==== 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 09-SEP-01 1JXU . 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) . 2963.0 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 75 0, 0.0 34,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.8 16.9 12.8 4.3 2 2 A T E -A 34 0A 22 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.867 360.0-173.6-103.6 140.2 13.8 11.4 6.0 3 3 A a E -A 33 0A 0 30,-2.3 30,-3.0 -2,-0.4 42,-0.2 -0.997 8.3-156.2-128.3 136.4 13.6 10.7 9.7 4 4 A b - 0 0 0 42,-2.6 42,-2.6 -2,-0.4 28,-0.1 -0.888 18.3-139.1-119.7 148.5 10.7 8.9 11.4 5 5 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 40,-0.3 0.609 84.1 2.3 -71.3 -25.2 9.4 9.0 15.0 6 6 A S S > S- 0 0 49 38,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.954 75.8-101.5-154.3 167.9 8.7 5.3 15.2 7 7 A I H > S+ 0 0 120 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.903 120.9 54.1 -63.1 -46.8 8.9 2.0 13.3 8 8 A V H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 107.0 51.0 -53.3 -47.4 5.1 2.2 12.5 9 9 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 110.8 48.6 -58.7 -43.5 5.6 5.7 11.0 10 10 A R H X S+ 0 0 54 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.897 110.6 50.3 -60.4 -46.1 8.5 4.5 8.8 11 11 A S H X S+ 0 0 64 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.927 112.8 46.7 -60.6 -44.6 6.5 1.6 7.6 12 12 A N H X S+ 0 0 72 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.867 109.7 54.7 -62.4 -41.3 3.5 3.9 6.7 13 13 A F H X S+ 0 0 5 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.909 106.4 51.0 -55.4 -47.3 5.9 6.3 5.0 14 14 A N H X S+ 0 0 85 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.867 110.8 47.6 -63.9 -36.1 7.3 3.6 2.8 15 15 A V H >< S+ 0 0 96 -4,-1.6 3,-1.2 2,-0.2 -1,-0.2 0.933 109.1 54.6 -67.8 -45.8 3.8 2.5 1.7 16 16 A c H 3<>S+ 0 0 16 -4,-2.5 5,-0.8 1,-0.2 -2,-0.2 0.846 107.2 52.2 -53.0 -34.0 2.9 6.2 1.1 17 17 A R H ><5S+ 0 0 94 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.686 85.4 86.8 -77.9 -19.9 5.9 6.4 -1.3 18 18 A L T <<5S+ 0 0 141 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.831 91.2 43.5 -58.4 -40.9 5.0 3.4 -3.4 19 19 A P T 3 5S- 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.596 126.2 -99.3 -76.5 -8.6 2.7 5.4 -5.8 20 20 A G T < 5 + 0 0 53 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.525 59.7 172.3 100.9 14.0 5.3 8.1 -6.0 21 21 A T < - 0 0 44 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.204 44.2 -98.3 -51.4 134.9 3.7 10.6 -3.5 22 22 A S >> - 0 0 75 1,-0.1 4,-2.1 3,-0.1 3,-0.6 -0.228 28.7-119.5 -59.0 145.9 6.1 13.5 -2.7 23 23 A E H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.858 111.1 61.3 -50.8 -39.7 8.1 13.0 0.5 24 24 A A H 3> S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 106.4 43.8 -62.4 -41.4 6.6 16.2 1.9 25 25 A I H <> S+ 0 0 101 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.873 113.2 50.8 -68.2 -39.5 3.1 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 6,-0.4 0.817 107.0 58.1 -64.3 -32.7 4.1 11.5 3.1 27 27 A A H X S+ 0 0 11 -4,-2.6 4,-2.8 -5,-0.2 5,-0.4 0.965 109.3 40.4 -58.2 -56.7 5.8 13.4 6.0 28 28 A T H < S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 113.9 56.7 -65.2 -28.5 2.7 15.2 7.1 29 29 A Y H < S+ 0 0 154 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 123.0 21.8 -65.1 -36.5 0.7 12.0 6.6 30 30 A T H < S- 0 0 25 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.589 102.2-110.2-106.5 -24.3 2.9 9.9 8.9 31 31 A G S < S+ 0 0 35 -4,-2.8 -3,-0.1 1,-0.4 -4,-0.1 0.344 74.3 133.0 92.9 -4.0 4.7 12.3 11.3 32 32 A b - 0 0 5 -5,-0.4 -1,-0.4 -6,-0.4 2,-0.3 -0.318 45.0-142.4 -67.4 167.5 8.1 11.6 9.6 33 33 A I E -A 3 0A 47 -30,-3.0 -30,-2.3 -3,-0.1 2,-0.5 -0.899 7.5-133.9-134.6 160.0 10.2 14.7 8.7 34 34 A I E -A 2 0A 78 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.964 26.1-177.1-114.2 125.1 12.5 15.8 5.9 35 35 A I - 0 0 37 -34,-2.9 5,-0.0 -2,-0.5 -2,-0.0 -0.922 31.0-133.7-118.3 156.1 15.8 17.4 7.0 36 36 A P S S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.805 89.6 59.7 -77.6 -27.3 18.6 18.9 4.7 37 37 A G S S- 0 0 42 2,-0.1 -2,-0.2 -36,-0.1 3,-0.1 0.037 86.1-120.0 -82.0-168.0 21.3 17.0 6.5 38 38 A A S S+ 0 0 79 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.368 81.4 92.2-120.5 6.2 21.9 13.3 7.0 39 39 A T - 0 0 125 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.903 60.8-155.2-115.0 100.7 21.8 12.9 10.8 40 40 A a - 0 0 46 -2,-0.7 5,-0.0 -38,-0.1 -38,-0.0 -0.458 22.5-117.4 -70.5 141.3 18.4 12.2 12.2 41 41 A P > - 0 0 55 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.246 28.6 -99.7 -75.5 166.0 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 0.712 121.7 53.1 -61.7 -21.6 17.2 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 0.415 112.5 46.0 -94.2 1.1 13.5 11.5 18.7 44 44 A Y S < S+ 0 0 67 -3,-2.4 -40,-0.3 1,-0.1 -1,-0.2 -0.514 75.2 139.0-131.8 60.7 13.3 10.7 15.0 45 45 A A 0 0 68 -3,-0.5 -3,-0.1 -40,-0.3 -2,-0.1 0.436 360.0 360.0 -87.3 -8.4 15.4 7.6 15.2 46 46 A N 0 0 77 -42,-2.6 -42,-2.6 -3,-0.1 -39,-0.1 -0.324 360.0 360.0-113.9 360.0 13.5 5.3 12.8