==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 10-SEP-01 1JXY . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR M.M.TEETER,A.YAMANO,B.STEC,U.MOHANTY . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2952.0 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 74 0, 0.0 34,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.5 16.9 12.8 4.3 2 2 A T E -A 34 0A 23 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.849 360.0-173.5-106.2 142.6 13.8 11.4 6.0 3 3 A a E -A 33 0A 0 30,-2.4 30,-2.9 -2,-0.4 42,-0.2 -0.997 8.0-156.9-132.4 136.0 13.6 10.6 9.7 4 4 A b - 0 0 0 42,-2.5 42,-2.5 -2,-0.4 28,-0.1 -0.890 18.4-138.0-124.0 147.4 10.7 8.9 11.3 5 5 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 40,-0.3 0.674 84.4 1.4 -76.2 -19.3 9.5 9.0 15.0 6 6 A S S > S- 0 0 49 38,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.959 76.6-100.8-157.9 168.1 8.7 5.3 15.2 7 7 A I H > S+ 0 0 116 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.904 120.1 55.3 -64.1 -43.5 8.9 2.1 13.2 8 8 A V H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 107.0 51.3 -51.4 -47.2 5.1 2.2 12.4 9 9 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 110.5 48.1 -62.4 -43.5 5.6 5.7 11.0 10 10 A R H X S+ 0 0 52 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.918 111.1 50.1 -61.0 -45.7 8.5 4.6 8.8 11 11 A S H X S+ 0 0 66 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.920 112.7 47.6 -60.4 -43.2 6.5 1.6 7.6 12 12 A N H X S+ 0 0 72 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.871 109.9 53.7 -60.2 -43.0 3.6 3.9 6.8 13 13 A F H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.915 106.3 52.0 -58.5 -45.8 5.9 6.3 5.0 14 14 A N H X S+ 0 0 86 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.862 110.6 47.2 -66.3 -35.7 7.3 3.6 2.8 15 15 A V H >< S+ 0 0 93 -4,-1.7 3,-1.0 2,-0.2 -1,-0.2 0.926 108.8 55.3 -67.3 -42.4 3.8 2.5 1.7 16 16 A c H 3<>S+ 0 0 16 -4,-2.5 5,-0.8 1,-0.3 -2,-0.2 0.863 106.9 52.0 -55.5 -35.2 2.9 6.2 1.1 17 17 A R H ><5S+ 0 0 92 -4,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.717 84.6 87.8 -76.1 -19.0 5.8 6.5 -1.3 18 18 A L T <<5S+ 0 0 144 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.859 91.2 44.0 -54.4 -44.2 4.9 3.4 -3.4 19 19 A P T 3 5S- 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.539 126.7 -97.7 -75.5 -7.7 2.7 5.4 -5.8 20 20 A G T < 5 + 0 0 56 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.499 61.0 170.9 104.7 9.9 5.3 8.2 -6.0 21 21 A T < - 0 0 44 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.233 44.0 -97.5 -49.9 135.2 3.7 10.6 -3.5 22 22 A S >> - 0 0 74 1,-0.1 4,-2.2 3,-0.1 3,-0.7 -0.175 27.0-121.5 -53.9 145.6 6.1 13.5 -2.7 23 23 A E H 3> S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.853 110.6 60.8 -53.5 -39.0 8.1 13.1 0.5 24 24 A A H 3> S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.871 107.2 43.8 -62.7 -39.5 6.6 16.2 1.9 25 25 A I H <> S+ 0 0 100 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.888 112.4 51.4 -71.2 -40.3 3.1 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 6,-0.4 0.851 107.6 56.9 -64.0 -29.1 4.1 11.5 3.2 27 27 A A H X S+ 0 0 11 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.961 109.5 41.1 -64.4 -53.6 5.8 13.4 6.0 28 28 A T H < S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.820 113.6 56.2 -67.5 -26.4 2.7 15.2 7.2 29 29 A Y H < S+ 0 0 149 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 123.4 22.0 -67.9 -35.3 0.7 12.0 6.7 30 30 A T H < S- 0 0 24 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.601 102.3-110.5-107.6 -21.6 2.9 10.0 9.0 31 31 A G S < S+ 0 0 36 -4,-2.7 -3,-0.1 1,-0.4 -4,-0.1 0.350 73.9 133.1 89.7 0.2 4.8 12.3 11.3 32 32 A b - 0 0 5 -5,-0.4 -1,-0.4 -6,-0.4 2,-0.3 -0.308 45.1-142.0 -68.6 166.4 8.1 11.6 9.6 33 33 A I E -A 3 0A 48 -30,-2.9 -30,-2.4 -3,-0.1 2,-0.5 -0.902 7.0-134.8-132.3 159.0 10.2 14.7 8.8 34 34 A I E -A 2 0A 77 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.969 26.0-178.2-113.7 127.2 12.5 15.8 5.9 35 35 A I - 0 0 36 -34,-2.9 5,-0.0 -2,-0.5 -2,-0.0 -0.913 32.1-133.5-123.6 156.1 15.8 17.4 6.9 36 36 A P S S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.765 89.3 63.5 -77.8 -26.2 18.6 18.8 4.7 37 37 A G S S- 0 0 41 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.036 84.1-123.3 -83.5-169.2 21.3 17.0 6.6 38 38 A A S S+ 0 0 82 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.342 81.3 92.0-119.3 1.4 21.9 13.2 7.0 39 39 A T - 0 0 127 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.862 61.9-154.7-111.1 99.4 21.9 12.9 10.8 40 40 A a - 0 0 47 -2,-0.7 5,-0.1 -38,-0.1 -2,-0.0 -0.438 22.7-117.2 -72.5 139.8 18.5 12.1 12.2 41 41 A P > - 0 0 55 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.269 27.8-100.4 -74.8 164.0 17.9 13.2 15.8 42 42 A G T 3 S+ 0 0 75 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.692 121.4 52.6 -59.3 -25.3 17.3 10.9 18.7 43 43 A D T 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.448 112.2 45.9 -94.3 4.1 13.6 11.5 18.7 44 44 A Y S < S+ 0 0 66 -3,-2.1 -40,-0.3 1,-0.1 -1,-0.2 -0.517 75.4 140.1-132.7 58.4 13.3 10.7 15.0 45 45 A A 0 0 68 -3,-0.5 -3,-0.1 -40,-0.3 -1,-0.1 0.488 360.0 360.0 -87.5 -6.5 15.4 7.6 15.2 46 46 A N 0 0 78 -42,-2.5 -42,-2.5 -3,-0.1 -39,-0.1 -0.257 360.0 360.0-114.0 360.0 13.5 5.3 12.8