==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT SEED PROTEIN 31-JAN-97 1AB1 . COMPND 2 MOLECULE: CRAMBIN (SER22/ILE25); . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR M.M.TEETER,A.YAMANO . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 54.3 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 . 1 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 32.6 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 0 1 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 75 0, 0.0 34,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.1 16.9 12.7 4.4 2 2 A T E -A 34 0A 22 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.832 360.0-172.6-106.4 141.9 13.8 11.4 5.9 3 3 A a E -A 33 0A 0 30,-2.4 30,-2.9 -2,-0.4 42,-0.2 -0.996 7.5-156.1-131.2 138.1 13.6 10.6 9.7 4 4 A b - 0 0 0 42,-2.5 42,-2.5 -2,-0.4 28,-0.2 -0.911 17.6-139.1-124.5 147.1 10.7 8.9 11.3 5 5 A P S S+ 0 0 53 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.687 84.6 4.6 -74.8 -22.6 9.5 9.0 15.0 6 6 A S S > S- 0 0 46 38,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.956 78.7 -99.9-150.6 171.9 8.7 5.3 15.3 7 7 A I H > S+ 0 0 112 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.915 120.5 48.5 -62.7 -50.5 8.9 2.1 13.3 8 8 A V H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.847 105.7 58.4 -67.3 -27.6 5.4 2.0 12.2 9 9 A A H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 108.8 46.7 -62.4 -43.3 5.6 5.6 11.1 10 10 A R H X S+ 0 0 53 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.919 110.9 50.9 -62.1 -47.4 8.5 4.5 8.8 11 11 A S H X S+ 0 0 60 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.929 112.9 46.1 -57.3 -43.9 6.5 1.5 7.5 12 12 A N H X S+ 0 0 82 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.879 109.5 55.2 -64.4 -39.9 3.6 3.8 6.7 13 13 A F H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.927 106.8 50.6 -54.9 -51.1 5.9 6.3 5.1 14 14 A N H X S+ 0 0 86 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.877 110.9 48.0 -62.3 -33.7 7.3 3.6 2.8 15 15 A V H >< S+ 0 0 96 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.935 109.0 53.9 -68.4 -47.1 3.7 2.6 1.8 16 16 A c H 3<>S+ 0 0 17 -4,-2.7 5,-0.8 1,-0.2 -2,-0.2 0.877 108.0 52.1 -51.7 -37.9 2.8 6.2 1.1 17 17 A R H ><5S+ 0 0 91 -4,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.721 85.4 87.3 -72.9 -21.4 5.8 6.5 -1.2 18 18 A L T <<5S+ 0 0 141 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.847 90.2 44.7 -56.1 -42.3 4.9 3.5 -3.3 19 19 A P T 3 5S- 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.572 127.5 -96.6 -75.8 -5.8 2.6 5.3 -5.8 20 20 A G T < 5 + 0 0 57 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.518 63.3 169.2 103.4 9.3 5.2 8.1 -6.0 21 21 A T < - 0 0 40 -5,-0.8 -1,-0.2 1,-0.1 5,-0.0 -0.241 44.6 -95.5 -49.3 138.4 3.7 10.5 -3.4 22 22 A S > - 0 0 65 1,-0.1 4,-2.4 3,-0.0 3,-0.2 -0.162 25.1-122.7 -53.0 143.4 6.0 13.4 -2.5 23 23 A E H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.873 111.8 58.9 -53.1 -38.4 8.1 13.0 0.6 24 24 A A H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 107.7 43.7 -64.6 -40.5 6.5 16.2 2.0 25 25 A I H > S+ 0 0 103 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 113.7 50.7 -67.0 -40.8 3.0 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 6,-0.4 0.845 107.6 56.2 -66.7 -31.8 4.1 11.5 3.2 27 27 A A H X S+ 0 0 11 -4,-2.3 4,-2.8 -5,-0.2 5,-0.4 0.959 110.4 41.2 -60.7 -53.8 5.8 13.3 6.1 28 28 A T H < S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.836 114.3 55.3 -68.8 -24.0 2.8 15.2 7.2 29 29 A Y H < S+ 0 0 180 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 123.2 22.5 -70.8 -37.1 0.7 12.1 6.7 30 30 A T H < S- 0 0 24 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.582 103.5-108.8-107.1 -19.3 2.9 9.9 8.9 31 31 A G S < S+ 0 0 34 -4,-2.8 -3,-0.1 1,-0.4 -4,-0.1 0.338 75.7 131.5 94.7 -5.3 4.7 12.2 11.3 32 32 A b - 0 0 4 -6,-0.4 -1,-0.4 -5,-0.4 2,-0.3 -0.266 44.9-144.0 -68.3 168.6 8.0 11.6 9.6 33 33 A I E -A 3 0A 47 -30,-2.9 -30,-2.4 -3,-0.1 2,-0.5 -0.913 7.9-134.1-134.4 159.2 10.1 14.6 8.7 34 34 A I E -A 2 0A 77 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.975 25.2-178.1-113.4 128.0 12.5 15.7 5.9 35 35 A I - 0 0 36 -34,-2.9 5,-0.0 -2,-0.5 -2,-0.0 -0.924 31.6-133.3-121.6 157.0 15.8 17.3 6.9 36 36 A P S S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.727 89.7 60.1 -77.6 -26.9 18.5 18.8 4.6 37 37 A G S S- 0 0 40 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.099 84.8-121.8 -85.2-167.4 21.3 16.9 6.5 38 38 A A S S+ 0 0 78 1,-0.1 2,-0.8 -2,-0.1 -36,-0.1 0.311 80.9 92.7-118.1 5.4 21.8 13.2 7.0 39 39 A T - 0 0 127 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.844 60.7-156.8-112.5 97.0 21.8 13.0 10.8 40 40 A a - 0 0 45 -2,-0.8 5,-0.0 -38,-0.1 -2,-0.0 -0.491 21.9-115.8 -70.3 141.6 18.4 12.2 12.2 41 41 A P > - 0 0 55 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.273 27.9-100.8 -75.7 168.1 17.9 13.2 15.9 42 42 A G T 3 S+ 0 0 76 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.670 121.5 53.8 -63.4 -24.4 17.2 10.8 18.7 43 43 A D T 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.447 112.1 44.3 -93.1 1.7 13.5 11.5 18.7 44 44 A Y S < S+ 0 0 66 -3,-2.2 -40,-0.3 1,-0.1 -1,-0.2 -0.540 76.0 140.3-132.4 60.5 13.2 10.7 15.0 45 45 A A 0 0 68 -3,-0.5 -3,-0.1 -40,-0.3 -2,-0.1 0.494 360.0 360.0 -87.4 -6.8 15.4 7.6 15.2 46 46 A N 0 0 73 -42,-2.5 -42,-2.5 -3,-0.1 -39,-0.1 -0.218 360.0 360.0-113.8 360.0 13.5 5.3 12.9