==== 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 SEED PROTEIN 11-OCT-91 1CBN . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR M.M.TEETER,S.M.ROE,N.H.HEO . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2935.0 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,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.8 16.9 12.8 4.2 2 2 A T E -A 34 0A 21 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.859 360.0-172.1-110.5 147.0 13.8 11.5 5.9 3 3 A a E -A 33 0A 0 30,-2.4 30,-2.8 -2,-0.4 42,-0.2 -0.996 7.8-155.6-133.4 137.9 13.6 10.7 9.7 4 4 A b - 0 0 0 42,-2.5 42,-2.6 -2,-0.4 28,-0.2 -0.897 17.6-138.7-122.3 147.8 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 0.685 84.5 3.9 -77.2 -18.6 9.5 9.0 14.9 6 6 A S S > S- 0 0 50 38,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.960 77.6-100.6-156.3 167.6 8.7 5.3 15.2 7 7 A I H > S+ 0 0 117 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.921 120.3 51.7 -60.6 -48.6 8.9 2.1 13.3 8 8 A V H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 106.4 54.2 -58.4 -40.3 5.2 2.2 12.3 9 9 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 110.1 47.1 -61.0 -41.8 5.6 5.7 11.0 10 10 A R H X S+ 0 0 52 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.919 111.1 50.9 -63.3 -45.2 8.5 4.6 8.8 11 11 A S H X S+ 0 0 64 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.935 112.8 46.5 -59.3 -41.6 6.5 1.5 7.5 12 12 A N H X S+ 0 0 72 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.886 110.2 54.1 -66.8 -37.6 3.5 3.8 6.7 13 13 A F H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.925 106.6 51.3 -61.0 -44.9 5.9 6.3 5.0 14 14 A N H X S+ 0 0 86 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.877 111.0 47.1 -65.9 -34.9 7.3 3.6 2.8 15 15 A V H >< S+ 0 0 94 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.932 109.2 55.3 -68.8 -43.7 3.8 2.5 1.7 16 16 A c H 3<>S+ 0 0 16 -4,-2.6 5,-0.8 1,-0.3 -2,-0.2 0.853 106.9 51.7 -53.0 -38.2 2.8 6.2 1.1 17 17 A R H ><5S+ 0 0 93 -4,-2.0 3,-1.9 1,-0.2 -1,-0.3 0.692 85.1 87.1 -74.0 -21.6 5.8 6.4 -1.2 18 18 A L T <<5S+ 0 0 142 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.877 92.0 43.8 -51.3 -45.5 4.9 3.4 -3.4 19 19 A P T 3 5S- 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.552 126.8 -98.9 -75.4 -6.8 2.6 5.3 -5.8 20 20 A G T < 5 + 0 0 56 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.502 60.4 170.6 103.4 9.3 5.2 8.2 -6.0 21 21 A T < - 0 0 42 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.244 44.7 -96.3 -50.2 135.5 3.7 10.6 -3.5 22 22 A S >> - 0 0 60 1,-0.1 4,-2.4 3,-0.1 3,-0.6 -0.158 27.0-121.8 -52.4 144.5 6.0 13.5 -2.6 23 23 A E H 3> S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.866 111.2 60.5 -54.3 -38.0 8.1 13.0 0.5 24 24 A A H 3> S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 107.5 43.5 -63.8 -38.6 6.6 16.2 2.0 25 25 A I H <> S+ 0 0 96 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.903 113.1 51.2 -71.5 -39.1 3.0 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 6,-0.4 0.847 107.8 56.2 -65.7 -30.0 4.1 11.4 3.2 27 27 A A H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.2 3,-0.4 0.963 110.2 41.2 -61.9 -55.9 5.8 13.3 6.0 28 28 A T H < S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 114.1 55.2 -64.8 -27.9 2.7 15.2 7.2 29 29 A Y H < S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 123.2 23.0 -68.2 -34.0 0.7 12.0 6.7 30 30 A T H < S- 0 0 25 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.606 102.9-109.6-107.1 -18.0 2.9 9.9 8.9 31 31 A G S < S+ 0 0 36 -4,-2.6 -3,-0.1 1,-0.4 -4,-0.1 0.287 75.4 132.1 91.0 -5.2 4.7 12.2 11.3 32 32 A b - 0 0 5 -6,-0.4 -1,-0.4 -5,-0.4 2,-0.3 -0.243 44.7-143.9 -66.6 168.5 8.1 11.6 9.6 33 33 A I E -A 3 0A 47 -30,-2.8 -30,-2.4 -3,-0.1 2,-0.5 -0.918 7.9-133.0-136.4 159.0 10.2 14.6 8.7 34 34 A I E -A 2 0A 79 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.968 25.9-178.0-113.0 130.8 12.5 15.8 5.9 35 35 A I - 0 0 33 -34,-2.8 5,-0.0 -2,-0.5 -2,-0.0 -0.918 31.7-133.6-125.4 156.1 15.8 17.4 6.8 36 36 A P S S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.743 89.2 62.2 -76.7 -26.1 18.5 18.8 4.6 37 37 A G S S- 0 0 41 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.040 85.1-121.2 -84.7-168.0 21.3 17.0 6.5 38 38 A A S S+ 0 0 82 1,-0.1 2,-0.7 -2,-0.0 -36,-0.1 0.373 81.3 90.0-118.3 -0.2 21.9 13.3 6.9 39 39 A T - 0 0 127 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.869 61.3-153.9-113.9 105.7 21.8 12.9 10.6 40 40 A a - 0 0 45 -2,-0.7 -38,-0.0 -38,-0.1 -2,-0.0 -0.536 21.9-117.4 -76.6 143.9 18.4 12.1 12.2 41 41 A P > - 0 0 56 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.196 28.6-100.9 -77.3 167.5 17.9 13.2 15.8 42 42 A G T 3 S+ 0 0 76 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.656 121.7 53.5 -64.9 -21.5 17.2 10.8 18.7 43 43 A D T 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.447 113.0 44.3 -94.4 2.7 13.5 11.5 18.7 44 44 A Y S < S+ 0 0 68 -3,-2.0 -40,-0.3 1,-0.1 -1,-0.2 -0.540 76.3 140.2-132.5 57.4 13.2 10.7 15.0 45 45 A A 0 0 69 -3,-0.4 -3,-0.1 -40,-0.3 -5,-0.1 0.486 360.0 360.0 -85.8 -8.0 15.4 7.6 15.2 46 46 A N 0 0 76 -42,-2.6 -42,-2.5 -3,-0.1 -39,-0.1 -0.308 360.0 360.0-112.2 360.0 13.5 5.3 12.8