==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT SEED PROTEIN 14-APR-93 1CCN . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR A.M.J.J.BONVIN,J.A.C.RULLMANN,R.M.J.N.LAMERICHS,R.BOELENS, . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 6.5 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 . 0 0.0 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 . 5 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A T 0 0 64 0, 0.0 34,-2.8 0, 0.0 2,-1.5 0.000 360.0 360.0 360.0 139.2 -2.9 -6.3 3.6 2 2 A T E -A 34 0A 30 32,-0.2 2,-0.5 38,-0.1 32,-0.2 -0.594 360.0-170.8 -90.1 76.2 -1.6 -3.3 1.6 3 3 A a E -A 33 0A 0 30,-1.9 30,-3.3 -2,-1.5 42,-0.2 -0.566 4.3-174.7 -83.2 112.1 0.1 -5.1 -1.1 4 4 A b - 0 0 0 40,-0.5 28,-0.1 -2,-0.5 42,-0.1 -0.861 24.5-138.4-107.7 146.0 2.2 -2.8 -3.4 5 5 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 40,-0.2 0.894 83.0 30.8 -74.5 -40.7 4.0 -4.0 -6.6 6 6 A S S > S- 0 0 53 38,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.883 74.9-122.2-121.6 157.6 7.3 -2.1 -6.2 7 7 A I H > S+ 0 0 126 -2,-0.3 4,-2.7 1,-0.3 5,-0.1 0.848 118.7 52.0 -59.8 -33.5 9.4 -0.9 -3.2 8 8 A V H > S+ 0 0 95 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.910 108.2 50.3 -70.8 -44.2 9.1 2.7 -4.7 9 9 A A H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.926 112.3 47.0 -66.5 -35.2 5.3 2.2 -4.8 10 10 A R H X S+ 0 0 55 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.940 113.0 48.5 -67.8 -44.6 5.2 1.0 -1.2 11 11 A S H X S+ 0 0 54 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.950 114.4 46.1 -62.8 -39.4 7.4 4.0 -0.1 12 12 A N H X S+ 0 0 84 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.941 110.9 53.3 -63.9 -40.3 5.1 6.3 -2.1 13 13 A F H X S+ 0 0 6 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.934 109.5 48.3 -56.9 -46.4 2.2 4.4 -0.4 14 14 A N H < S+ 0 0 87 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.833 110.3 50.6 -67.9 -33.7 3.9 5.3 3.0 15 15 A V H >< S+ 0 0 95 -4,-2.2 3,-2.1 2,-0.2 -2,-0.2 0.973 110.0 50.4 -68.8 -46.6 4.3 9.0 1.9 16 16 A c H 3< S+ 0 0 38 -4,-3.2 5,-0.2 1,-0.3 -2,-0.2 0.810 113.1 48.9 -49.9 -33.6 0.5 8.9 0.9 17 17 A R T >< S+ 0 0 101 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.3 0.436 77.1 103.8 -98.8 9.8 0.0 7.5 4.5 18 18 A L T < S+ 0 0 139 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.886 80.3 54.4 -56.6 -39.3 2.2 10.2 6.3 19 19 A P T 3 S- 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.587 114.3-124.9 -64.4 -15.7 -1.1 11.9 7.6 20 20 A G S < S+ 0 0 45 -3,-1.9 -2,-0.1 -6,-0.2 -3,-0.1 0.901 80.1 75.6 73.2 45.3 -1.9 8.4 9.0 21 21 A T + 0 0 101 -5,-0.2 2,-2.3 -4,-0.0 3,-0.2 0.520 58.7 67.0-140.3 -76.1 -5.3 8.0 7.3 22 22 A P > + 0 0 43 0, 0.0 4,-3.3 0, 0.0 3,-0.4 -0.293 42.3 159.2 -87.1 73.8 -6.4 7.3 3.7 23 23 A E H > S+ 0 0 96 -2,-2.3 4,-2.3 1,-0.3 -6,-0.0 0.855 77.5 47.6 -54.5 -45.4 -5.3 3.7 3.2 24 24 A A H > S+ 0 0 69 2,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.860 112.8 48.3 -68.2 -34.8 -7.8 3.1 0.2 25 25 A L H > S+ 0 0 91 -3,-0.4 4,-3.4 2,-0.2 5,-0.3 0.958 106.8 56.1 -72.8 -40.7 -6.8 6.4 -1.4 26 26 A c H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 6,-0.2 0.923 108.1 52.4 -52.5 -42.3 -3.1 5.4 -1.0 27 27 A A H X>S+ 0 0 11 -4,-2.3 5,-2.4 -5,-0.2 4,-0.7 0.937 114.8 37.2 -54.9 -53.8 -4.2 2.2 -2.9 28 28 A T H ><5S+ 0 0 103 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.918 118.7 50.2 -65.7 -46.7 -5.7 4.0 -5.9 29 29 A Y H 3<5S+ 0 0 185 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 122.4 31.0 -66.8 -29.5 -3.1 6.9 -5.9 30 30 A T H 3<5S- 0 0 31 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.276 108.7-111.7-116.6 12.0 -0.0 4.4 -5.9 31 31 A G T <<5 + 0 0 44 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.900 68.4 142.2 60.1 44.2 -1.4 1.4 -7.8 32 32 A b < - 0 0 8 -5,-2.4 2,-0.5 -6,-0.2 -28,-0.2 -0.795 46.2-131.5-112.7 159.9 -1.5 -0.9 -4.7 33 33 A I E -A 3 0A 62 -30,-3.3 -30,-1.9 -2,-0.3 2,-0.8 -0.936 4.5-152.4-119.5 114.9 -4.0 -3.6 -3.8 34 34 A I E -A 2 0A 78 -2,-0.5 -32,-0.2 -32,-0.2 -30,-0.0 -0.801 27.5-174.7 -86.0 105.3 -5.6 -3.8 -0.2 35 35 A I - 0 0 45 -34,-2.8 -2,-0.0 -2,-0.8 4,-0.0 -0.936 35.2-132.5-110.9 134.1 -6.5 -7.6 0.0 36 36 A P S S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.742 79.5 107.7 -50.1 -30.1 -8.4 -9.3 2.9 37 37 A G S S- 0 0 35 1,-0.1 -2,-0.2 -36,-0.1 0, 0.0 -0.254 79.6-128.3 -52.7 132.8 -5.6 -11.9 2.8 38 38 A A S S+ 0 0 101 2,-0.0 2,-0.3 -37,-0.0 -1,-0.1 0.412 90.2 32.9 -65.4 -8.0 -3.1 -11.8 5.7 39 39 A T S S- 0 0 112 -38,-0.1 -36,-0.1 -4,-0.0 -2,-0.1 -0.928 86.8 -98.0-150.4 167.7 -0.2 -11.8 3.2 40 40 A a - 0 0 31 -2,-0.3 5,-0.1 1,-0.1 -38,-0.1 -0.737 32.8-105.1-101.3 140.9 0.7 -10.4 -0.2 41 41 A P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.216 38.9-108.2 -52.0 151.1 0.8 -12.0 -3.7 42 42 A G T 3 S+ 0 0 83 1,-0.3 3,-0.5 2,-0.2 -2,-0.0 0.744 122.0 46.3 -52.7 -35.6 4.3 -12.8 -5.1 43 43 A D T 3 S+ 0 0 117 1,-0.2 -1,-0.3 -40,-0.0 -3,-0.0 0.387 116.5 44.6 -89.9 -5.5 3.9 -9.9 -7.6 44 44 A Y S < S+ 0 0 58 -3,-2.3 2,-0.8 -12,-0.0 -40,-0.5 -0.066 83.2 122.9-127.6 30.6 2.7 -7.4 -4.9 45 45 A A 0 0 58 -3,-0.5 -38,-0.1 -40,-0.2 -42,-0.1 -0.804 360.0 360.0-108.9 102.4 5.1 -8.2 -2.2 46 46 A N 0 0 88 -2,-0.8 -42,-0.1 -40,-0.1 -6,-0.1 -0.886 360.0 360.0-113.9 360.0 7.2 -5.4 -0.8