==== 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 PROTEIN 30-AUG-99 1CXR . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR Y.XU,J.WU,D.GORENSTEIN,W.BRAUN . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 43.5 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 . 0 0.0 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 . 10 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 4.3 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+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 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 140 0, 0.0 34,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -25.4 -3.2 6.6 -4.3 2 2 A T - 0 0 28 32,-0.1 2,-0.5 44,-0.1 32,-0.1 -0.930 360.0-165.2-140.0 112.1 -3.1 3.0 -3.1 3 3 A a + 0 0 3 30,-0.4 30,-0.6 -2,-0.4 42,-0.1 -0.862 21.6 160.0-100.0 124.8 -5.2 0.3 -4.6 4 4 A b - 0 0 0 -2,-0.5 3,-0.1 42,-0.3 27,-0.1 -0.928 48.4-123.4-140.0 161.8 -5.5 -2.9 -2.6 5 5 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.793 95.6 1.9 -75.0 -30.1 -7.8 -5.9 -2.4 6 6 A S - 0 0 53 1,-0.1 4,-0.2 40,-0.1 3,-0.1 -0.950 65.9-118.3-151.1 166.9 -8.4 -5.3 1.2 7 7 A I S > S+ 0 0 130 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.760 112.1 64.6 -78.9 -27.1 -7.5 -3.0 4.1 8 8 A V G > S+ 0 0 109 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.795 93.6 61.6 -64.8 -28.7 -5.8 -5.8 5.9 9 9 A A G > S+ 0 0 21 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.711 96.9 59.5 -69.4 -20.4 -3.4 -6.0 3.1 10 10 A R G X S+ 0 0 68 -3,-1.2 3,-0.8 -4,-0.2 -1,-0.3 0.271 75.7 97.4 -90.0 9.7 -2.4 -2.4 4.0 11 11 A S G X S+ 0 0 64 -3,-1.6 3,-0.9 1,-0.3 -1,-0.2 0.751 78.1 58.0 -67.9 -24.6 -1.5 -3.7 7.5 12 12 A N G X S+ 0 0 83 -3,-0.7 3,-1.1 1,-0.2 -1,-0.3 0.684 95.1 65.1 -77.4 -19.4 2.1 -3.8 6.2 13 13 A F G X> S+ 0 0 74 -3,-0.8 4,-2.2 1,-0.2 3,-1.0 0.496 78.1 84.3 -79.9 -4.6 1.8 -0.1 5.5 14 14 A N G <4 S+ 0 0 77 -3,-0.9 4,-0.4 1,-0.3 -1,-0.2 0.640 86.2 56.7 -70.8 -14.3 1.4 0.5 9.2 15 15 A V G <4 S+ 0 0 71 -3,-1.1 6,-1.7 2,-0.2 5,-0.4 0.595 107.4 47.9 -90.0 -14.7 5.2 0.4 9.3 16 16 A c T <4 S+ 0 0 26 -3,-1.0 4,-0.3 4,-0.2 -2,-0.2 0.858 109.3 49.9 -90.0 -44.6 5.3 3.2 6.8 17 17 A R S < S+ 0 0 182 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.1 0.715 106.3 75.4 -66.0 -20.9 2.8 5.5 8.5 18 18 A L S > S- 0 0 89 -4,-0.4 2,-2.7 -5,-0.2 3,-0.6 -0.480 106.1 -92.9 -89.9 163.1 4.8 4.9 11.7 19 19 A P T 3 S+ 0 0 138 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.411 107.9 74.6 -75.0 67.3 8.2 6.5 12.5 20 20 A G T 3 - 0 0 52 -2,-2.7 -4,-0.2 -5,-0.4 -5,-0.1 0.475 57.1-173.3-137.7 -62.3 10.1 3.7 11.0 21 21 A T < + 0 0 84 -6,-1.7 -5,-0.1 -3,-0.6 4,-0.1 0.946 25.1 155.2 54.5 54.3 10.2 3.5 7.3 22 22 A S S S+ 0 0 90 -7,-0.4 3,-0.1 1,-0.1 -6,-0.1 0.944 79.7 23.3 -74.4 -51.7 11.9 0.2 7.2 23 23 A E S S- 0 0 76 1,-0.2 2,-3.0 6,-0.0 -1,-0.1 0.772 85.0-169.0 -84.2 -29.8 10.7 -0.9 3.8 24 24 A A S S+ 0 0 53 1,-0.2 2,-1.4 -9,-0.1 3,-0.4 -0.401 79.3 60.3 74.4 -66.7 10.1 2.7 2.7 25 25 A I >> + 0 0 101 -2,-3.0 4,-1.9 1,-0.2 3,-1.1 -0.451 61.5 146.4 -90.0 60.8 8.2 1.5 -0.4 26 26 A c T 34 + 0 0 2 -2,-1.4 -1,-0.2 1,-0.3 6,-0.2 0.857 61.1 74.6 -63.5 -35.6 5.6 -0.3 1.7 27 27 A A T 34 S+ 0 0 17 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.837 109.6 31.1 -44.3 -38.0 3.1 0.6 -1.0 28 28 A T T X4 S+ 0 0 80 -3,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.802 119.2 53.5 -90.0 -35.7 4.8 -2.1 -3.0 29 29 A Y T 3< S+ 0 0 162 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 -0.060 102.8 62.3 -90.0 32.2 5.7 -4.3 -0.0 30 30 A T T 3 S- 0 0 3 2,-0.4 2,-0.5 -3,-0.4 -1,-0.2 0.114 116.9-102.6-140.0 17.1 2.1 -4.3 1.1 31 31 A G S < S+ 0 0 41 -3,-0.9 -21,-0.1 1,-0.3 -4,-0.1 -0.144 95.6 102.2 85.9 -39.1 0.5 -6.0 -1.9 32 32 A b - 0 0 2 -2,-0.5 -2,-0.4 -23,-0.2 -1,-0.3 0.029 63.4-138.8 -64.9-179.1 -0.7 -2.7 -3.2 33 33 A I - 0 0 46 -30,-0.6 2,-0.7 -3,-0.1 -30,-0.4 -0.810 20.3 -92.7-137.1 176.3 1.0 -0.9 -6.0 34 34 A I - 0 0 121 -2,-0.3 -32,-0.1 -32,-0.1 -6,-0.0 -0.868 40.9-166.4-100.0 115.9 2.0 2.6 -7.0 35 35 A I - 0 0 17 -34,-0.9 3,-0.1 -2,-0.7 5,-0.1 -0.664 21.4-137.6 -99.9 156.6 -0.6 4.4 -9.1 36 36 A P S S- 0 0 118 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.964 85.6 -20.3 -75.0 -57.0 -0.1 7.6 -11.1 37 37 A G S S- 0 0 49 2,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.634 116.7 -46.5-160.0 93.5 -3.4 9.4 -10.2 38 38 A A S S+ 0 0 88 -2,-0.2 2,-0.4 1,-0.2 -36,-0.0 0.893 98.3 132.1 44.4 48.5 -6.4 7.5 -8.9 39 39 A T - 0 0 85 -38,-0.0 -1,-0.2 -36,-0.0 -2,-0.1 -0.776 40.0-165.2-133.6 88.3 -5.8 5.0 -11.7 40 40 A a - 0 0 43 -2,-0.4 -36,-0.0 1,-0.1 -38,-0.0 -0.327 27.5-125.7 -70.1 154.8 -5.8 1.4 -10.5 41 41 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.642 46.2-113.0 -75.0 -15.6 -4.5 -1.3 -12.8 42 42 A G S S+ 0 0 50 4,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.134 95.3 106.7 103.1 -17.0 -7.8 -3.1 -12.5 43 43 A D S S+ 0 0 129 1,-0.2 -39,-0.0 -40,-0.0 -3,-0.0 0.907 105.1 6.9 -58.3 -44.1 -6.2 -6.0 -10.6 44 44 A Y S S- 0 0 77 2,-0.1 -1,-0.2 -41,-0.0 -40,-0.1 0.735 83.8-159.6-107.0 -37.4 -7.8 -4.7 -7.4 45 45 A A 0 0 76 1,-0.2 -42,-0.0 -42,-0.1 -6,-0.0 0.963 360.0 360.0 51.2 61.7 -10.0 -1.9 -8.7 46 46 A N 0 0 106 -40,-0.0 -42,-0.3 0, 0.0 -1,-0.2 -0.900 360.0 360.0-139.9 360.0 -10.2 -0.3 -5.3