==== 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 1JXX . 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) . 2955.0 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 0.000 360.0 360.0 360.0 140.8 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 -0.849 360.0-174.1-106.6 143.5 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 7.9-157.0-133.5 136.3 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 -0.884 18.5-138.4-123.9 148.2 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 0.686 84.5 2.3 -76.4 -21.3 9.5 9.0 15.0 6 6 A S S > S- 0 0 49 38,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.957 76.4-101.6-155.8 168.0 8.7 5.3 15.2 7 7 A I H > S+ 0 0 117 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.914 120.2 55.3 -64.6 -42.2 8.9 2.1 13.2 8 8 A V H > S+ 0 0 101 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.896 107.0 51.3 -51.5 -48.8 5.1 2.2 12.4 9 9 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 110.6 47.8 -60.8 -45.1 5.6 5.7 11.0 10 10 A R H X S+ 0 0 54 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.919 111.2 50.0 -59.9 -45.6 8.4 4.6 8.8 11 11 A S H X S+ 0 0 63 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.921 112.7 47.8 -60.2 -43.6 6.5 1.6 7.5 12 12 A N H X S+ 0 0 75 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.875 110.0 53.3 -59.7 -42.6 3.5 3.9 6.8 13 13 A F H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.913 106.3 51.9 -60.7 -45.0 5.9 6.3 5.0 14 14 A N H X S+ 0 0 85 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.879 110.6 47.5 -66.5 -34.7 7.3 3.6 2.8 15 15 A V H >< S+ 0 0 93 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.930 108.9 55.0 -67.9 -43.9 3.8 2.5 1.7 16 16 A c H 3<>S+ 0 0 17 -4,-2.6 5,-0.8 1,-0.2 -2,-0.2 0.848 106.7 52.7 -53.8 -36.6 2.8 6.2 1.1 17 17 A R H ><5S+ 0 0 93 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.713 84.6 87.3 -75.7 -18.5 5.8 6.5 -1.2 18 18 A L T <<5S+ 0 0 142 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.859 91.3 44.0 -54.1 -43.7 4.9 3.4 -3.4 19 19 A P T 3 5S- 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.548 126.6 -98.6 -77.0 -7.6 2.7 5.4 -5.8 20 20 A G T < 5 + 0 0 55 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.489 60.7 171.0 104.3 11.1 5.3 8.1 -6.0 21 21 A T < - 0 0 43 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.206 44.1 -96.2 -51.9 135.9 3.7 10.6 -3.5 22 22 A S >> - 0 0 71 1,-0.1 4,-2.3 3,-0.1 3,-0.7 -0.177 27.2-121.9 -53.1 144.0 6.0 13.5 -2.6 23 23 A E H 3> S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.852 110.7 60.2 -53.1 -38.1 8.1 13.0 0.5 24 24 A A H 3> S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 107.3 44.3 -64.6 -38.9 6.6 16.2 2.0 25 25 A I H <> S+ 0 0 102 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.888 112.5 51.3 -69.9 -41.2 3.1 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 6,-0.4 0.849 107.8 56.4 -63.9 -29.8 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,-0.5 0.959 109.8 41.2 -64.6 -52.4 5.8 13.4 6.0 28 28 A T H < S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 113.5 56.5 -67.6 -26.7 2.7 15.2 7.1 29 29 A Y H < S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 123.4 21.6 -67.9 -34.9 0.7 12.0 6.6 30 30 A T H < S- 0 0 27 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.592 102.5-109.4-109.2 -19.4 2.9 10.0 9.0 31 31 A G S < S+ 0 0 36 -4,-2.7 -3,-0.2 1,-0.3 -4,-0.1 0.407 74.3 133.2 91.8 -3.5 4.7 12.3 11.3 32 32 A b - 0 0 5 -5,-0.5 -1,-0.3 -6,-0.4 2,-0.3 -0.313 44.7-142.4 -67.9 166.2 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 -0.902 6.9-135.4-132.7 157.9 10.2 14.6 8.8 34 34 A I E -A 2 0A 77 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.973 25.6-178.8-113.6 128.1 12.5 15.8 6.0 35 35 A I - 0 0 36 -34,-2.9 5,-0.0 -2,-0.5 -2,-0.0 -0.924 32.5-133.1-124.7 156.3 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 0.754 89.1 64.7 -77.4 -26.8 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 -0.070 83.6-124.1 -81.3-170.2 21.3 16.9 6.6 38 38 A A S S+ 0 0 83 1,-0.1 2,-0.8 2,-0.0 -36,-0.1 0.360 81.5 91.3-117.0 -0.3 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 -0.858 62.1-155.3-109.2 99.5 21.9 12.9 10.8 40 40 A a - 0 0 46 -2,-0.8 5,-0.1 -38,-0.1 -2,-0.0 -0.443 22.6-116.6 -73.0 141.9 18.5 12.1 12.2 41 41 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.262 27.4-100.4 -75.9 165.4 17.9 13.2 15.8 42 42 A G T 3 S+ 0 0 74 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.685 121.4 52.3 -60.0 -25.5 17.2 10.9 18.7 43 43 A D T 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.435 112.3 46.0 -95.3 5.6 13.5 11.5 18.7 44 44 A Y S < S+ 0 0 67 -3,-2.0 -40,-0.3 1,-0.1 -1,-0.2 -0.516 75.4 140.1-133.5 59.4 13.3 10.7 15.0 45 45 A A 0 0 69 -3,-0.5 -3,-0.1 -40,-0.3 -1,-0.1 0.485 360.0 360.0 -87.4 -7.2 15.4 7.6 15.2 46 46 A N 0 0 77 -42,-2.5 -42,-2.5 -3,-0.1 -39,-0.1 -0.262 360.0 360.0-113.0 360.0 13.5 5.3 12.8