==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 05-FEB-01 1I24 . COMPND 2 MOLECULE: SULFOLIPID BIOSYNTHESIS PROTEIN SQD1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.J.THEISEN,S.L.SANDA,S.L.GINELL,C.BENNING,R.M.GARAVITO . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.1 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 . 1 0.3 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 . 37 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 0 0 0 0 1 0 2 2 3 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 4 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 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 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 2 A S 0 0 82 0, 0.0 25,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 139.5 48.9 73.6 32.3 2 3 A R E -a 26 0A 84 23,-0.2 89,-2.8 87,-0.2 90,-1.7 -0.805 360.0-174.8-102.7 126.1 51.3 74.4 35.1 3 4 A V E -ab 27 92A 0 23,-3.2 25,-2.0 -2,-0.5 2,-0.6 -0.967 15.0-155.8-125.5 126.0 54.0 77.1 34.7 4 5 A M E -ab 28 93A 0 88,-2.5 90,-2.9 -2,-0.5 2,-0.8 -0.890 11.7-159.3 -96.3 118.5 56.8 78.0 37.1 5 6 A V E > -ab 29 94A 0 23,-2.8 25,-2.1 -2,-0.6 3,-1.3 -0.853 4.7-161.5-102.6 98.0 57.9 81.6 36.5 6 7 A I E 3 S+ab 30 95A 3 88,-2.5 90,-2.5 -2,-0.8 91,-0.2 -0.693 82.9 22.4 -78.6 132.5 61.4 82.0 37.9 7 8 A G T > S+ 0 0 8 23,-3.1 3,-2.1 -2,-0.4 6,-0.4 0.642 80.5 151.5 82.9 18.3 62.1 85.7 38.4 8 9 A G T < + 0 0 0 -3,-1.3 9,-0.2 22,-0.5 23,-0.1 0.449 62.0 62.3 -64.7 -5.5 58.4 86.5 38.5 9 10 A D T 3 S+ 0 0 4 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.548 92.5 90.7 -91.2 -7.8 58.7 89.6 40.7 10 11 A G S <> S- 0 0 17 -3,-2.1 4,-2.7 217,-0.1 5,-0.4 -0.035 94.9 -88.7 -82.1-177.4 60.8 91.3 38.0 11 12 A Y H > S+ 0 0 24 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.959 124.4 25.2 -58.5 -59.5 59.9 93.6 35.0 12 13 A C H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.899 123.8 54.2 -73.9 -35.8 59.3 90.9 32.4 13 14 A G H > S+ 0 0 1 -6,-0.4 4,-2.8 2,-0.2 -5,-0.2 0.855 105.1 49.5 -69.4 -39.9 58.4 88.2 34.8 14 15 A W H X S+ 0 0 0 -4,-2.7 4,-2.2 -7,-0.3 5,-0.2 0.941 113.2 46.9 -66.9 -45.7 55.6 89.9 36.8 15 16 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.4 -2,-0.2 0.925 115.4 47.9 -59.7 -42.2 53.8 91.0 33.5 16 17 A T H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.916 108.2 53.2 -67.1 -42.1 54.3 87.4 32.2 17 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.929 111.7 45.4 -60.5 -45.8 53.0 85.7 35.4 18 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.904 112.6 51.2 -65.4 -41.1 49.8 87.7 35.4 19 20 A H H X S+ 0 0 25 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.929 111.4 46.7 -62.3 -45.5 49.2 87.2 31.7 20 21 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 -1,-0.2 0.904 112.1 50.8 -64.1 -40.4 49.7 83.4 32.0 21 22 A S H ><5S+ 0 0 5 -4,-2.3 3,-1.9 -5,-0.3 -2,-0.2 0.939 109.7 50.0 -62.6 -43.7 47.4 83.3 35.0 22 23 A K H 3<5S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.895 106.3 57.3 -59.7 -38.2 44.7 85.3 33.1 23 24 A K T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.275 124.9-104.2 -78.6 12.2 45.1 82.8 30.3 24 25 A N T < 5S+ 0 0 122 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.667 74.0 137.9 75.6 21.7 44.3 79.9 32.7 25 26 A Y < - 0 0 34 -5,-2.3 2,-0.6 -23,-0.0 -1,-0.3 -0.684 60.5-116.6 -85.2 151.3 47.6 78.4 33.3 26 27 A E E -a 2 0A 89 -25,-2.4 -23,-3.2 -2,-0.3 2,-0.4 -0.829 46.1-165.0 -85.7 126.0 48.3 77.4 37.0 27 28 A V E -a 3 0A 4 -2,-0.6 42,-1.9 40,-0.3 2,-0.3 -0.894 23.3-177.7-124.4 143.6 51.3 79.7 37.9 28 29 A C E -ac 4 69A 0 -25,-2.0 -23,-2.8 -2,-0.4 2,-0.4 -0.929 18.3-140.7-128.7 158.2 53.9 80.0 40.6 29 30 A I E -ac 5 70A 0 40,-2.5 42,-2.7 -2,-0.3 2,-0.5 -0.984 10.7-169.0-117.0 132.3 56.6 82.6 41.1 30 31 A V E +ac 6 71A 0 -25,-2.1 -23,-3.1 -2,-0.4 -22,-0.5 -0.990 30.1 138.4-119.1 118.3 60.1 81.6 42.3 31 32 A D E - c 0 72A 19 40,-1.9 42,-0.6 -2,-0.5 43,-0.1 -0.974 47.7-152.9-162.7 140.9 62.2 84.7 43.2 32 33 A N - 0 0 57 -2,-0.3 42,-0.1 40,-0.2 40,-0.1 0.483 41.9-129.3 -95.5 -0.7 64.6 85.7 45.9 33 34 A L >> + 0 0 39 40,-0.1 3,-1.1 1,-0.1 4,-1.1 0.632 62.2 140.9 63.2 20.6 63.7 89.4 45.5 34 35 A V H 3> + 0 0 35 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.814 60.7 68.7 -64.9 -28.5 67.4 90.3 45.2 35 36 A R H 3> S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.887 98.6 51.2 -56.7 -36.2 66.6 92.8 42.5 36 37 A R H <> S+ 0 0 54 -3,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.871 107.1 53.5 -68.5 -36.0 64.8 94.9 45.2 37 38 A L H X S+ 0 0 83 -4,-1.1 4,-3.1 1,-0.2 -2,-0.2 0.912 103.8 55.7 -64.2 -40.3 68.0 94.7 47.4 38 39 A F H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 6,-0.3 0.883 104.3 54.5 -62.0 -36.6 70.1 96.0 44.5 39 40 A D H X>S+ 0 0 17 -4,-1.5 5,-2.2 2,-0.2 4,-1.1 0.937 111.4 44.5 -60.1 -46.6 67.9 99.1 44.3 40 41 A H H ><5S+ 0 0 154 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.951 114.8 48.7 -62.3 -45.6 68.4 99.7 48.0 41 42 A Q H 3<5S+ 0 0 98 -4,-3.1 350,-0.4 1,-0.2 -2,-0.2 0.871 118.2 38.2 -64.1 -38.2 72.2 99.1 47.7 42 43 A L H 3<5S- 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.493 110.4-113.9 -92.5 -4.5 72.7 101.3 44.7 43 44 A G T <<5 + 0 0 45 -4,-1.1 2,-0.2 -3,-0.5 -3,-0.2 0.812 68.0 141.6 76.1 33.8 70.3 104.1 45.7 44 45 A L < - 0 0 13 -5,-2.2 2,-0.3 -6,-0.3 -1,-0.2 -0.658 28.6-173.4-107.6 160.9 67.9 103.4 42.8 45 46 A E - 0 0 58 -2,-0.2 186,-0.4 326,-0.1 326,-0.2 -0.985 27.9-108.1-155.6 143.6 64.2 103.5 42.5 46 47 A S - 0 0 6 -2,-0.3 184,-0.2 2,-0.2 4,-0.1 -0.295 24.4-129.5 -65.1 151.1 61.5 102.6 40.0 47 48 A L S S+ 0 0 1 182,-2.8 -1,-0.1 2,-0.1 322,-0.1 0.903 99.3 58.0 -66.4 -44.0 59.6 105.6 38.3 48 49 A T S S- 0 0 0 181,-0.3 2,-0.3 179,-0.1 181,-0.3 -0.680 94.4-121.2 -89.5 137.5 56.4 103.8 39.3 49 50 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 177,-0.1 -0.630 36.7-161.2 -75.4 136.9 55.7 103.0 42.9 50 51 A I - 0 0 44 -2,-0.3 2,-0.1 -4,-0.1 174,-0.1 -0.891 11.3-123.7-121.7 155.5 55.3 99.2 43.1 51 52 A A - 0 0 17 173,-0.4 173,-0.0 175,-0.3 2,-0.0 -0.435 38.9 -87.4 -86.5 166.5 53.7 96.9 45.8 52 53 A S > - 0 0 43 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.275 40.3-110.3 -66.6 160.1 55.4 94.0 47.6 53 54 A I H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 120.4 52.4 -63.1 -34.7 55.3 90.7 45.9 54 55 A H H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 111.6 44.2 -66.5 -42.7 52.9 89.5 48.6 55 56 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.856 111.4 55.2 -69.1 -35.5 50.5 92.4 48.2 56 57 A R H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.944 112.3 42.5 -58.4 -50.7 50.8 92.0 44.3 57 58 A I H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 11,-0.2 0.894 113.2 52.1 -66.8 -40.7 49.7 88.4 44.6 58 59 A S H X S+ 0 0 75 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.884 109.1 50.8 -63.7 -37.7 47.0 89.1 47.1 59 60 A R H X S+ 0 0 80 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.914 107.8 51.9 -67.7 -40.9 45.5 91.8 44.9 60 61 A W H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 6,-0.6 0.916 112.0 47.8 -60.1 -41.5 45.4 89.5 41.9 61 62 A K H X S+ 0 0 117 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 110.1 51.4 -65.4 -40.5 43.5 87.0 44.0 62 63 A A H < S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 117.5 39.5 -65.5 -37.7 41.1 89.7 45.3 63 64 A L H < S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.930 135.0 14.1 -77.0 -46.4 40.3 90.8 41.8 64 65 A T H < S- 0 0 53 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.595 89.3-122.9-109.1 -15.4 40.2 87.5 39.9 65 66 A G < + 0 0 56 -4,-2.1 2,-0.3 -5,-0.5 -4,-0.2 0.362 69.2 131.1 83.1 -6.0 40.0 84.8 42.5 66 67 A K - 0 0 60 -6,-0.6 2,-0.6 1,-0.0 -1,-0.3 -0.681 48.3-145.7 -86.9 136.7 43.2 83.2 41.0 67 68 A S - 0 0 61 -2,-0.3 2,-0.6 -3,-0.1 -40,-0.3 -0.893 6.2-162.4-104.7 117.1 46.0 82.2 43.3 68 69 A I - 0 0 6 -2,-0.6 -40,-0.2 -11,-0.2 2,-0.1 -0.880 24.8-132.2 -93.9 119.8 49.6 82.5 42.1 69 70 A E E -c 28 0A 54 -42,-1.9 -40,-2.5 -2,-0.6 2,-0.4 -0.461 19.1-147.2 -73.1 148.1 51.8 80.3 44.4 70 71 A L E -c 29 0A 48 -42,-0.2 2,-0.5 -2,-0.1 -40,-0.2 -0.982 18.9-179.2-126.5 128.5 55.0 81.9 45.8 71 72 A Y E -c 30 0A 43 -42,-2.7 -40,-1.9 -2,-0.4 2,-0.7 -0.985 14.3-159.9-124.0 115.7 58.4 80.3 46.6 72 73 A V E +c 31 0A 73 -2,-0.5 2,-0.3 -42,-0.2 -40,-0.2 -0.868 43.3 92.7-104.1 110.2 60.9 82.8 47.9 73 74 A G S S- 0 0 16 -2,-0.7 2,-0.5 -42,-0.6 -40,-0.1 -0.970 73.8 -80.8 179.9 171.6 64.5 81.6 47.6 74 75 A D > - 0 0 61 -2,-0.3 3,-2.2 -42,-0.1 7,-0.3 -0.785 25.8-146.6 -92.7 124.2 67.7 81.6 45.6 75 76 A I T 3 S+ 0 0 10 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.655 98.0 70.6 -69.0 -10.8 67.7 79.1 42.7 76 77 A C T 3 S+ 0 0 28 1,-0.1 2,-1.0 49,-0.1 -1,-0.3 0.628 83.9 79.2 -74.4 -12.8 71.5 78.7 43.3 77 78 A D S <> S- 0 0 81 -3,-2.2 4,-2.3 1,-0.2 3,-0.3 -0.832 71.8-166.5 -92.0 99.2 70.4 76.8 46.5 78 79 A F H > S+ 0 0 72 -2,-1.0 4,-3.2 1,-0.2 5,-0.3 0.846 81.4 59.9 -62.6 -33.3 69.4 73.5 45.0 79 80 A E H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 109.9 44.1 -59.0 -44.7 67.6 72.2 48.1 80 81 A F H > S+ 0 0 35 -3,-0.3 4,-2.2 -6,-0.2 -2,-0.2 0.931 115.3 47.5 -64.7 -46.3 65.2 75.2 47.8 81 82 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -7,-0.3 -2,-0.2 0.939 113.0 48.6 -63.9 -43.2 64.8 74.8 44.0 82 83 A A H X S+ 0 0 8 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.907 111.0 49.4 -63.1 -44.5 64.2 71.1 44.3 83 84 A E H X S+ 0 0 67 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.906 112.2 49.0 -62.5 -39.9 61.6 71.4 47.0 84 85 A S H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.906 111.9 48.5 -66.1 -40.9 59.8 74.1 45.0 85 86 A F H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.924 113.6 46.4 -65.0 -43.9 59.8 71.9 41.8 86 87 A K H < S+ 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.843 114.1 48.7 -69.4 -32.3 58.5 68.9 43.7 87 88 A S H < S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 123.2 29.9 -70.7 -46.8 55.8 71.0 45.4 88 89 A F H < S- 0 0 4 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.819 84.5-152.9 -86.5 -34.4 54.6 72.7 42.3 89 90 A E < - 0 0 137 -4,-2.8 -87,-0.2 -5,-0.3 -3,-0.1 0.975 20.4-154.7 58.9 63.9 55.2 70.1 39.5 90 91 A P - 0 0 13 0, 0.0 -87,-0.2 0, 0.0 3,-0.1 -0.363 25.7-162.7 -72.1 149.5 55.6 72.4 36.6 91 92 A D S S+ 0 0 79 -89,-2.8 47,-2.3 1,-0.3 2,-0.3 0.614 87.4 21.8 -95.8 -26.0 54.9 71.4 33.0 92 93 A S E -bd 3 138A 6 -90,-1.7 -88,-2.5 45,-0.2 2,-0.4 -0.990 67.4-157.0-139.9 146.9 56.9 74.5 31.8 93 94 A V E -bd 4 139A 0 45,-2.6 47,-3.3 -2,-0.3 2,-0.6 -0.998 4.8-161.0-123.5 125.8 59.5 76.6 33.5 94 95 A V E -bd 5 140A 0 -90,-2.9 -88,-2.5 -2,-0.4 2,-0.9 -0.960 13.1-152.3-107.6 119.7 60.1 80.2 32.3 95 96 A H E +bd 6 141A 1 45,-2.6 47,-1.8 -2,-0.6 -88,-0.1 -0.796 43.1 138.3-104.0 96.0 63.5 81.4 33.4 96 97 A F + 0 0 30 -90,-2.5 2,-2.0 -2,-0.9 -89,-0.2 0.296 40.2 114.3-104.4 1.3 63.7 85.2 33.9 97 98 A G + 0 0 19 -91,-0.2 2,-0.3 -3,-0.1 -90,-0.2 -0.364 46.7 105.1 -86.1 67.9 65.7 84.8 37.2 98 99 A E S S- 0 0 24 -2,-2.0 2,-0.8 -92,-0.1 17,-0.1 -0.895 81.1 -96.7-137.6 159.2 69.1 86.3 36.4 99 100 A Q + 0 0 5 -2,-0.3 20,-0.1 16,-0.3 -2,-0.1 -0.734 48.8 178.6 -73.6 113.1 71.2 89.4 37.0 100 101 A R + 0 0 78 -2,-0.8 2,-0.5 -4,-0.1 -1,-0.1 0.461 35.4 105.1-107.9 -0.4 70.3 91.1 33.7 101 102 A S > - 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