==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-OCT-11 3U7T . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR J.C.-H.CHEN . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 56.5 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 . 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 . 4 8.7 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 77 0, 0.0 34,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.8 -6.9 -3.2 -3.5 2 2 A T E -A 34 0A 23 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.848 360.0-172.8-106.4 142.0 -5.2 -1.8 -6.5 3 3 A a E -A 33 0A 0 30,-2.4 30,-2.7 -2,-0.4 42,-0.2 -0.996 8.1-156.5-132.1 134.1 -1.4 -1.0 -6.7 4 4 A b - 0 0 0 42,-2.5 42,-2.4 -2,-0.4 28,-0.1 -0.872 18.2-137.7-120.3 148.3 0.2 0.7 -9.7 5 5 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 40,-0.2 0.638 84.4 4.0 -80.0 -15.2 3.9 0.6 -10.9 6 6 A S S > S- 0 0 49 38,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.966 77.1-101.3-157.5 167.4 4.2 4.4 -11.6 7 7 A I H > S+ 0 0 117 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.909 120.4 52.3 -60.1 -45.6 2.2 7.6 -11.4 8 8 A V H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 106.3 54.3 -62.3 -38.6 1.3 7.5 -15.1 9 9 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 109.7 47.5 -61.3 -42.5 -0.0 4.0 -14.8 10 10 A R H X S+ 0 0 53 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 110.6 50.8 -63.1 -44.5 -2.3 5.1 -11.9 11 11 A S H X S+ 0 0 66 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.913 112.3 47.3 -61.0 -40.6 -3.6 8.1 -13.9 12 12 A N H X S+ 0 0 87 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.882 109.3 54.5 -66.6 -38.0 -4.3 5.8 -16.8 13 13 A F H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.921 106.6 51.4 -59.5 -44.4 -6.1 3.3 -14.5 14 14 A N H X S+ 0 0 89 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.869 110.9 47.1 -65.9 -36.2 -8.4 6.1 -13.2 15 15 A V H >< S+ 0 0 94 -4,-1.6 3,-1.2 2,-0.2 -1,-0.2 0.924 109.0 55.3 -68.2 -42.9 -9.4 7.1 -16.7 16 16 A c H 3<>S+ 0 0 22 -4,-2.6 5,-0.7 1,-0.3 -2,-0.2 0.858 107.6 51.1 -55.1 -36.0 -10.0 3.4 -17.6 17 17 A R H ><5S+ 0 0 95 -4,-1.9 3,-1.8 1,-0.2 -1,-0.3 0.663 84.5 89.6 -78.2 -15.6 -12.4 3.2 -14.6 18 18 A L T <<5S+ 0 0 143 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.880 91.1 42.7 -54.2 -45.0 -14.5 6.3 -15.6 19 19 A P T 3 5S- 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.561 126.7 -97.3 -78.8 -3.7 -17.0 4.3 -17.8 20 20 A G T < 5 + 0 0 56 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.506 61.1 170.2 103.9 8.2 -17.1 1.5 -15.2 21 21 A T < - 0 0 46 -5,-0.7 -1,-0.2 1,-0.1 5,-0.1 -0.223 44.6 -96.7 -53.2 136.4 -14.6 -0.9 -16.8 22 22 A S >> - 0 0 63 1,-0.1 4,-2.1 3,-0.1 3,-0.5 -0.179 26.2-121.7 -55.8 146.8 -13.8 -3.8 -14.4 23 23 A E H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.860 110.1 60.3 -56.0 -38.8 -10.7 -3.4 -12.4 24 24 A A H 3> S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 107.6 43.7 -63.4 -37.8 -9.2 -6.7 -13.9 25 25 A I H <> S+ 0 0 98 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.888 112.9 51.1 -72.7 -39.9 -9.3 -5.3 -17.4 26 26 A c H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 6,-0.4 0.861 106.9 57.8 -65.7 -29.3 -8.0 -1.9 -16.4 27 27 A A H X S+ 0 0 11 -4,-2.3 4,-2.5 -5,-0.2 5,-0.4 0.961 108.9 41.4 -62.9 -54.2 -5.1 -3.8 -14.6 28 28 A T H < S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 114.7 54.3 -67.6 -25.9 -3.9 -5.6 -17.7 29 29 A Y H < S+ 0 0 181 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.866 122.6 24.3 -70.1 -36.6 -4.3 -2.4 -19.8 30 30 A T H < S- 0 0 24 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.607 103.0-111.0-106.9 -20.3 -2.2 -0.3 -17.5 31 31 A G S < S+ 0 0 35 -4,-2.5 -3,-0.1 1,-0.3 -4,-0.1 0.359 73.2 132.7 92.8 -2.9 0.2 -2.6 -15.6 32 32 A b - 0 0 5 -5,-0.4 -1,-0.3 -6,-0.4 2,-0.3 -0.323 44.4-142.7 -70.3 164.0 -1.5 -2.0 -12.3 33 33 A I E -A 3 0A 49 -30,-2.7 -30,-2.4 -3,-0.1 2,-0.5 -0.891 5.6-134.5-129.8 159.1 -2.3 -5.1 -10.1 34 34 A I E -A 2 0A 77 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.968 24.6-178.9-115.2 127.6 -5.1 -6.2 -7.8 35 35 A I - 0 0 37 -34,-2.7 5,-0.0 -2,-0.5 -2,-0.0 -0.898 32.3-131.4-122.7 155.6 -4.2 -7.8 -4.5 36 36 A P S S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.766 88.6 61.9 -77.7 -23.6 -6.5 -9.2 -1.8 37 37 A G S S- 0 0 40 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.019 85.1-118.8 -87.9-163.5 -4.7 -7.3 1.0 38 38 A A S S+ 0 0 81 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.355 83.0 88.6-119.1 -1.0 -4.3 -3.6 1.7 39 39 A T - 0 0 125 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.861 62.1-154.2-115.0 100.3 -0.5 -3.2 1.6 40 40 A a - 0 0 45 -2,-0.7 5,-0.0 -38,-0.1 -2,-0.0 -0.485 23.1-113.6 -72.7 141.9 1.0 -2.5 -1.8 41 41 A P > - 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.247 28.6-103.6 -74.0 164.2 4.6 -3.6 -2.4 42 42 A G T 3 S+ 0 0 76 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.689 119.6 53.9 -64.0 -23.4 7.5 -1.2 -3.0 43 43 A D T 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.455 111.8 46.2 -90.8 -0.8 7.7 -1.8 -6.7 44 44 A Y S < S+ 0 0 66 -3,-1.9 -40,-0.3 1,-0.1 -1,-0.2 -0.521 76.0 140.9-129.1 60.5 3.9 -1.0 -7.1 45 45 A A 0 0 70 -3,-0.5 -3,-0.1 -40,-0.2 -1,-0.1 0.454 360.0 360.0 -87.9 -7.5 4.1 2.1 -4.9 46 46 A N 0 0 74 -42,-2.4 -42,-2.5 -3,-0.1 -39,-0.1 -0.298 360.0 360.0-114.3 360.0 1.7 4.3 -6.8