==== 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 07-FEB-01 1I2C . 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) . 15805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.0 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 2 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 80 0, 0.0 25,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.2 48.8 73.3 32.2 2 3 A R E -a 26 0A 83 23,-0.2 89,-2.9 87,-0.2 90,-1.7 -0.775 360.0-172.4 -95.5 125.8 51.1 74.1 35.1 3 4 A V E -ab 27 92A 0 23,-3.3 25,-1.8 -2,-0.5 2,-0.7 -0.962 14.4-155.6-123.7 126.7 53.8 76.8 34.7 4 5 A M E -ab 28 93A 1 88,-2.6 90,-2.9 -2,-0.5 2,-0.9 -0.877 11.5-160.4 -97.6 116.7 56.6 77.7 37.0 5 6 A V E > -ab 29 94A 0 23,-2.8 25,-2.0 -2,-0.7 3,-1.3 -0.820 4.1-162.4-101.9 97.6 57.7 81.3 36.5 6 7 A I E 3 S+ab 30 95A 4 88,-2.3 90,-2.5 -2,-0.9 91,-0.3 -0.652 82.1 22.6 -78.3 130.2 61.2 81.7 37.9 7 8 A G T > S+ 0 0 8 23,-3.3 3,-2.0 -2,-0.4 6,-0.4 0.669 79.8 152.9 85.9 19.0 61.9 85.5 38.3 8 9 A G T < + 0 0 0 -3,-1.3 9,-0.2 22,-0.6 23,-0.1 0.460 62.3 61.5 -62.2 -5.0 58.2 86.2 38.5 9 10 A D T 3 S+ 0 0 4 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.563 92.1 93.0 -95.6 -9.8 58.5 89.3 40.6 10 11 A G S <> S- 0 0 16 -3,-2.0 4,-2.6 217,-0.1 5,-0.4 -0.026 94.2 -90.4 -76.4-179.8 60.6 91.0 37.9 11 12 A Y H > S+ 0 0 22 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.959 124.6 25.1 -55.8 -61.1 59.7 93.3 35.0 12 13 A C H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 123.5 54.5 -73.7 -40.6 59.1 90.6 32.3 13 14 A G H > S+ 0 0 1 -6,-0.4 4,-2.8 2,-0.2 -5,-0.2 0.853 105.5 49.2 -62.8 -41.6 58.2 87.8 34.8 14 15 A W H X S+ 0 0 0 -4,-2.6 4,-2.2 -7,-0.3 5,-0.2 0.947 113.3 46.5 -66.0 -47.9 55.5 89.6 36.7 15 16 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.4 -2,-0.2 0.918 115.9 47.7 -59.6 -41.7 53.7 90.7 33.5 16 17 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.918 108.5 53.0 -66.7 -43.4 54.1 87.1 32.2 17 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.921 111.5 46.0 -59.0 -45.9 52.9 85.4 35.4 18 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.918 113.0 50.3 -63.9 -43.4 49.7 87.4 35.4 19 20 A H H X S+ 0 0 28 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.920 111.2 47.1 -62.1 -45.5 49.0 86.8 31.7 20 21 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 -1,-0.2 0.904 112.3 50.7 -64.1 -39.5 49.5 83.1 32.0 21 22 A S H ><5S+ 0 0 5 -4,-2.2 3,-1.7 -5,-0.3 -2,-0.2 0.932 110.3 49.3 -62.7 -44.4 47.2 83.0 35.0 22 23 A K H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.895 105.7 57.5 -61.2 -39.1 44.6 84.9 33.1 23 24 A K T 3<5S- 0 0 88 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.274 125.5-105.0 -76.7 12.9 45.0 82.5 30.2 24 25 A N T < 5S+ 0 0 119 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.681 73.1 139.4 73.0 24.2 44.1 79.7 32.7 25 26 A Y < - 0 0 29 -5,-2.4 2,-0.6 -23,-0.0 -1,-0.2 -0.643 60.8-113.9 -88.5 155.0 47.4 78.1 33.3 26 27 A E E -a 2 0A 106 -25,-2.5 -23,-3.3 -2,-0.2 2,-0.4 -0.833 47.7-164.8 -87.5 126.4 48.1 77.1 36.9 27 28 A V E +a 3 0A 5 -2,-0.6 42,-1.8 40,-0.4 2,-0.3 -0.901 24.0 179.3-125.1 146.9 51.0 79.4 37.9 28 29 A C E -ac 4 69A 0 -25,-1.8 -23,-2.8 -2,-0.4 2,-0.4 -0.948 19.6-139.4-134.9 155.8 53.6 79.7 40.6 29 30 A I E -ac 5 70A 0 40,-2.7 42,-2.8 -2,-0.3 2,-0.5 -0.976 10.9-169.0-119.6 130.7 56.4 82.3 41.0 30 31 A V E +ac 6 71A 0 -25,-2.0 -23,-3.3 -2,-0.4 -22,-0.6 -0.986 30.2 138.5-118.6 117.1 59.8 81.3 42.2 31 32 A D E - c 0 72A 16 40,-1.8 42,-0.7 -2,-0.5 43,-0.1 -0.975 47.4-154.3-160.7 143.0 61.9 84.4 43.1 32 33 A N - 0 0 57 -2,-0.3 42,-0.1 40,-0.2 40,-0.1 0.450 42.1-130.1 -98.8 -1.1 64.4 85.4 45.8 33 34 A L >> + 0 0 38 40,-0.2 4,-1.0 1,-0.1 3,-1.0 0.681 61.2 141.6 61.5 22.9 63.5 89.1 45.3 34 35 A V H 3> + 0 0 34 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.803 61.2 69.3 -64.0 -26.8 67.2 90.0 45.1 35 36 A R H 3> S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.881 98.3 50.3 -59.0 -36.5 66.3 92.5 42.3 36 37 A R H <> S+ 0 0 52 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.856 106.8 54.6 -70.2 -33.5 64.6 94.6 45.0 37 38 A L H X S+ 0 0 81 -4,-1.0 4,-3.1 1,-0.2 -2,-0.2 0.882 102.4 57.5 -66.4 -36.6 67.7 94.4 47.2 38 39 A F H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 6,-0.3 0.885 103.2 53.9 -60.7 -38.4 69.8 95.7 44.3 39 40 A D H X>S+ 0 0 17 -4,-1.2 5,-2.4 2,-0.2 4,-1.2 0.947 112.0 44.1 -60.4 -48.1 67.6 98.8 44.2 40 41 A H H <5S+ 0 0 157 -4,-1.7 3,-0.4 3,-0.2 -2,-0.2 0.949 115.6 47.7 -62.1 -47.7 68.2 99.4 47.9 41 42 A Q H <5S+ 0 0 100 -4,-3.1 350,-0.3 1,-0.2 -2,-0.2 0.863 119.6 36.7 -64.0 -37.4 71.9 98.7 47.6 42 43 A L H <5S- 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.510 110.9-113.5 -94.3 -5.0 72.5 101.0 44.6 43 44 A G T <5 + 0 0 42 -4,-1.2 2,-0.2 -3,-0.4 -3,-0.2 0.838 67.7 143.4 76.8 34.7 70.1 103.7 45.5 44 45 A L < - 0 0 12 -5,-2.4 2,-0.3 -6,-0.3 -1,-0.2 -0.637 27.7-173.5-105.2 163.4 67.7 103.0 42.6 45 46 A E - 0 0 56 -2,-0.2 186,-0.4 326,-0.1 326,-0.2 -0.975 27.9-108.3-158.1 142.1 64.0 103.1 42.4 46 47 A S - 0 0 6 -2,-0.3 184,-0.2 2,-0.2 4,-0.1 -0.342 26.0-127.4 -66.9 149.0 61.2 102.2 39.9 47 48 A L S S+ 0 0 2 182,-2.9 322,-0.1 2,-0.1 -1,-0.1 0.921 99.4 53.4 -61.8 -43.5 59.4 105.2 38.2 48 49 A T S S- 0 0 0 181,-0.2 2,-0.3 179,-0.1 181,-0.3 -0.705 94.7-117.1 -94.7 141.3 56.2 103.5 39.3 49 50 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 177,-0.1 -0.630 36.7-161.6 -76.9 133.3 55.5 102.6 42.9 50 51 A I - 0 0 42 -2,-0.3 2,-0.1 -4,-0.1 174,-0.1 -0.868 12.2-122.8-117.4 154.1 55.1 98.8 43.1 51 52 A A - 0 0 16 173,-0.4 -1,-0.0 175,-0.3 2,-0.0 -0.386 40.0 -86.2 -86.0 167.7 53.5 96.6 45.7 52 53 A S > - 0 0 44 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.315 40.6-110.4 -68.2 158.1 55.2 93.7 47.6 53 54 A I H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 120.5 52.1 -60.0 -34.4 55.1 90.4 45.8 54 55 A H H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 111.8 43.9 -67.7 -42.6 52.7 89.2 48.5 55 56 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.851 111.9 55.3 -70.3 -33.3 50.3 92.1 48.1 56 57 A R H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.950 112.1 41.8 -61.2 -51.4 50.6 91.7 44.3 57 58 A I H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 11,-0.2 0.885 113.5 53.2 -65.3 -38.9 49.5 88.1 44.5 58 59 A S H X S+ 0 0 73 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.887 108.6 50.2 -63.9 -39.5 46.8 88.8 47.0 59 60 A R H X S+ 0 0 78 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.904 107.7 52.4 -66.5 -42.1 45.3 91.5 44.8 60 61 A W H X>S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 6,-0.6 0.900 111.8 47.8 -60.8 -38.8 45.2 89.2 41.8 61 62 A K H X5S+ 0 0 117 -4,-1.9 4,-1.8 3,-0.2 -2,-0.2 0.884 110.4 50.8 -69.3 -39.0 43.4 86.7 43.9 62 63 A A H <5S+ 0 0 74 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.888 117.4 40.2 -65.8 -38.8 40.9 89.3 45.3 63 64 A L H <5S+ 0 0 77 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.937 135.3 13.7 -75.3 -49.3 40.1 90.5 41.8 64 65 A T H <5S- 0 0 55 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.605 89.9-123.5-106.0 -17.3 40.0 87.2 39.8 65 66 A G << + 0 0 55 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.371 68.9 131.3 86.8 -5.3 39.9 84.5 42.5 66 67 A K - 0 0 59 -6,-0.6 2,-0.6 1,-0.0 -1,-0.3 -0.666 48.9-144.6 -87.3 135.1 43.0 82.9 41.0 67 68 A S - 0 0 71 -2,-0.3 2,-0.7 -3,-0.1 -40,-0.4 -0.874 6.3-161.6-104.3 119.5 45.9 81.9 43.2 68 69 A I - 0 0 7 -2,-0.6 -40,-0.2 -11,-0.2 -7,-0.1 -0.886 24.8-132.8 -97.2 115.9 49.5 82.2 42.0 69 70 A E E -c 28 0A 49 -42,-1.8 -40,-2.7 -2,-0.7 2,-0.4 -0.388 19.4-147.2 -68.4 147.1 51.6 80.0 44.3 70 71 A L E +c 29 0A 44 -42,-0.2 2,-0.5 -2,-0.1 -40,-0.2 -0.971 19.8 179.8-125.6 130.5 54.8 81.6 45.7 71 72 A Y E -c 30 0A 38 -42,-2.8 -40,-1.8 -2,-0.4 2,-0.7 -0.971 15.2-158.9-126.6 111.6 58.1 80.1 46.5 72 73 A V E +c 31 0A 71 -2,-0.5 2,-0.3 -42,-0.2 -40,-0.2 -0.829 43.0 93.4 -98.1 113.5 60.7 82.6 47.8 73 74 A G S S- 0 0 16 -42,-0.7 2,-0.5 -2,-0.7 -40,-0.2 -0.970 73.4 -81.3 178.4 170.6 64.2 81.4 47.5 74 75 A D > - 0 0 61 -2,-0.3 3,-2.2 -42,-0.1 7,-0.3 -0.783 26.7-147.6 -91.7 122.1 67.5 81.4 45.5 75 76 A I T 3 S+ 0 0 10 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.630 97.1 71.5 -67.6 -8.6 67.5 78.8 42.6 76 77 A C T 3 S+ 0 0 27 1,-0.1 2,-1.0 49,-0.1 -1,-0.3 0.622 83.0 78.9 -77.4 -11.8 71.2 78.4 43.2 77 78 A D S <> S- 0 0 83 -3,-2.2 4,-2.2 1,-0.2 3,-0.4 -0.834 71.8-167.1 -95.2 96.1 70.1 76.6 46.4 78 79 A F H > S+ 0 0 72 -2,-1.0 4,-3.4 1,-0.2 5,-0.3 0.832 81.9 60.6 -58.3 -35.0 69.2 73.3 44.9 79 80 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 110.0 43.3 -57.5 -45.9 67.4 72.1 48.0 80 81 A F H > S+ 0 0 35 -3,-0.4 4,-2.2 -6,-0.2 -2,-0.2 0.922 115.8 47.1 -64.9 -46.3 65.0 75.0 47.7 81 82 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 -7,-0.3 -2,-0.2 0.931 112.7 49.4 -62.8 -45.1 64.6 74.6 43.9 82 83 A A H X S+ 0 0 7 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.920 111.3 49.0 -60.4 -45.6 64.0 70.8 44.2 83 84 A E H X S+ 0 0 67 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.898 113.0 47.7 -62.1 -39.9 61.4 71.2 46.9 84 85 A S H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.897 112.6 48.8 -67.9 -40.1 59.6 73.9 44.9 85 86 A F H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.926 113.8 45.4 -65.6 -45.6 59.7 71.7 41.8 86 87 A K H < S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.825 114.4 49.5 -68.3 -31.2 58.4 68.7 43.6 87 88 A S H < S+ 0 0 77 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.922 122.7 30.1 -73.2 -44.3 55.7 70.7 45.3 88 89 A F H < S- 0 0 8 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.808 85.0-153.5 -86.6 -33.4 54.4 72.4 42.2 89 90 A E < - 0 0 135 -4,-3.0 -87,-0.2 -5,-0.3 -3,-0.1 0.979 20.8-153.5 55.0 65.5 55.1 69.8 39.5 90 91 A P - 0 0 8 0, 0.0 -87,-0.2 0, 0.0 3,-0.1 -0.339 25.0-162.1 -71.3 148.9 55.4 72.2 36.5 91 92 A D S S+ 0 0 76 -89,-2.9 47,-2.3 1,-0.3 2,-0.3 0.623 87.2 21.4 -97.6 -23.7 54.7 71.1 32.9 92 93 A S E -bd 3 138A 7 -90,-1.7 -88,-2.6 45,-0.2 2,-0.4 -0.990 67.7-156.6-143.1 146.3 56.6 74.2 31.8 93 94 A V E -bd 4 139A 1 45,-2.7 47,-3.5 -2,-0.3 2,-0.6 -0.996 3.8-161.8-125.8 125.1 59.3 76.3 33.4 94 95 A V E -bd 5 140A 0 -90,-2.9 -88,-2.3 -2,-0.4 2,-0.9 -0.951 13.6-152.1-107.2 118.4 59.8 79.9 32.2 95 96 A H E +bd 6 141A 0 45,-2.5 47,-1.6 -2,-0.6 -88,-0.1 -0.783 43.2 138.4-100.2 98.3 63.2 81.1 33.4 96 97 A F + 0 0 30 -90,-2.5 2,-2.1 -2,-0.9 -89,-0.2 0.338 40.7 114.4-108.3 -3.7 63.5 84.9 33.9 97 98 A G + 0 0 18 -91,-0.3 2,-0.3 -3,-0.2 -90,-0.2 -0.323 47.8 101.2 -75.9 62.7 65.4 84.5 37.2 98 99 A E S S- 0 0 24 -2,-2.1 2,-0.8 -92,-0.1 17,-0.1 -0.919 82.3 -94.0-139.7 162.5 68.8 85.9 36.4 99 100 A Q + 0 0 6 -2,-0.3 20,-0.1 16,-0.3 -2,-0.1 -0.695 47.5 178.7 -74.1 113.0 70.9 89.1 36.9 100 101 A R + 0 0 80 -2,-0.8 2,-0.5 -4,-0.1 -1,-0.1 0.456 36.7 105.8-103.9 -1.2 70.0 90.8 33.6 101 102 A S > - 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