==== 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 1I2B . 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) . 15837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 69.6 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 . 38 9.7 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 81 0, 0.0 25,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 139.1 48.8 73.3 32.3 2 3 A R E -a 26 0A 81 23,-0.2 89,-3.0 87,-0.2 90,-1.8 -0.795 360.0-172.5 -97.4 125.9 51.1 74.1 35.1 3 4 A V E -ab 27 92A 0 23,-3.3 25,-1.9 -2,-0.5 2,-0.6 -0.961 14.1-155.5-123.3 128.2 53.8 76.8 34.7 4 5 A M E -ab 28 93A 1 88,-2.5 90,-2.9 -2,-0.4 2,-0.9 -0.894 11.4-159.6 -99.9 116.7 56.6 77.7 37.0 5 6 A V E > -ab 29 94A 0 23,-2.8 25,-2.0 -2,-0.6 3,-1.3 -0.821 4.1-162.5-101.6 97.9 57.7 81.3 36.5 6 7 A I E 3 S+ab 30 95A 4 88,-2.3 90,-2.6 -2,-0.9 91,-0.3 -0.669 82.7 22.7 -78.5 129.2 61.2 81.7 37.9 7 8 A G T > S+ 0 0 8 23,-3.3 3,-2.1 -2,-0.4 6,-0.4 0.657 80.2 152.5 86.8 18.3 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 0.473 62.2 61.3 -61.9 -6.2 58.2 86.1 38.5 9 10 A D T 3 S+ 0 0 4 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.559 92.4 93.2 -94.8 -9.5 58.5 89.3 40.6 10 11 A G S <> S- 0 0 16 -3,-2.1 4,-2.7 217,-0.1 5,-0.4 -0.048 94.2 -90.6 -77.2 179.1 60.6 91.0 37.9 11 12 A Y H > S+ 0 0 23 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.953 124.8 25.2 -53.9 -60.9 59.7 93.2 35.0 12 13 A C H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 123.6 54.3 -74.4 -39.9 59.1 90.6 32.4 13 14 A G H > S+ 0 0 1 -6,-0.4 4,-3.0 2,-0.2 -5,-0.2 0.871 105.7 49.1 -63.3 -43.0 58.2 87.8 34.9 14 15 A W H X S+ 0 0 0 -4,-2.7 4,-2.3 -7,-0.3 5,-0.2 0.947 113.3 46.6 -64.4 -48.5 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 -1,-0.2 0.912 116.0 47.3 -59.5 -41.2 53.7 90.6 33.5 16 17 A T H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.912 108.4 53.6 -67.5 -43.0 54.1 87.1 32.2 17 18 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.930 111.8 45.1 -58.6 -46.9 52.9 85.4 35.4 18 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.919 113.1 50.6 -63.9 -43.3 49.6 87.4 35.4 19 20 A H H X S+ 0 0 27 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.928 111.3 47.1 -61.2 -46.3 49.0 86.9 31.7 20 21 A L H <>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 -1,-0.2 0.900 111.9 51.0 -63.4 -39.7 49.5 83.1 32.0 21 22 A S H ><5S+ 0 0 5 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.924 110.2 49.5 -63.0 -42.9 47.2 83.0 35.0 22 23 A K H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.891 105.3 57.7 -62.7 -37.8 44.6 84.9 33.1 23 24 A K T 3<5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.272 125.5-105.5 -77.2 13.1 45.0 82.5 30.2 24 25 A N T < 5S+ 0 0 119 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.688 72.8 139.5 72.6 24.7 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 -0.651 60.9-113.4 -89.2 155.4 47.4 78.1 33.3 26 27 A E E -a 2 0A 107 -25,-2.5 -23,-3.3 -2,-0.2 2,-0.4 -0.830 48.0-165.6 -87.2 125.3 48.1 77.1 36.9 27 28 A V E +a 3 0A 5 -2,-0.6 42,-1.9 40,-0.3 2,-0.3 -0.899 23.5 179.1-124.3 146.4 51.0 79.4 37.9 28 29 A C E -ac 4 69A 0 -25,-1.9 -23,-2.8 -2,-0.4 2,-0.4 -0.945 19.9-138.7-134.9 156.6 53.6 79.7 40.6 29 30 A I E -ac 5 70A 0 40,-2.7 42,-2.7 -2,-0.3 2,-0.5 -0.976 10.9-168.6-119.7 130.9 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 -0.987 30.6 138.0-117.9 118.0 59.9 81.3 42.2 31 32 A D E - c 0 72A 16 40,-1.8 42,-0.8 -2,-0.5 43,-0.1 -0.973 47.6-153.8-161.8 142.9 61.9 84.3 43.1 32 33 A N - 0 0 56 -2,-0.3 42,-0.1 40,-0.2 40,-0.1 0.463 41.9-129.8 -98.8 -0.6 64.4 85.4 45.9 33 34 A L >> + 0 0 38 40,-0.2 4,-1.0 1,-0.1 3,-0.9 0.693 61.5 141.5 61.7 23.3 63.5 89.1 45.3 34 35 A V H 3> + 0 0 33 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.793 61.3 68.9 -65.1 -25.6 67.2 89.9 45.1 35 36 A R H 3> S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.883 98.4 50.6 -60.0 -36.5 66.3 92.4 42.4 36 37 A R H <> S+ 0 0 53 -3,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.851 106.7 54.4 -69.7 -33.5 64.6 94.5 45.0 37 38 A L H X S+ 0 0 82 -4,-1.0 4,-3.1 1,-0.2 -2,-0.2 0.887 102.4 57.7 -66.7 -37.5 67.7 94.3 47.2 38 39 A F H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 6,-0.3 0.876 103.2 53.9 -59.3 -38.5 69.8 95.7 44.3 39 40 A D H X>S+ 0 0 17 -4,-1.2 5,-2.5 2,-0.2 4,-1.2 0.943 111.9 43.7 -60.5 -48.2 67.6 98.8 44.3 40 41 A H H <5S+ 0 0 160 -4,-1.6 3,-0.4 3,-0.2 -2,-0.2 0.938 115.2 48.8 -63.1 -46.4 68.2 99.4 47.9 41 42 A Q H <5S+ 0 0 101 -4,-3.1 350,-0.3 1,-0.2 -2,-0.2 0.855 119.5 35.9 -64.3 -36.3 71.9 98.7 47.7 42 43 A L H <5S- 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.488 110.9-113.3 -96.4 -4.1 72.5 101.0 44.7 43 44 A G T <5 + 0 0 44 -4,-1.2 2,-0.2 -3,-0.4 -3,-0.2 0.838 67.6 143.6 76.1 34.3 70.1 103.7 45.6 44 45 A L < - 0 0 12 -5,-2.5 2,-0.3 -6,-0.3 -1,-0.2 -0.635 27.3-174.0-104.4 163.3 67.7 103.0 42.7 45 46 A E - 0 0 72 -2,-0.2 186,-0.4 326,-0.1 326,-0.2 -0.974 28.2-108.0-158.4 141.4 64.0 103.1 42.5 46 47 A S - 0 0 6 -2,-0.3 184,-0.2 2,-0.1 4,-0.1 -0.316 30.4-121.1 -65.7 151.1 61.3 102.3 39.9 47 48 A L S S+ 0 0 1 182,-3.0 -1,-0.1 2,-0.1 322,-0.1 0.949 101.9 41.9 -57.6 -49.9 59.5 105.2 38.3 48 49 A T S S- 0 0 0 181,-0.2 181,-0.3 179,-0.1 2,-0.2 -0.757 96.8-110.1-100.9 144.8 56.2 103.9 39.6 49 50 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 177,-0.1 -0.513 36.1-158.1 -72.2 139.0 55.7 102.5 43.1 50 51 A I - 0 0 40 -2,-0.2 174,-0.1 -4,-0.1 2,-0.1 -0.865 12.7-119.0-117.9 155.4 55.1 98.7 43.1 51 52 A A - 0 0 16 173,-0.4 -1,-0.0 175,-0.3 173,-0.0 -0.379 40.5 -86.7 -85.0 167.7 53.5 96.6 45.7 52 53 A S > - 0 0 43 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.296 40.3-110.2 -67.9 160.2 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 0.884 120.6 52.1 -62.1 -34.5 55.1 90.3 45.9 54 55 A H H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 112.0 43.8 -67.2 -42.7 52.7 89.1 48.6 55 56 A D H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.844 111.7 55.5 -70.3 -33.0 50.3 92.1 48.1 56 57 A R H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.944 112.4 41.3 -61.8 -50.4 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 0.867 113.8 53.5 -66.9 -37.3 49.5 88.0 44.5 58 59 A S H X S+ 0 0 73 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.896 108.2 50.3 -65.1 -40.3 46.8 88.8 47.1 59 60 A R H X S+ 0 0 78 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.896 107.8 52.4 -65.5 -41.2 45.4 91.5 44.8 60 61 A W H X>S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 6,-0.6 0.902 111.5 47.8 -61.8 -39.6 45.2 89.2 41.8 61 62 A K H X5S+ 0 0 116 -4,-1.9 4,-1.8 3,-0.2 -2,-0.2 0.891 110.6 50.8 -67.9 -39.8 43.4 86.7 44.0 62 63 A A H <5S+ 0 0 75 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.883 117.5 40.0 -65.1 -38.7 40.9 89.3 45.3 63 64 A L H <5S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.917 135.5 13.5 -76.6 -47.1 40.1 90.5 41.8 64 65 A T H <5S- 0 0 55 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.609 90.0-123.8-108.0 -17.5 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 0.361 69.0 131.2 86.8 -5.7 39.8 84.5 42.5 66 67 A K - 0 0 61 -6,-0.6 2,-0.6 1,-0.0 -1,-0.3 -0.636 49.0-144.1 -86.2 138.1 42.9 82.9 41.0 67 68 A S - 0 0 71 -2,-0.3 2,-0.7 -3,-0.1 -40,-0.3 -0.891 6.5-161.7-107.2 119.7 45.8 81.9 43.2 68 69 A I - 0 0 7 -2,-0.6 -40,-0.2 -11,-0.2 -7,-0.1 -0.883 25.2-132.3 -97.1 116.7 49.4 82.2 42.0 69 70 A E E -c 28 0A 39 -42,-1.9 -40,-2.7 -2,-0.7 2,-0.4 -0.385 19.7-148.1 -68.3 148.4 51.6 80.0 44.3 70 71 A L E +c 29 0A 48 -42,-0.2 2,-0.5 -2,-0.1 -40,-0.2 -0.978 19.6 179.6-127.1 131.0 54.7 81.6 45.7 71 72 A Y E -c 30 0A 46 -42,-2.7 -40,-1.8 -2,-0.4 2,-0.7 -0.973 15.6-158.0-127.6 111.8 58.1 80.0 46.6 72 73 A V E +c 31 0A 72 -2,-0.5 2,-0.3 -42,-0.2 -40,-0.2 -0.830 43.3 94.8 -97.5 113.9 60.7 82.5 47.9 73 74 A G S S- 0 0 15 -42,-0.8 2,-0.5 -2,-0.7 -40,-0.2 -0.972 72.7 -83.2 179.0 170.4 64.2 81.3 47.5 74 75 A D > - 0 0 60 -2,-0.3 3,-2.2 -42,-0.1 7,-0.3 -0.799 26.2-147.3 -93.4 123.5 67.4 81.3 45.5 75 76 A I T 3 S+ 0 0 9 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.617 97.5 71.3 -68.2 -8.8 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 0.619 83.5 78.4 -77.9 -10.8 71.2 78.4 43.2 77 78 A D S <> S- 0 0 81 -3,-2.2 4,-2.2 1,-0.2 3,-0.4 -0.840 71.5-168.0 -95.8 96.4 70.1 76.6 46.4 78 79 A F H > S+ 0 0 73 -2,-1.0 4,-3.5 1,-0.2 5,-0.3 0.833 81.3 61.0 -59.6 -34.2 69.2 73.2 44.9 79 80 A E H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 110.0 42.7 -57.3 -46.6 67.4 72.0 48.1 80 81 A F H > S+ 0 0 34 -3,-0.4 4,-2.3 -6,-0.2 -2,-0.2 0.921 115.9 47.5 -65.1 -46.0 65.0 74.9 47.7 81 82 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 -7,-0.3 -2,-0.2 0.922 112.4 49.6 -62.7 -44.2 64.6 74.5 44.0 82 83 A A H X S+ 0 0 7 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.927 111.5 48.3 -61.0 -46.6 64.0 70.8 44.3 83 84 A E H X S+ 0 0 66 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.899 112.8 48.7 -61.7 -40.8 61.4 71.2 47.0 84 85 A S H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.898 112.5 48.3 -66.0 -40.0 59.6 73.9 44.9 85 86 A F H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.925 113.9 45.5 -66.4 -45.5 59.7 71.7 41.8 86 87 A K H < S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.7 49.5 -68.2 -31.0 58.4 68.6 43.6 87 88 A S H < S+ 0 0 76 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.927 122.7 29.6 -73.3 -45.7 55.7 70.7 45.4 88 89 A F H < S- 0 0 7 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.810 84.5-153.7 -85.8 -33.3 54.4 72.4 42.2 89 90 A E < - 0 0 134 -4,-2.9 -87,-0.2 -5,-0.3 -3,-0.1 0.975 21.0-153.3 54.5 65.1 55.1 69.7 39.5 90 91 A P - 0 0 8 0, 0.0 -87,-0.2 0, 0.0 3,-0.1 -0.325 25.1-162.0 -70.6 148.0 55.4 72.1 36.5 91 92 A D S S+ 0 0 76 -89,-3.0 47,-2.3 1,-0.3 2,-0.3 0.655 87.3 21.3 -96.0 -25.3 54.7 71.1 33.0 92 93 A S E -bd 3 138A 7 -90,-1.8 -88,-2.5 45,-0.2 2,-0.4 -0.987 67.7-156.9-141.6 147.6 56.6 74.2 31.8 93 94 A V E -bd 4 139A 1 45,-2.8 47,-3.5 -2,-0.3 2,-0.6 -0.997 3.6-161.8-127.0 126.0 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 -0.956 13.6-151.9-108.4 117.9 59.9 79.9 32.2 95 96 A H E +bd 6 141A 0 45,-2.5 47,-1.5 -2,-0.6 -88,-0.1 -0.772 43.5 138.0 -99.3 97.1 63.3 81.1 33.4 96 97 A F + 0 0 30 -90,-2.6 2,-2.1 -2,-0.9 -89,-0.2 0.330 40.8 114.3-107.9 -3.3 63.5 84.9 33.9 97 98 A G + 0 0 19 -91,-0.3 2,-0.3 -3,-0.2 -90,-0.2 -0.314 48.2 102.1 -75.0 60.8 65.4 84.4 37.2 98 99 A E S S- 0 0 23 -2,-2.1 2,-0.8 -92,-0.1 17,-0.1 -0.919 82.1 -95.3-138.3 162.1 68.8 85.9 36.4 99 100 A Q + 0 0 7 -2,-0.3 20,-0.1 16,-0.3 -2,-0.1 -0.696 47.4 178.6 -74.5 113.1 70.9 89.1 36.9 100 101 A R + 0 0 77 -2,-0.8 2,-0.4 -4,-0.1 -1,-0.1 0.448 36.1 106.1-104.5 -0.1 70.0 90.8 33.6 101 102 A S > - 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