==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-JUN-99 1QRR . COMPND 2 MOLECULE: SULFOLIPID BIOSYNTHESIS (SQD1) PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR A.M.MULICHAK,M.J.THEISEN,B.ESSIGMANN,C.BENNING,R.M.GARAVITO . 390 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.1 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 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 K 0 0 75 0, 0.0 25,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 146.4 49.0 73.3 32.0 2 3 A R E -a 26 0A 81 23,-0.2 89,-3.1 87,-0.2 90,-1.8 -0.850 360.0-168.6-101.0 125.9 51.2 74.2 35.0 3 4 A V E -ab 27 92A 0 23,-3.3 25,-1.9 -2,-0.5 2,-0.6 -0.956 13.0-155.7-121.0 128.0 53.8 76.9 34.6 4 5 A M E -ab 28 93A 1 88,-2.6 90,-3.0 -2,-0.5 2,-0.9 -0.892 11.8-159.7 -99.1 117.0 56.6 77.7 36.9 5 6 A V E > -ab 29 94A 0 23,-2.9 25,-2.0 -2,-0.6 3,-1.2 -0.822 3.8-161.9-102.3 97.5 57.7 81.3 36.4 6 7 A I E 3 S+ab 30 95A 4 88,-2.3 90,-2.6 -2,-0.9 91,-0.4 -0.655 82.4 22.2 -77.7 128.8 61.2 81.8 37.8 7 8 A G T > S+ 0 0 8 23,-3.3 3,-1.8 -2,-0.4 6,-0.4 0.690 79.8 153.0 86.2 21.2 61.9 85.5 38.3 8 9 A G T < + 0 0 0 -3,-1.2 9,-0.2 22,-0.5 23,-0.1 0.458 62.5 61.0 -64.5 -4.5 58.2 86.2 38.4 9 10 A D T 3 S+ 0 0 5 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.548 92.6 93.7 -96.4 -9.4 58.5 89.3 40.5 10 11 A G S <> S- 0 0 17 -3,-1.8 4,-2.7 217,-0.1 5,-0.4 -0.043 94.1 -90.8 -76.3 179.1 60.6 91.0 37.8 11 12 A Y H > S+ 0 0 22 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.960 124.2 24.6 -55.1 -62.0 59.7 93.3 34.9 12 13 A C H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 123.9 54.9 -73.2 -39.7 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 0.865 105.7 48.1 -62.7 -43.2 58.2 87.9 34.7 14 15 A W H X S+ 0 0 0 -4,-2.7 4,-2.3 -7,-0.3 5,-0.2 0.949 113.6 47.2 -65.4 -48.7 55.5 89.6 36.6 15 16 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.4 -2,-0.2 0.909 116.0 47.0 -57.8 -41.9 53.7 90.7 33.4 16 17 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.899 108.6 53.4 -68.1 -42.2 54.1 87.2 32.1 17 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.936 111.4 45.8 -59.6 -47.4 52.9 85.5 35.3 18 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.938 112.9 50.7 -61.5 -47.1 49.7 87.5 35.3 19 20 A H H X S+ 0 0 27 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.912 111.2 46.8 -58.6 -45.9 49.1 86.9 31.6 20 21 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 -1,-0.2 0.905 112.1 50.9 -64.5 -40.4 49.5 83.1 31.9 21 22 A S H ><5S+ 0 0 5 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.935 110.6 49.0 -61.4 -45.3 47.2 83.0 34.9 22 23 A K H 3<5S+ 0 0 78 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.893 105.6 57.9 -60.3 -39.2 44.6 85.0 33.0 23 24 A K T 3<5S- 0 0 89 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.298 125.6-105.9 -75.2 10.3 45.0 82.6 30.1 24 25 A N T < 5S+ 0 0 120 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.683 72.2 140.5 74.3 24.2 44.1 79.8 32.6 25 26 A Y < - 0 0 29 -5,-2.4 2,-0.6 -23,-0.0 -1,-0.2 -0.628 61.1-112.3 -88.6 155.1 47.4 78.1 33.2 26 27 A E E -a 2 0A 102 -25,-2.6 -23,-3.3 -2,-0.2 2,-0.4 -0.814 49.2-164.5 -84.7 126.0 48.1 77.1 36.8 27 28 A V E +a 3 0A 4 -2,-0.6 42,-1.9 40,-0.4 2,-0.3 -0.905 23.8 178.0-124.6 146.2 51.0 79.4 37.8 28 29 A C E -ac 4 69A 0 -25,-1.9 -23,-2.9 -2,-0.4 2,-0.5 -0.957 19.9-139.2-135.8 155.1 53.6 79.8 40.4 29 30 A I E -ac 5 70A 0 40,-2.9 42,-3.0 -2,-0.3 2,-0.5 -0.974 10.6-168.5-118.7 129.6 56.4 82.3 40.9 30 31 A V E +ac 6 71A 0 -25,-2.0 -23,-3.3 -2,-0.5 -22,-0.5 -0.980 30.9 138.6-116.8 115.5 59.9 81.3 42.1 31 32 A D E - c 0 72A 16 40,-1.9 42,-0.7 -2,-0.5 43,-0.1 -0.980 47.5-155.7-159.8 142.6 61.9 84.4 43.1 32 33 A N - 0 0 56 -2,-0.3 42,-0.1 40,-0.2 40,-0.1 0.450 42.0-130.8 -99.1 -0.6 64.3 85.4 45.8 33 34 A L >> + 0 0 38 40,-0.2 4,-1.0 1,-0.1 3,-1.0 0.684 60.5 142.1 60.3 22.8 63.5 89.1 45.2 34 35 A V H 3> + 0 0 34 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.790 61.5 68.2 -63.6 -26.7 67.2 89.9 45.1 35 36 A R H 3> S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.880 98.2 51.5 -60.0 -36.7 66.4 92.5 42.3 36 37 A R H <> S+ 0 0 58 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.863 107.2 53.0 -68.4 -34.6 64.6 94.5 44.9 37 38 A L H X S+ 0 0 84 -4,-1.0 4,-3.0 1,-0.2 -2,-0.2 0.881 103.6 57.3 -66.8 -37.4 67.7 94.3 47.2 38 39 A F H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 6,-0.3 0.895 103.5 53.8 -59.5 -40.5 69.8 95.6 44.3 39 40 A D H X>S+ 0 0 17 -4,-1.5 5,-2.4 2,-0.2 4,-1.2 0.946 111.9 44.2 -59.3 -48.4 67.5 98.7 44.1 40 41 A H H <5S+ 0 0 161 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.932 114.9 48.7 -62.4 -45.8 68.1 99.4 47.8 41 42 A Q H <5S+ 0 0 103 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.854 118.9 37.2 -65.2 -36.7 71.9 98.7 47.6 42 43 A L H <5S- 0 0 35 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.508 110.7-114.0 -94.7 -4.7 72.5 100.9 44.5 43 44 A G T <5 + 0 0 43 -4,-1.2 2,-0.2 -3,-0.3 -3,-0.2 0.810 68.0 142.7 77.4 30.1 70.0 103.7 45.5 44 45 A L < - 0 0 12 -5,-2.4 2,-0.3 -6,-0.3 -1,-0.2 -0.591 27.1-176.4-101.1 165.2 67.7 103.0 42.6 45 46 A E - 0 0 102 -2,-0.2 186,-0.4 326,-0.1 326,-0.2 -0.964 30.0-106.3-161.8 142.6 64.0 103.0 42.3 46 47 A S - 0 0 6 -2,-0.3 184,-0.2 2,-0.1 4,-0.1 -0.329 31.7-121.4 -66.1 150.5 61.3 102.3 39.8 47 48 A L S S+ 0 0 1 182,-3.1 -1,-0.1 2,-0.1 183,-0.1 0.940 103.1 43.1 -58.3 -46.3 59.5 105.3 38.2 48 49 A T S S- 0 0 6 181,-0.2 181,-0.3 179,-0.1 2,-0.2 -0.784 96.9-112.6-101.5 142.4 56.2 103.9 39.5 49 50 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 177,-0.1 -0.523 34.9-156.1 -74.0 140.4 55.9 102.5 43.0 50 51 A I - 0 0 37 -2,-0.2 174,-0.1 -4,-0.1 2,-0.1 -0.847 12.9-115.8-116.5 155.9 55.2 98.8 43.0 51 52 A A - 0 0 17 173,-0.4 -1,-0.0 175,-0.4 173,-0.0 -0.375 41.0 -87.9 -83.4 165.4 53.5 96.6 45.6 52 53 A S > - 0 0 44 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.313 40.0-111.0 -67.0 157.3 55.2 93.7 47.5 53 54 A I H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 120.5 52.5 -59.6 -35.6 55.1 90.4 45.7 54 55 A H H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 112.2 43.1 -66.1 -42.9 52.7 89.2 48.4 55 56 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.826 111.8 55.9 -71.6 -31.6 50.3 92.1 48.0 56 57 A R H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.956 112.8 40.3 -62.3 -51.5 50.6 91.7 44.2 57 58 A I H X S+ 0 0 23 -4,-2.4 4,-2.0 1,-0.2 11,-0.2 0.870 114.1 53.7 -66.3 -38.2 49.5 88.1 44.3 58 59 A S H X S+ 0 0 73 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.889 108.5 50.0 -64.4 -39.3 46.9 88.8 47.0 59 60 A R H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.908 108.0 52.3 -66.5 -43.0 45.4 91.5 44.8 60 61 A W H X>S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 5,-0.5 0.911 111.7 47.4 -59.1 -42.6 45.2 89.3 41.7 61 62 A K H X5S+ 0 0 118 -4,-2.0 4,-2.1 3,-0.2 -1,-0.2 0.894 110.7 51.3 -66.1 -40.3 43.4 86.7 43.8 62 63 A A H <5S+ 0 0 73 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.885 117.2 39.8 -64.3 -38.9 41.0 89.3 45.2 63 64 A L H <5S+ 0 0 73 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.918 135.9 13.8 -76.9 -46.9 40.1 90.5 41.7 64 65 A T H <5S- 0 0 55 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.607 89.6-124.3-107.9 -16.7 40.0 87.3 39.8 65 66 A G << + 0 0 55 -4,-2.1 2,-0.3 -5,-0.5 -4,-0.2 0.369 69.2 130.6 85.5 -6.2 39.8 84.5 42.4 66 67 A K - 0 0 63 -6,-0.5 2,-0.5 1,-0.0 -1,-0.3 -0.652 49.2-144.6 -86.0 136.7 42.9 82.9 40.8 67 68 A S - 0 0 56 -2,-0.3 2,-0.7 -3,-0.1 -40,-0.4 -0.886 6.3-160.7-106.7 121.6 45.8 82.0 43.1 68 69 A I - 0 0 6 -2,-0.5 -40,-0.2 -11,-0.2 -7,-0.1 -0.894 24.5-131.8 -99.1 116.9 49.4 82.3 41.9 69 70 A E E -c 28 0A 98 -42,-1.9 -40,-2.9 -2,-0.7 2,-0.4 -0.367 19.6-148.1 -66.9 147.2 51.6 80.1 44.2 70 71 A L E -c 29 0A 42 -42,-0.2 2,-0.5 -2,-0.1 -40,-0.2 -0.975 19.1-179.8-127.3 128.9 54.8 81.7 45.6 71 72 A Y E -c 30 0A 34 -42,-3.0 -40,-1.9 -2,-0.4 2,-0.7 -0.971 14.8-159.7-124.6 110.6 58.1 80.0 46.4 72 73 A V E +c 31 0A 72 -2,-0.5 2,-0.3 -42,-0.2 -40,-0.2 -0.830 42.9 95.0 -97.3 112.3 60.6 82.5 47.7 73 74 A G S S- 0 0 15 -2,-0.7 2,-0.5 -42,-0.7 -40,-0.2 -0.976 73.4 -82.2-179.6 171.5 64.2 81.3 47.4 74 75 A D > - 0 0 61 -2,-0.3 3,-2.3 -42,-0.1 7,-0.3 -0.799 26.5-147.6 -93.4 122.7 67.4 81.3 45.4 75 76 A I T 3 S+ 0 0 9 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.603 97.3 71.2 -68.1 -7.2 67.4 78.8 42.6 76 77 A C T 3 S+ 0 0 29 1,-0.1 2,-1.0 49,-0.1 -1,-0.3 0.610 83.2 79.2 -79.9 -11.1 71.2 78.3 43.2 77 78 A D S <> S- 0 0 71 -3,-2.3 4,-2.4 1,-0.2 3,-0.4 -0.822 70.2-169.0 -95.3 94.5 70.0 76.5 46.3 78 79 A F H > S+ 0 0 72 -2,-1.0 4,-3.6 1,-0.2 5,-0.3 0.819 81.7 61.3 -57.2 -33.9 69.1 73.2 44.8 79 80 A E H > S+ 0 0 152 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 110.5 40.8 -58.1 -47.3 67.4 72.0 48.0 80 81 A F H > S+ 0 0 34 -3,-0.4 4,-2.4 -6,-0.2 -2,-0.2 0.927 117.1 47.9 -67.1 -45.8 64.9 74.9 47.6 81 82 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 -7,-0.3 -2,-0.2 0.915 112.4 49.7 -61.8 -43.1 64.6 74.5 43.9 82 83 A A H X S+ 0 0 7 -4,-3.6 4,-2.6 2,-0.2 5,-0.2 0.920 111.6 48.1 -62.4 -45.2 64.0 70.8 44.2 83 84 A E H X S+ 0 0 112 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.914 112.7 48.4 -63.3 -42.0 61.4 71.2 46.8 84 85 A S H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.910 112.8 48.5 -64.4 -41.7 59.6 73.9 44.8 85 86 A F H X S+ 0 0 6 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.930 114.3 44.6 -64.1 -46.4 59.7 71.7 41.7 86 87 A K H < S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.2 49.3 -66.8 -35.4 58.4 68.6 43.5 87 88 A S H < S+ 0 0 75 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.921 123.3 29.5 -70.7 -43.7 55.7 70.6 45.2 88 89 A F H < S- 0 0 4 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.811 84.2-154.7 -88.1 -32.7 54.4 72.4 42.1 89 90 A E < - 0 0 134 -4,-3.2 -87,-0.2 -5,-0.3 -3,-0.1 0.980 20.4-154.0 54.2 66.2 55.2 69.8 39.4 90 91 A P - 0 0 7 0, 0.0 -87,-0.2 0, 0.0 3,-0.1 -0.362 24.9-160.7 -72.6 150.2 55.4 72.2 36.4 91 92 A D S S+ 0 0 81 -89,-3.1 47,-2.5 1,-0.3 2,-0.3 0.632 87.8 21.9 -96.6 -23.3 54.7 71.2 32.8 92 93 A S E -bd 3 138A 7 -90,-1.8 -88,-2.6 45,-0.3 2,-0.4 -0.989 67.3-157.1-142.7 147.6 56.7 74.2 31.7 93 94 A V E -bd 4 139A 1 45,-2.7 47,-3.4 -2,-0.3 2,-0.6 -0.998 4.5-161.3-127.2 125.8 59.3 76.4 33.3 94 95 A V E -bd 5 140A 0 -90,-3.0 -88,-2.3 -2,-0.4 2,-0.9 -0.957 13.1-151.8-108.0 117.9 59.9 80.0 32.1 95 96 A H E +bd 6 141A 0 45,-2.4 47,-1.4 -2,-0.6 -88,-0.1 -0.767 44.1 137.1 -99.3 96.5 63.3 81.1 33.3 96 97 A F + 0 0 31 -90,-2.6 2,-2.2 -2,-0.9 -89,-0.2 0.363 42.0 112.6-107.3 -6.0 63.5 84.9 33.8 97 98 A G + 0 0 18 -91,-0.4 2,-0.3 -3,-0.2 -90,-0.2 -0.314 48.7 102.3 -74.8 62.6 65.4 84.5 37.1 98 99 A E S S- 0 0 22 -2,-2.2 2,-0.8 -92,-0.1 17,-0.1 -0.920 82.6 -94.3-139.1 161.1 68.8 85.9 36.3 99 100 A Q + 0 0 7 16,-0.3 20,-0.1 -2,-0.3 -2,-0.1 -0.685 49.0 177.0 -73.4 111.6 70.9 89.0 36.8 100 101 A R + 0 0 79 -2,-0.8 2,-0.4 -4,-0.1 -1,-0.2 0.496 35.3 105.5-103.3 -3.9 70.0 90.8 33.5 101 102 A S > - 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