362 93.2 45.4 -84.8 5.2 53.4 90.1 106.9 29 176 A E S S- 0 0 69 30,-0.2 -2,-0.1 -23,-0.1 2,-0.1 -0.984 99.7 -92.4-144.6 150.9 52.5 88.3 110.1 30 177 A N - 0 0 87 -2,-0.3 2,-0.8 1,-0.1 29,-0.2 -0.396 40.8-124.2 -65.0 140.0 51.0 84.9 110.9 31 178 A I - 0 0 8 27,-2.9 3,-0.4 1,-0.2 56,-0.1 -0.784 24.0-174.8 -92.5 109.1 47.2 85.0 111.2 32 179 A A S S+ 0 0 50 -2,-0.8 2,-0.7 55,-0.3 55,-0.3 0.886 83.7 42.0 -67.0 -39.7 46.1 83.6 114.6 33 180 A D >> + 0 0 73 53,-3.0 4,-1.6 1,-0.2 3,-0.5 -0.762 63.6 173.5-112.7 86.2 42.4 83.9 113.6 34 181 A R H 3> S+ 0 0 18 -2,-0.7 4,-2.4 225,-0.5 5,-0.2 0.840 79.7 60.4 -59.3 -33.9 42.0 82.7 110.0 35 182 A G H 3> S+ 0 0 35 224,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.898 103.4 49.7 -61.3 -40.9 38.3 83.0 110.3 36 183 A A H <> S+ 0 0 19 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.914 110.1 50.7 -63.8 -44.6 38.5 86.7 111.1 37 184 A A H X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.925 109.7 49.6 -60.3 -46.8 40.7 87.3 108.1 38 185 A E H >< S+ 0 0 42 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.868 109.5 52.4 -61.1 -37.0 38.4 85.5 105.7 39 186 A K H 3< S+ 0 0 186 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 106.4 53.7 -67.8 -33.9 35.5 87.5 107.0 40 187 A A H 3< S+ 0 0 13 -4,-1.7 40,-2.5 -3,-0.2 2,-0.6 0.571 93.2 87.3 -77.7 -9.4 37.3 90.7 106.4 41 188 A I E << -H 79 0C 12 -3,-0.7 2,-0.5 -4,-0.6 38,-0.2 -0.830 58.5-171.4 -99.6 117.6 38.0 89.8 102.7 42 189 A K E -H 78 0C 122 36,-3.3 36,-3.2 -2,-0.6 2,-0.5 -0.919 1.8-173.7-109.8 126.7 35.3 90.7 100.2 43 190 A I E -H 77 0C 32 -2,-0.5 2,-0.4 34,-0.2 34,-0.2 -0.974 2.5-172.3-124.3 123.8 35.5 89.4 96.7 44 191 A T E -H 76 0C 66 32,-2.7 32,-3.1 -2,-0.5 2,-0.3 -0.948 6.5-172.8-116.4 133.6 33.1 90.5 93.9 45 192 A T E -H 75 0C 15 -2,-0.4 30,-0.2 30,-0.2 4,-0.1 -0.942 16.5-132.0-127.4 148.6 33.1 88.9 90.4 46 193 A N E S+H 74 0C 109 28,-2.1 28,-2.8 -2,-0.3 -2,-0.0 -0.906 105.6 35.6-146.7 113.5 31.3 89.6 87.2 47 194 A P S S- 0 0 62 0, 0.0 -1,-0.3 0, 0.0 23,-0.1 0.432 117.2-118.3 -57.4 144.9 30.0 87.3 85.9 48 195 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.325 41.9 172.5 -62.9 140.1 29.3 86.2 89.5 49 196 A V - 0 0 65 -4,-0.1 2,-0.1 -2,-0.0 -4,-0.1 -0.985 32.6-112.3-153.1 140.7 30.8 82.9 90.5 50 197 A E + 0 0 114 -2,-0.3 16,-0.5 2,-0.0 2,-0.3 -0.415 42.9 161.6 -70.8 147.4 31.2 80.9 93.7 51 198 A G E -F 65 0B 18 14,-0.2 2,-0.3 -2,-0.1 12,-0.0 -0.920 19.7-147.3-154.6 174.8 34.6 80.5 95.2 52 199 A A E -F 64 0B 13 12,-1.8 12,-1.5 -2,-0.3 2,-0.3 -0.983 17.4-108.9-151.5 160.7 36.2 79.7 98.6 53 200 A F E +F 63 0B 30 -2,-0.3 2,-0.3 202,-0.2 10,-0.2 -0.643 29.4 173.0 -92.5 147.7 39.3 80.4 100.8 54 201 A Y E -F 62 0B 26 8,-2.1 8,-2.7 -2,-0.3 2,-0.4 -0.944 26.1-130.8-152.9 130.1 42.1 77.9 101.5 55 202 A W E -F 61 0B 2 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.716 13.4-170.2 -89.9 131.0 45.3 78.7 103.3 56 203 A L S S- 0 0 17 4,-2.2 2,-0.3 -2,-0.4 5,-0.1 0.724 77.2 -23.9 -86.0 -25.4 48.7 77.7 101.9 57 204 A N S S- 0 0 75 3,-1.2 3,-0.2 0, 0.0 -1,-0.2 -0.892 87.6 -68.0-164.5-170.8 50.5 78.6 105.1 58 205 A N S S+ 0 0 85 -2,-0.3 -27,-2.9 1,-0.2 3,-0.1 0.624 128.3 35.8 -71.1 -13.4 50.0 80.8 108.2 59 206 A R S S+ 0 0 91 -29,-0.2 -32,-3.4 1,-0.2 2,-0.4 0.560 109.7 60.5-116.1 -10.9 50.4 84.0 106.4 60 207 A E E -E 26 0B 12 -34,-0.2 -4,-2.2 -3,-0.2 -3,-1.2 -0.962 51.8-176.3-130.6 127.4 48.8 83.5 103.0 61 208 A V E -EF 25 55B 0 -36,-2.3 -36,-2.5 -2,-0.4 2,-0.3 -0.858 11.1-154.4-114.8 149.7 45.2 82.6 102.0 62 209 A R E -EF 24 54B 9 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.4 -0.896 3.3-162.3-122.0 151.6 44.0 81.9 98.4 63 210 A W E +EF 23 53B 23 -40,-2.2 -40,-2.9 -2,-0.3 -10,-0.2 -0.999 22.4 148.6-136.2 131.5 40.5 82.2 96.9 64 211 A R E - 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0 0 39 -3,-2.6 2,-1.0 8,-0.1 8,-0.9 -0.886 61.9-138.3-106.7 128.2 39.7 93.9 112.7 85 232 A D B -C 91 0A 64 -2,-0.5 6,-0.2 6,-0.2 3,-0.2 -0.740 15.5-170.3 -84.2 104.3 41.4 91.7 115.2 86 233 A L - 0 0 0 4,-3.5 -53,-3.0 -2,-1.0 -54,-0.3 0.235 65.2 -53.2 -79.7 14.8 43.0 89.0 113.0 87 234 A G S > S+ 0 0 5 3,-0.4 3,-0.6 -55,-0.3 -55,-0.3 0.179 117.0 18.4 116.9 125.8 43.8 87.0 116.2 88 235 A E T 3 S- 0 0 186 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.851 131.6 -48.7 57.2 41.8 45.6 87.6 119.5 89 236 A G T 3 S+ 0 0 35 1,-0.2 2,-0.6 -4,-0.0 -1,-0.2 0.704 99.3 138.8 76.3 19.7 45.4 91.4 119.4 90 237 A X < - 0 0 19 -3,-0.6 -4,-3.5 -86,-0.1 -3,-0.4 -0.878 29.9-172.4-102.0 125.0 46.7 91.8 115.8 91 238 A F E -aC 4 85A 76 -88,-3.5 -86,-2.2 -2,-0.6 -6,-0.2 -0.848 31.5 -94.9-117.6 153.1 44.9 94.4 113.7 92 239 A G E -ab 5 82A 2 -11,-1.6 -9,-0.5 -8,-0.9 -86,-0.2 -0.412 23.8-144.9 -64.7 133.1 45.1 95.3 110.0 93 240 A E S S- 0 0 91 -88,-3.3 2,-0.3 1,-0.2 -87,-0.2 0.727 75.8 -29.1 -70.8 -21.3 47.5 98.2 109.4 94 241 A D S S- 0 0 85 -89,-0.4 -13,-0.4 -15,-0.1 2,-0.3 -0.962 71.1 -87.6 179.9 169.6 45.2 99.4 106.6 95 242 A N - 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0 0 77 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.224 23.4-119.3 -54.3 142.4 105.8 57.4 84.0 514 398 B W H > S+ 0 0 25 1,-0.2 4,-3.7 2,-0.2 5,-0.4 0.900 113.1 54.9 -50.4 -48.6 108.6 57.2 81.5 515 399 B D H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 112.9 42.7 -53.7 -43.9 110.3 54.3 83.3 516 400 B Q H > S+ 0 0 97 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.915 117.0 46.6 -69.2 -44.4 107.1 52.3 83.2 517 401 B W H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.965 112.3 49.3 -61.7 -54.0 106.3 53.3 79.6 518 402 B R H 3< S+ 0 0 121 -4,-3.7 -1,-0.2 1,-0.3 -202,-0.2 0.836 104.0 60.5 -54.6 -37.4 109.8 52.5 78.3 519 403 B A H 3< S- 0 0 85 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.816 97.1-165.1 -61.8 -29.8 109.7 49.1 80.1 520 404 B G << - 0 0 24 -3,-1.3 -203,-0.2 -4,-0.9 -1,-0.1 -0.094 25.3-113.8 73.1-174.7 106.7 48.3 77.9 521 405 B N + 0 0 28 -205,-0.2 -1,-0.2 3,-0.1 -224,-0.1 -0.071 66.8 125.4-154.0 38.4 104.2 45.5 78.3 522 406 B A S S+ 0 0 30 1,-0.2 -224,-0.5 -206,-0.1 -225,-0.4 0.776 80.6 48.3 -72.0 -27.5 104.8 43.2 75.3 523 407 B K 0 0 209 -226,-0.1 -1,-0.2 -227,-0.1 -2,-0.1 0.777 360.0 360.0 -83.1 -28.9 105.3 40.2 77.6 524 408 B A 0 0 115 -227,-0.0 -227,-0.2 0, 0.0 -3,-0.1 -0.069 360.0 360.0 -63.2 360.0 102.2 40.9 79.7