==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 23-MAY-12 4FC1 . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR A.Y.KOVALEVSKY,J.C.-H.CHEN . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3074.0 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,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.6 -6.8 -3.2 -3.4 2 2 A T E -A 34 0A 17 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.845 360.0-172.7-103.9 140.5 -5.1 -1.8 -6.6 3 3 A a E -A 33 0A 0 30,-2.2 30,-2.9 -2,-0.4 42,-0.2 -0.997 8.4-156.1-131.4 129.6 -1.4 -1.0 -6.7 4 4 A b - 0 0 0 42,-2.3 42,-2.4 -2,-0.4 28,-0.1 -0.852 17.4-137.7-116.4 143.8 0.2 0.8 -9.7 5 5 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 40,-0.2 0.642 84.0 2.7 -76.1 -13.1 3.9 0.6 -10.9 6 6 A S S > S- 0 0 49 1,-0.1 4,-1.7 38,-0.1 5,-0.1 -0.966 78.0-100.5-159.8 167.3 4.2 4.4 -11.6 7 7 A I H > S+ 0 0 112 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.923 120.8 52.8 -61.3 -45.4 2.2 7.6 -11.4 8 8 A V H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.917 106.1 54.7 -58.0 -41.7 1.3 7.6 -15.1 9 9 A A H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 109.5 46.9 -61.5 -41.8 0.0 4.0 -14.7 10 10 A R H X S+ 0 0 56 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.897 110.3 51.7 -66.9 -41.8 -2.3 5.1 -11.9 11 11 A S H X S+ 0 0 63 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.930 112.3 47.1 -61.7 -41.2 -3.6 8.2 -13.9 12 12 A N H X S+ 0 0 102 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.891 109.7 54.2 -65.7 -38.1 -4.4 5.8 -16.8 13 13 A F H X S+ 0 0 5 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.934 106.8 50.8 -61.7 -47.0 -6.1 3.4 -14.5 14 14 A N H X S+ 0 0 106 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.880 111.7 46.7 -60.8 -37.6 -8.4 6.1 -13.1 15 15 A V H >< S+ 0 0 94 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.924 109.4 55.3 -68.1 -43.8 -9.4 7.2 -16.7 16 16 A c H 3<>S+ 0 0 23 -4,-2.5 5,-0.7 1,-0.2 -2,-0.2 0.865 107.8 50.9 -53.3 -40.6 -10.0 3.5 -17.6 17 17 A R H ><5S+ 0 0 124 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.694 85.2 88.4 -75.9 -16.9 -12.4 3.2 -14.7 18 18 A L T <<5S+ 0 0 145 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 0.869 90.7 43.5 -56.4 -45.1 -14.5 6.2 -15.5 19 19 A P T 3 5S- 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.560 127.4 -96.6 -76.7 -3.2 -17.0 4.4 -17.8 20 20 A G T < 5 + 0 0 50 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.460 61.5 169.9 106.1 7.0 -17.2 1.5 -15.3 21 21 A T < - 0 0 40 -5,-0.7 -1,-0.2 1,-0.1 5,-0.1 -0.129 44.3 -99.2 -52.4 134.2 -14.6 -0.9 -16.8 22 22 A P >> - 0 0 72 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.255 26.2-119.9 -59.7 147.9 -13.9 -3.8 -14.4 23 23 A E H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.854 110.0 60.2 -54.4 -40.4 -10.7 -3.4 -12.4 24 24 A A H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 107.1 45.1 -62.6 -37.5 -9.2 -6.6 -13.9 25 25 A L H <> S+ 0 0 107 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.895 113.2 49.5 -73.9 -36.4 -9.4 -5.3 -17.4 26 26 A c H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 6,-0.4 0.784 107.7 58.6 -71.0 -25.6 -7.9 -1.9 -16.4 27 27 A A H X S+ 0 0 11 -4,-1.8 4,-2.4 -5,-0.2 5,-0.4 0.952 108.4 40.9 -68.9 -52.2 -5.2 -3.8 -14.6 28 28 A T H < S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.819 115.7 53.8 -68.4 -24.5 -3.9 -5.6 -17.7 29 29 A Y H < S+ 0 0 185 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.879 122.4 25.4 -73.2 -34.6 -4.3 -2.5 -19.8 30 30 A T H < S- 0 0 20 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.654 103.6-112.9-107.4 -20.3 -2.2 -0.2 -17.5 31 31 A G S < S+ 0 0 36 -4,-2.4 -3,-0.1 1,-0.4 -4,-0.1 0.303 72.7 131.8 92.8 -3.6 0.2 -2.6 -15.7 32 32 A b - 0 0 5 -6,-0.4 -1,-0.4 -5,-0.4 2,-0.3 -0.349 45.0-143.6 -70.4 165.5 -1.5 -2.0 -12.3 33 33 A I E -A 3 0A 50 -30,-2.9 -30,-2.2 -3,-0.1 2,-0.4 -0.854 5.7-133.1-132.2 161.1 -2.3 -5.1 -10.2 34 34 A I E -A 2 0A 76 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.986 23.9-177.6-118.1 127.5 -5.0 -6.2 -7.8 35 35 A I - 0 0 37 -34,-2.8 5,-0.0 -2,-0.4 -2,-0.0 -0.889 32.1-130.9-123.7 151.5 -4.2 -7.8 -4.4 36 36 A P S S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.776 89.6 63.4 -71.1 -23.9 -6.5 -9.2 -1.7 37 37 A G S S- 0 0 40 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.040 84.8-120.5 -87.3-166.1 -4.7 -7.3 1.0 38 38 A A S S+ 0 0 80 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.349 83.3 87.5-118.9 0.4 -4.3 -3.6 1.7 39 39 A T - 0 0 126 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.856 62.8-154.3-113.3 103.6 -0.5 -3.2 1.6 40 40 A a - 0 0 45 -2,-0.7 5,-0.1 -38,-0.1 -2,-0.0 -0.476 23.7-113.2 -74.3 143.2 1.0 -2.6 -1.9 41 41 A P > - 0 0 55 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.225 28.8-102.6 -73.5 170.2 4.6 -3.6 -2.4 42 42 A G T 3 S+ 0 0 75 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.701 119.8 53.1 -69.9 -22.0 7.4 -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 0.460 112.4 46.8 -92.5 -0.4 7.7 -1.7 -6.7 44 44 A Y S < S+ 0 0 68 -3,-1.5 -40,-0.3 1,-0.1 -1,-0.2 -0.523 76.1 141.3-127.1 57.4 3.9 -1.0 -7.1 45 45 A A 0 0 66 -3,-0.5 -3,-0.1 -40,-0.2 -1,-0.1 0.418 360.0 360.0 -86.0 -3.9 4.1 2.1 -4.9 46 46 A N 0 0 86 -42,-2.4 -42,-2.3 -3,-0.1 -39,-0.1 -0.292 360.0 360.0-117.1 360.0 1.6 4.3 -6.8