==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-12 4GSR . COMPND 2 MOLECULE: PROBABLE CONSERVED LIPOPROTEIN LPPS; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.S.KIM,J.KIM,H.N.IM,J.Y.YOON,D.R.AN,H.J.YOON,J.Y.KIM,H.K.MI . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 25.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 30 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.6 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+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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 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 PARALLEL BRIDGES PER LADDER . 2 1 0 3 1 4 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 . 0 0 3 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 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 S 0 0 132 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.2 -46.4 -35.1 35.0 2 147 A S >> - 0 0 53 1,-0.1 4,-2.2 5,-0.0 3,-1.6 -0.827 360.0-148.0 -95.9 123.7 -45.5 -38.7 33.9 3 148 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 27,-0.0 0.798 101.3 53.7 -59.5 -29.1 -42.6 -39.1 31.5 4 149 A A T 34 S+ 0 0 55 1,-0.1 3,-0.1 27,-0.1 27,-0.0 0.672 119.7 32.2 -74.6 -17.5 -44.4 -42.1 30.0 5 150 A H T <4 S+ 0 0 102 -3,-1.6 88,-2.4 1,-0.2 2,-0.4 0.557 115.5 45.5-123.5 -14.0 -47.6 -40.1 29.4 6 151 A L E < -a 93 0A 62 -4,-2.2 2,-0.4 86,-0.2 -1,-0.2 -1.000 58.2-177.2-134.6 137.6 -46.8 -36.5 28.6 7 152 A T E -a 94 0A 0 86,-2.1 88,-2.9 -2,-0.4 89,-0.4 -0.995 14.9-145.8-136.8 141.6 -44.1 -35.1 26.3 8 153 A M - 0 0 37 -2,-0.4 22,-1.4 86,-0.2 2,-0.2 -0.888 15.9-139.7-103.8 132.1 -43.0 -31.5 25.5 9 154 A P E -D 29 0B 1 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.619 12.6-165.7 -86.3 151.3 -41.8 -30.5 22.0 10 155 A Y E -D 28 0B 130 18,-2.0 18,-3.1 -2,-0.2 2,-0.4 -0.997 8.7-155.3-134.9 131.7 -38.8 -28.2 21.4 11 156 A V E -D 27 0B 22 -2,-0.4 16,-0.2 16,-0.2 4,-0.1 -0.897 10.5-132.8-115.2 138.3 -38.2 -26.6 18.0 12 157 A M E S+D 26 0B 103 14,-2.6 14,-3.0 -2,-0.4 2,-0.2 -0.962 77.2 53.1-130.4 152.2 -35.0 -25.3 16.5 13 158 A P S S- 0 0 3 0, 0.0 3,-0.1 0, 0.0 13,-0.0 0.571 94.5-117.4 -61.7 158.7 -33.9 -22.9 15.0 14 159 A G > - 0 0 24 -2,-0.2 3,-1.8 1,-0.2 -2,-0.1 -0.148 40.0 -72.6 -67.2 162.5 -35.1 -20.5 17.6 15 160 A D T 3 S+ 0 0 119 1,-0.3 87,-0.2 84,-0.2 -1,-0.2 -0.338 117.7 9.2 -58.9 126.3 -37.6 -17.7 17.0 16 161 A G T 3 S+ 0 0 59 85,-3.6 -1,-0.3 1,-0.2 86,-0.2 0.471 91.8 144.6 83.3 4.5 -36.2 -14.9 14.9 17 162 A E < - 0 0 99 -3,-1.8 86,-2.0 84,-0.4 2,-0.5 -0.373 44.2-142.4 -74.5 151.6 -32.9 -16.6 14.0 18 163 A V E +g 103 0C 79 84,-0.2 2,-0.2 -2,-0.1 86,-0.2 -0.985 32.3 177.3-111.3 120.1 -31.1 -16.2 10.7 19 164 A V E -g 104 0C 1 84,-2.4 86,-3.0 -2,-0.5 208,-0.2 -0.761 27.2 -92.8-125.0 167.2 -29.6 -19.5 9.6 20 165 A G > - 0 0 0 206,-3.0 3,-1.7 -2,-0.2 208,-0.2 -0.160 42.0 -98.2 -76.7 173.6 -27.7 -21.0 6.7 21 166 A V T 3 S+ 0 0 0 85,-0.4 50,-2.4 1,-0.3 207,-0.2 0.587 119.2 56.8 -73.6 -8.6 -29.0 -22.8 3.7 22 167 A G T 3 S+ 0 0 0 205,-2.7 -1,-0.3 48,-0.2 205,-0.2 0.360 76.3 121.3 -98.6 4.1 -28.3 -26.2 5.2 23 168 A E < - 0 0 14 -3,-1.7 2,-0.1 204,-0.3 -4,-0.1 -0.544 46.1-160.4 -75.9 116.4 -30.4 -25.7 8.4 24 169 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 42,-0.2 -0.513 28.0-105.6 -82.3 161.4 -33.1 -28.3 8.8 25 170 A V E - E 0 65B 0 40,-2.9 40,-2.2 -2,-0.1 2,-0.5 -0.735 39.7-158.9 -76.3 134.8 -36.1 -27.7 11.0 26 171 A A E -DE 12 64B 12 -14,-3.0 -14,-2.6 -2,-0.4 2,-0.5 -0.986 14.6-174.0-121.0 125.7 -35.6 -29.8 14.1 27 172 A I E -DE 11 63B 0 36,-2.8 36,-2.5 -2,-0.5 2,-0.5 -0.975 12.3-173.5-117.7 115.5 -38.5 -30.9 16.4 28 173 A R E -DE 10 62B 146 -18,-3.1 -18,-2.0 -2,-0.5 2,-0.3 -0.918 8.3-157.3-115.0 129.4 -37.2 -32.7 19.5 29 174 A F E -D 9 0B 2 32,-2.9 4,-0.1 -2,-0.5 -22,-0.0 -0.762 21.0-133.0-101.9 152.8 -39.4 -34.3 22.1 30 175 A D S S+ 0 0 52 -22,-1.4 2,-0.3 -2,-0.3 -1,-0.1 0.459 91.1 42.4 -87.1 2.2 -38.3 -35.0 25.6 31 176 A E S S- 0 0 49 -23,-0.2 -2,-0.1 30,-0.1 2,-0.1 -0.964 100.1 -83.2-138.2 159.7 -39.7 -38.5 25.4 32 177 A N - 0 0 75 -2,-0.3 2,-0.7 1,-0.1 29,-0.2 -0.352 40.4-135.6 -60.2 134.5 -39.7 -41.4 22.8 33 178 A I - 0 0 8 27,-2.6 3,-0.3 1,-0.2 56,-0.1 -0.845 20.7-177.2-100.4 112.7 -42.4 -41.0 20.2 34 179 A A S S+ 0 0 56 -2,-0.7 2,-0.7 54,-0.5 55,-0.2 0.837 80.5 47.7 -75.6 -35.2 -44.2 -44.3 19.5 35 180 A D > + 0 0 75 53,-2.6 4,-1.7 1,-0.2 3,-0.3 -0.760 62.7 171.2-111.9 84.5 -46.5 -42.9 16.7 36 181 A R H > S+ 0 0 33 -2,-0.7 4,-2.6 225,-0.5 5,-0.2 0.844 77.9 58.1 -62.0 -35.0 -44.2 -40.9 14.4 37 182 A G H > S+ 0 0 21 224,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.888 104.5 50.6 -63.1 -41.1 -46.9 -40.5 11.9 38 183 A A H > S+ 0 0 20 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.914 110.8 49.6 -60.0 -44.8 -49.1 -38.7 14.5 39 184 A A H < S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 3,-0.4 0.934 111.3 48.6 -62.0 -46.2 -46.2 -36.4 15.4 40 185 A E H >< S+ 0 0 39 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.902 109.1 52.8 -61.2 -41.8 -45.6 -35.5 11.7 41 186 A K H 3< S+ 0 0 188 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 105.7 56.0 -64.1 -27.2 -49.3 -34.8 11.1 42 187 A A T 3< S+ 0 0 13 -4,-1.4 40,-2.7 -3,-0.4 2,-0.5 0.544 93.8 81.8 -82.2 -8.5 -49.3 -32.4 14.1 43 188 A I E < -H 81 0C 12 -3,-1.3 2,-0.5 -4,-0.5 38,-0.2 -0.888 59.1-169.8-107.5 121.9 -46.5 -30.3 12.6 44 189 A K E -H 80 0C 126 36,-2.9 36,-2.8 -2,-0.5 2,-0.5 -0.943 2.2-171.3-114.2 119.2 -47.3 -27.7 10.0 45 190 A I E -H 79 0C 28 -2,-0.5 2,-0.4 34,-0.2 34,-0.2 -0.954 0.9-169.1-116.0 122.3 -44.4 -26.0 8.2 46 191 A T E -H 78 0C 72 32,-2.7 32,-2.8 -2,-0.5 2,-0.3 -0.926 5.1-168.2-112.1 134.6 -45.0 -23.0 5.9 47 192 A T E -H 77 0C 16 -2,-0.4 30,-0.2 30,-0.2 28,-0.0 -0.937 13.9-135.6-126.2 144.9 -42.3 -21.7 3.6 48 193 A N E S+H 76 0C 110 28,-1.9 28,-2.9 -2,-0.3 -2,-0.0 -0.903 105.3 32.7-144.6 110.8 -42.1 -18.5 1.6 49 194 A P S S- 0 0 78 0, 0.0 -1,-0.3 0, 0.0 23,-0.1 0.486 118.5-118.1 -60.4 143.8 -41.1 -18.9 -1.2 50 195 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.345 40.9 175.1 -65.1 137.5 -42.9 -22.2 -1.0 51 196 A V - 0 0 62 -2,-0.1 2,-0.1 -3,-0.0 -4,-0.1 -0.996 32.3-110.9-141.8 142.7 -40.8 -25.3 -1.3 52 197 A E + 0 0 127 -2,-0.3 16,-0.5 2,-0.0 2,-0.3 -0.465 45.0 163.8 -66.9 140.1 -41.5 -29.0 -0.9 53 198 A G E -F 67 0B 19 14,-0.2 2,-0.3 -2,-0.1 -8,-0.1 -0.943 19.0-151.1-149.4 176.3 -39.9 -30.7 2.1 54 199 A A E -F 66 0B 16 12,-1.9 12,-1.6 -2,-0.3 2,-0.3 -0.980 18.0-109.9-150.4 158.2 -40.2 -33.9 4.2 55 200 A F E +F 65 0B 26 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.704 28.1 175.1 -90.5 142.5 -39.7 -35.4 7.7 56 201 A Y E -F 64 0B 24 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.980 24.5-132.6-146.1 132.6 -37.0 -37.8 8.7 57 202 A W E -F 63 0B 2 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.728 14.2-172.6 -89.0 128.1 -36.3 -39.1 12.2 58 203 A L S S- 0 0 19 4,-2.2 2,-0.2 -2,-0.4 -1,-0.1 0.701 75.2 -18.1 -86.1 -25.4 -32.7 -39.2 13.5 59 204 A N S S- 0 0 78 3,-1.1 3,-0.3 0, 0.0 -1,-0.2 -0.897 90.0 -69.3-163.0-175.3 -33.6 -41.1 16.6 60 205 A N S S+ 0 0 82 -2,-0.2 -27,-2.6 1,-0.2 3,-0.1 0.598 128.7 32.5 -66.0 -11.4 -36.7 -41.9 18.8 61 206 A R S S+ 0 0 107 -29,-0.2 -32,-2.9 1,-0.2 2,-0.5 0.591 107.5 66.3-119.9 -18.2 -37.1 -38.3 19.9 62 207 A E E -E 28 0B 10 -3,-0.3 -4,-2.2 -34,-0.2 -3,-1.1 -0.947 50.5-175.5-123.7 124.2 -36.0 -36.0 17.1 63 208 A V E -EF 27 57B 0 -36,-2.5 -36,-2.8 -2,-0.5 2,-0.3 -0.890 10.5-155.9-111.3 144.6 -37.5 -35.4 13.7 64 209 A R E -EF 26 56B 9 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.4 -0.884 3.6-163.2-117.6 148.9 -36.0 -33.2 11.0 65 210 A W E +EF 25 55B 21 -40,-2.2 -40,-2.9 -2,-0.3 -10,-0.2 -1.000 23.2 145.6-132.2 133.3 -37.7 -31.5 8.1 66 211 A R E - F 0 54B 3 -12,-1.6 -12,-1.9 -2,-0.4 4,-0.1 -0.982 41.8-105.5-155.8 160.5 -35.9 -30.1 5.1 67 212 A P E - F 0 53B 2 0, 0.0 -14,-0.2 0, 0.0 4,-0.1 -0.242 39.5-103.2 -78.7 178.0 -36.2 -29.5 1.3 68 213 A E S S+ 0 0 87 -16,-0.5 2,-0.2 2,-0.1 185,-0.1 0.886 104.4 31.4 -68.4 -43.4 -34.5 -31.6 -1.4 69 214 A H S S- 0 0 134 1,-0.2 3,-0.1 184,-0.0 180,-0.0 -0.703 107.5 -73.1-109.5 166.4 -31.9 -28.9 -2.1 70 215 A F - 0 0 43 -2,-0.2 -48,-0.2 1,-0.1 -1,-0.2 -0.194 65.3 -90.7 -51.8 147.8 -30.3 -26.3 0.1 71 216 A W - 0 0 5 -50,-2.4 -1,-0.1 -51,-0.1 -50,-0.1 -0.237 37.5-111.9 -57.7 152.0 -32.7 -23.5 1.0 72 217 A K > - 0 0 152 -23,-0.1 3,-1.9 -3,-0.1 32,-0.2 -0.742 41.3-102.5 -82.8 128.8 -32.8 -20.3 -1.1 73 218 A P T 3 S+ 0 0 54 0, 0.0 32,-0.2 0, 0.0 33,-0.1 -0.211 107.5 29.8 -49.4 139.2 -31.5 -17.3 0.7 74 219 A G T 3 S+ 0 0 58 30,-2.9 31,-0.1 1,-0.3 2,-0.1 0.292 82.6 146.4 91.8 -8.3 -34.2 -15.0 2.1 75 220 A T < - 0 0 4 -3,-1.9 29,-2.4 30,-0.2 2,-0.4 -0.384 39.7-144.2 -62.6 136.0 -36.7 -17.9 2.6 76 221 A A E -HI 48 103C 21 -28,-2.9 -28,-1.9 27,-0.2 2,-0.4 -0.883 14.3-163.1-102.9 135.0 -39.0 -17.4 5.6 77 222 A V E -HI 47 102C 0 25,-3.2 25,-2.4 -2,-0.4 2,-0.4 -0.974 8.2-171.3-125.3 129.0 -40.0 -20.5 7.6 78 223 A D E -HI 46 101C 70 -32,-2.8 -32,-2.7 -2,-0.4 2,-0.5 -0.976 6.9-166.2-119.2 129.1 -42.9 -20.8 10.0 79 224 A V E -HI 45 100C 2 21,-2.8 21,-1.9 -2,-0.4 2,-0.6 -0.972 6.1-173.7-122.4 123.0 -43.2 -23.9 12.1 80 225 A A E -HI 44 99C 9 -36,-2.8 -36,-2.9 -2,-0.5 2,-1.0 -0.951 4.9-168.7-118.0 108.3 -46.4 -24.8 14.1 81 226 A V E -HI 43 98C 0 17,-3.0 17,-1.9 -2,-0.6 2,-1.1 -0.847 7.4-177.3 -97.0 99.0 -46.0 -27.8 16.3 82 227 A N + 0 0 69 -40,-2.7 15,-0.2 -2,-1.0 12,-0.1 -0.480 34.0 130.6 -99.3 60.8 -49.7 -28.4 17.2 83 228 A T > + 0 0 0 -2,-1.1 3,-2.7 13,-0.4 11,-0.6 0.521 21.0 131.1 -95.0 -9.1 -49.1 -31.3 19.6 84 229 A Y B 3 S-b 94 0A 157 1,-0.3 11,-0.2 -3,-0.3 3,-0.1 -0.260 90.9 -8.0 -54.1 119.5 -51.2 -30.1 22.6 85 230 A G T 3 S+ 0 0 48 9,-3.0 2,-0.4 1,-0.2 -1,-0.3 0.564 99.3 142.4 68.2 10.8 -53.4 -33.0 23.7 86 231 A V < - 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