==== 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 3VYN . 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 . 696 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 72 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 5 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 . 5 3 6 7 1 9 3 1 1 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 8 6 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 60 A P 0 0 42 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 144.6 25.9 -29.6 85.0 2 61 A K - 0 0 131 25,-0.0 23,-2.7 76,-0.0 2,-0.4 -0.892 360.0-158.4-114.0 137.9 25.5 -26.4 83.0 3 62 A L E -A 24 0A 37 -2,-0.4 2,-0.4 21,-0.2 21,-0.2 -0.888 7.4-173.4-113.1 140.7 22.7 -25.3 80.6 4 63 A T E -A 23 0A 44 19,-2.1 19,-3.1 -2,-0.4 2,-0.2 -0.955 2.3-168.8-140.7 120.1 22.9 -22.7 77.9 5 64 A A E -A 22 0A 22 -2,-0.4 17,-0.2 17,-0.3 689,-0.1 -0.642 30.0-129.9-100.8 159.4 20.0 -21.4 75.7 6 65 A S S S+ 0 0 14 15,-2.1 2,-0.3 -2,-0.2 16,-0.1 0.329 95.9 57.1 -89.2 9.8 20.4 -19.3 72.6 7 66 A V S S- 0 0 13 14,-0.3 2,-0.3 683,-0.1 -2,-0.2 -0.982 82.4-125.4-138.9 147.1 17.9 -17.0 74.2 8 67 A T > - 0 0 51 -2,-0.3 3,-2.1 1,-0.1 74,-0.1 -0.758 32.6-109.0 -95.6 143.2 17.8 -15.1 77.5 9 68 A D T 3 S+ 0 0 81 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.838 108.8 24.7 -31.8 -89.8 14.8 -15.5 79.9 10 69 A G T 3 S+ 0 0 62 74,-0.1 -1,-0.3 72,-0.1 74,-0.1 0.121 90.5 149.5 -75.2 29.5 12.9 -12.3 79.7 11 70 A A < - 0 0 21 -3,-2.1 74,-2.0 -2,-0.6 2,-0.4 -0.216 29.3-161.7 -65.7 152.0 14.1 -11.3 76.3 12 71 A V E +d 85 0B 111 72,-0.2 74,-0.2 1,-0.1 75,-0.1 -0.997 68.1 33.3-132.7 133.2 12.0 -9.2 73.9 13 72 A G E + 0 0 39 72,-2.1 2,-0.7 -2,-0.4 73,-0.2 0.747 63.1 177.3 95.3 25.4 12.7 -9.0 70.1 14 73 A V E -d 86 0B 29 71,-1.7 73,-1.7 1,-0.2 -1,-0.2 -0.526 28.0-139.0 -66.0 108.0 14.0 -12.5 69.4 15 74 A T - 0 0 70 -2,-0.7 -1,-0.2 71,-0.2 71,-0.0 0.732 11.1-150.7 -38.1 -48.5 14.4 -12.3 65.6 16 75 A V + 0 0 7 2,-0.2 43,-0.3 3,-0.1 -1,-0.1 0.532 66.2 111.0 80.1 9.8 13.1 -15.7 64.6 17 76 A D S S+ 0 0 88 154,-0.4 153,-0.1 2,-0.1 155,-0.1 0.620 82.1 41.0 -85.5 -13.9 15.3 -16.0 61.5 18 77 A A S S- 0 0 53 153,-0.1 -2,-0.2 1,-0.0 41,-0.1 -0.874 94.7-101.3-127.7 161.8 17.2 -18.8 63.4 19 78 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.279 33.3-109.7 -79.5 168.9 16.1 -21.6 65.6 20 79 A V - 0 0 3 -4,-0.1 35,-1.7 -2,-0.0 2,-0.3 -0.851 40.0-177.1-102.1 132.1 16.2 -21.7 69.4 21 80 A S E - B 0 54A 28 -2,-0.4 -15,-2.1 33,-0.2 2,-0.4 -0.847 20.6-159.9-130.8 166.4 18.7 -24.1 71.1 22 81 A V E -AB 5 53A 4 31,-2.0 31,-1.8 -2,-0.3 2,-0.4 -0.988 12.0-161.8-144.4 130.2 19.9 -25.3 74.4 23 82 A T E -AB 4 52A 32 -19,-3.1 -19,-2.1 -2,-0.4 2,-0.3 -0.923 9.8-142.5-118.4 141.5 23.2 -27.0 75.2 24 83 A A E -A 3 0A 4 27,-2.6 -21,-0.2 -2,-0.4 5,-0.1 -0.773 15.4-172.8 -98.7 145.7 24.2 -29.1 78.2 25 84 A A S S+ 0 0 52 -23,-2.7 2,-1.6 -2,-0.3 -1,-0.2 0.750 73.2 11.7-101.8 -92.4 27.7 -28.7 79.6 26 85 A D S S+ 0 0 123 2,-0.1 49,-0.4 45,-0.0 2,-0.3 -0.314 132.6 19.0 -88.7 55.9 28.9 -31.1 82.3 27 86 A G S S- 0 0 17 -2,-1.6 2,-0.3 46,-0.2 46,-0.2 -0.972 89.1 -76.4 173.1-166.3 26.0 -33.4 81.8 28 87 A V - 0 0 67 44,-0.5 44,-1.7 -2,-0.3 2,-0.7 -0.791 38.3-106.4-121.5 159.3 23.3 -34.4 79.4 29 88 A L E +E 71 0B 5 21,-2.7 42,-0.2 -2,-0.3 3,-0.1 -0.786 34.2 175.5 -88.5 115.1 19.9 -32.9 78.4 30 89 A A E + 0 0 52 40,-2.5 2,-0.3 -2,-0.7 41,-0.2 0.738 64.7 4.4 -92.5 -25.6 17.1 -34.9 80.0 31 90 A A E +E 70 0B 50 39,-1.2 39,-1.9 2,-0.0 2,-0.4 -0.899 54.3 175.7-165.2 133.7 14.1 -32.8 78.9 32 91 A V E +E 69 0B 23 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.967 8.1 169.1-142.3 121.9 13.3 -29.8 76.8 33 92 A T E -E 68 0B 78 35,-1.9 35,-1.7 -2,-0.4 2,-0.4 -0.996 10.1-170.7-137.5 132.6 9.9 -28.4 76.0 34 93 A M E -E 67 0B 5 -2,-0.4 8,-2.6 33,-0.2 9,-0.4 -0.945 10.3-177.5-119.8 141.6 9.0 -25.1 74.4 35 94 A V E -EF 66 41B 40 31,-0.9 31,-1.5 -2,-0.4 2,-0.1 -0.995 20.3-126.4-140.9 145.1 5.4 -23.8 74.2 36 95 A N > - 0 0 23 4,-2.2 3,-2.0 -2,-0.3 29,-0.2 -0.361 41.9 -90.4 -85.2 169.6 3.7 -20.8 72.7 37 96 A D T 3 S+ 0 0 72 27,-0.4 28,-0.1 1,-0.3 -1,-0.1 0.817 126.4 51.5 -48.8 -40.1 1.4 -18.3 74.5 38 97 A N T 3 S- 0 0 90 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.037 123.5-101.5 -92.3 32.7 -1.7 -20.3 73.8 39 98 A G S < S+ 0 0 49 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.0 0.326 71.2 138.1 76.0 -1.6 -0.2 -23.5 75.1 40 99 A R - 0 0 176 1,-0.1 -4,-2.2 -5,-0.0 2,-0.3 -0.534 54.7-113.3 -84.0 144.9 1.0 -25.6 72.1 41 100 A P B -F 35 0B 100 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.572 19.2-144.9 -74.6 132.5 4.3 -27.5 72.0 42 101 A V - 0 0 5 -8,-2.6 15,-0.3 -2,-0.3 14,-0.2 0.650 29.0-130.9 -76.0 -19.6 6.8 -26.1 69.5 43 102 A A + 0 0 52 -9,-0.4 13,-2.1 12,-0.1 14,-0.8 0.630 36.3 159.0 73.9 127.6 8.6 -29.3 68.3 44 103 A G E -C 55 0A 28 11,-0.3 2,-0.4 12,-0.2 11,-0.3 -0.971 32.3-106.3-168.3 172.9 12.3 -29.8 68.2 45 104 A R E -C 54 0A 182 9,-2.7 9,-2.4 -2,-0.3 2,-0.5 -0.889 13.2-147.5-120.0 147.4 15.1 -32.3 68.1 46 105 A L E -C 53 0A 72 -2,-0.4 7,-0.3 7,-0.2 4,-0.0 -0.947 32.2-114.3-110.4 125.0 17.7 -33.4 70.6 47 106 A S > - 0 0 35 5,-4.4 3,-2.2 -2,-0.5 5,-0.1 -0.163 27.3-109.1 -58.4 153.0 21.1 -34.5 69.3 48 107 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.798 120.5 51.8 -52.3 -38.4 22.1 -38.2 69.6 49 108 A D T 3 S- 0 0 103 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.506 110.7-126.9 -79.4 -0.9 24.8 -37.4 72.2 50 109 A G S < S+ 0 0 9 -3,-2.2 -21,-2.7 2,-0.2 3,-0.1 0.696 80.4 111.5 65.9 21.3 22.1 -35.5 74.1 51 110 A L S S+ 0 0 61 1,-0.2 -27,-2.6 -23,-0.2 2,-0.4 0.720 72.4 39.7 -96.3 -24.0 24.1 -32.3 74.4 52 111 A R E -B 23 0A 143 -29,-0.2 -5,-4.4 -23,-0.1 2,-0.4 -0.986 55.2-178.7-136.5 141.1 22.1 -30.1 72.0 53 112 A W E +BC 22 46A 16 -31,-1.8 -31,-2.0 -2,-0.4 2,-0.3 -0.979 9.6 175.1-132.2 141.2 18.4 -29.5 71.3 54 113 A S E -BC 21 45A 42 -9,-2.4 -9,-2.7 -2,-0.4 -33,-0.2 -0.996 37.6 -95.5-150.0 152.1 16.9 -27.1 68.8 55 114 A T E - C 0 44A 9 -35,-1.7 -11,-0.3 -2,-0.3 -12,-0.1 -0.360 28.8-161.0 -63.3 145.8 13.5 -26.2 67.4 56 115 A T + 0 0 81 -13,-2.1 2,-0.2 -14,-0.2 -12,-0.2 0.562 64.5 53.6-107.9 -12.8 12.7 -28.1 64.2 57 116 A E S S- 0 0 106 -14,-0.8 2,-0.3 -15,-0.3 -2,-0.0 -0.710 97.2 -76.4-118.2 172.7 9.9 -25.9 62.8 58 117 A Q - 0 0 107 -2,-0.2 2,-0.1 -39,-0.1 -2,-0.1 -0.512 44.3-141.9 -72.2 127.4 9.5 -22.3 61.9 59 118 A L - 0 0 9 -2,-0.3 2,-0.3 -43,-0.3 -1,-0.0 -0.448 21.0-122.7 -83.3 160.3 8.9 -20.0 64.8 60 119 A G - 0 0 19 -2,-0.1 3,-0.5 1,-0.1 26,-0.2 -0.770 9.6-112.0-115.2 157.0 6.4 -17.2 64.6 61 120 A Y S S+ 0 0 31 -2,-0.3 27,-0.2 1,-0.2 26,-0.1 -0.252 99.3 26.6 -68.8 167.1 6.3 -13.4 65.0 62 121 A N S S+ 0 0 116 25,-2.4 2,-0.4 24,-0.2 -1,-0.2 0.852 93.6 138.8 43.0 46.5 4.3 -11.9 67.9 63 122 A R - 0 0 54 -3,-0.5 23,-2.5 24,-0.2 2,-0.6 -0.908 46.8-151.7-121.7 145.0 4.7 -15.0 69.9 64 123 A R E - G 0 85B 111 -2,-0.4 -27,-0.4 21,-0.2 2,-0.3 -0.953 25.3-179.9-117.2 109.0 5.5 -15.5 73.6 65 124 A Y E - G 0 84B 10 19,-2.2 19,-2.3 -2,-0.6 2,-0.4 -0.725 15.8-156.3-108.6 159.2 7.4 -18.8 74.2 66 125 A T E -EG 35 83B 26 -31,-1.5 -31,-0.9 17,-0.3 2,-0.4 -0.966 8.1-151.5-141.3 121.4 8.6 -20.4 77.4 67 126 A L E -EG 34 82B 2 15,-3.6 15,-2.4 -2,-0.4 2,-0.5 -0.727 9.1-173.5 -93.3 137.3 11.5 -22.9 77.6 68 127 A N E +EG 33 81B 63 -35,-1.7 -35,-1.9 -2,-0.4 2,-0.4 -0.961 17.3 164.7-131.0 110.2 11.8 -25.6 80.3 69 128 A A E -EG 32 80B 5 11,-2.0 11,-2.4 -2,-0.5 2,-0.4 -0.970 16.6-169.9-130.7 144.8 15.0 -27.5 80.2 70 129 A T E -EG 31 79B 43 -39,-1.9 -40,-2.5 -2,-0.4 -39,-1.2 -0.995 1.5-168.9-136.0 129.3 16.7 -29.8 82.7 71 130 A A E -EG 29 78B 0 7,-2.8 7,-2.5 -2,-0.4 2,-0.5 -0.960 4.4-167.4-115.6 134.0 20.3 -31.2 82.5 72 131 A L E - G 0 77B 94 -44,-1.7 -44,-0.5 -2,-0.4 5,-0.2 -0.880 8.6-176.1-128.2 104.3 21.3 -33.9 84.8 73 132 A G - 0 0 16 3,-1.2 -46,-0.2 -2,-0.5 -47,-0.0 -0.310 47.4 -94.1 -88.7 175.6 25.0 -34.8 85.1 74 133 A L S S+ 0 0 184 1,-0.2 -47,-0.1 -48,-0.2 -1,-0.1 0.837 127.6 50.9 -56.2 -31.7 26.8 -37.5 87.0 75 134 A G S S- 0 0 77 -49,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.998 123.7 -61.1 -69.4 -70.9 27.2 -34.8 89.7 76 135 A G - 0 0 36 -5,-0.0 -3,-1.2 2,-0.0 2,-0.3 -0.620 57.4 -68.5-151.6-148.5 23.7 -33.5 90.0 77 136 A A E - G 0 72B 82 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.908 30.4-172.0-125.1 152.6 20.7 -31.8 88.3 78 137 A A E - G 0 71B 16 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.3 -0.997 5.6-178.1-144.2 139.6 20.1 -28.4 86.9 79 138 A T E - G 0 70B 86 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.999 2.4-176.1-144.9 141.3 16.9 -26.8 85.5 80 139 A R E - G 0 69B 161 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.4 -0.949 11.5-157.7-136.5 153.9 15.9 -23.5 84.0 81 140 A Q E + G 0 68B 125 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.998 16.8 174.7-132.2 127.7 12.8 -21.7 82.8 82 141 A L E - G 0 67B 24 -15,-2.4 -15,-3.6 -2,-0.4 2,-0.4 -0.996 11.3-168.4-135.1 139.3 12.9 -18.9 80.3 83 142 A T E + G 0 66B 39 -2,-0.4 -17,-0.3 -17,-0.3 2,-0.3 -0.991 17.1 171.1-129.3 125.1 10.0 -17.1 78.6 84 143 A F E - G 0 65B 3 -19,-2.3 -19,-2.2 -2,-0.4 2,-0.4 -0.828 26.6-129.3-131.0 170.8 10.7 -14.7 75.7 85 144 A Q E -dG 12 64B 100 -74,-2.0 -72,-2.1 -2,-0.3 -71,-1.7 -0.976 20.7-139.9-125.5 125.0 8.9 -12.7 73.0 86 145 A T E -d 14 0B 8 -23,-2.5 -24,-0.2 -2,-0.4 -71,-0.2 -0.270 42.1 -69.6 -77.9 164.6 9.6 -12.8 69.3 87 146 A S - 0 0 14 -73,-1.7 -25,-2.4 -26,-0.1 -24,-0.2 -0.160 38.1-154.5 -51.8 140.6 9.7 -9.8 66.9 88 147 A S - 0 0 71 -27,-0.2 -1,-0.1 -26,-0.1 -27,-0.0 -0.830 20.2-145.8-120.3 89.5 6.3 -8.3 66.2 89 148 A P - 0 0 25 0, 0.0 89,-0.2 0, 0.0 3,-0.1 -0.148 12.8-143.2 -56.4 148.7 6.8 -6.6 62.7 90 149 A A S S+ 0 0 86 87,-1.8 2,-0.3 1,-0.3 88,-0.2 0.809 87.0 1.3 -78.5 -32.4 5.0 -3.4 61.9 91 150 A H E -h 178 0C 102 86,-2.0 88,-2.5 2,-0.0 2,-0.4 -0.961 69.7-131.7-150.7 162.7 4.5 -4.7 58.4 92 151 A L E -h 179 0C 65 -2,-0.3 2,-0.4 86,-0.2 88,-0.2 -0.964 15.1-165.5-124.2 138.3 5.3 -7.8 56.2 93 152 A T E -h 180 0C 0 86,-2.2 88,-2.9 -2,-0.4 89,-0.4 -0.976 7.3-151.4-127.9 137.0 6.9 -8.0 52.8 94 153 A M - 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