==== 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 1JXW . 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) . 2942.0 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 73 0, 0.0 34,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.4 16.9 12.8 4.2 2 2 A T E -A 34 0A 24 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.862 360.0-174.9-110.0 141.4 13.8 11.3 5.9 3 3 A a E -A 33 0A 0 30,-2.4 30,-3.0 -2,-0.4 42,-0.2 -0.998 8.4-157.1-131.2 135.9 13.6 10.6 9.6 4 4 A b - 0 0 0 42,-2.6 42,-2.5 -2,-0.4 28,-0.1 -0.876 18.7-138.6-122.3 147.6 10.7 8.9 11.3 5 5 A P S S+ 0 0 53 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.684 84.6 1.7 -75.1 -21.2 9.5 9.0 14.9 6 6 A S S > S- 0 0 48 38,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.963 76.5-100.8-155.6 167.5 8.7 5.3 15.2 7 7 A I H > S+ 0 0 118 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.913 120.2 55.2 -62.2 -44.4 8.8 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 0.889 107.3 50.9 -51.3 -48.8 5.1 2.3 12.4 9 9 A A H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.7 47.8 -60.6 -45.3 5.6 5.7 11.0 10 10 A R H X S+ 0 0 51 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 111.6 49.5 -60.2 -44.8 8.5 4.6 8.8 11 11 A S H X S+ 0 0 64 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.929 112.8 48.0 -62.1 -41.3 6.5 1.6 7.5 12 12 A N H X S+ 0 0 72 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.872 109.8 53.3 -61.5 -42.3 3.5 3.9 6.8 13 13 A F H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 106.3 52.0 -59.1 -46.5 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 0.863 110.5 47.6 -65.0 -35.7 7.2 3.6 2.7 15 15 A V H >< S+ 0 0 95 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.924 108.8 55.0 -67.1 -43.8 3.8 2.5 1.7 16 16 A c H 3<>S+ 0 0 17 -4,-2.4 5,-0.8 1,-0.3 -2,-0.2 0.857 106.9 52.4 -53.2 -37.3 2.8 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 0.710 84.8 87.3 -74.5 -19.1 5.8 6.5 -1.3 18 18 A L T <<5S+ 0 0 144 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.869 91.4 43.9 -55.3 -43.8 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 0.560 126.6 -98.7 -76.1 -6.2 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 0.470 60.7 171.2 102.9 10.1 5.2 8.2 -6.0 21 21 A T < - 0 0 43 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.202 44.1 -96.0 -51.1 135.2 3.7 10.6 -3.5 22 22 A S >> - 0 0 59 1,-0.1 4,-2.3 3,-0.1 3,-0.6 -0.165 27.2-121.9 -52.5 143.1 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 0.861 110.9 59.8 -52.4 -39.3 8.1 13.0 0.5 24 24 A A H 3> S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 107.3 44.6 -64.4 -37.1 6.6 16.2 2.0 25 25 A I H <> S+ 0 0 98 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.896 112.4 51.0 -71.7 -41.1 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 0.846 107.9 56.6 -63.7 -30.5 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 3,-0.4 0.960 109.8 40.9 -63.5 -52.9 5.8 13.4 6.0 28 28 A T H < S+ 0 0 121 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.8 56.5 -68.0 -25.8 2.7 15.2 7.1 29 29 A Y H < S+ 0 0 150 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 123.5 21.4 -68.2 -34.3 0.7 12.0 6.6 30 30 A T H < S- 0 0 24 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.596 102.5-109.8-109.4 -20.6 2.9 10.0 9.0 31 31 A G S < S+ 0 0 36 -4,-2.7 -3,-0.1 1,-0.3 -4,-0.1 0.357 74.0 133.5 91.0 -2.3 4.8 12.3 11.3 32 32 A b - 0 0 5 -5,-0.4 -1,-0.3 -6,-0.4 2,-0.3 -0.277 45.1-140.9 -67.4 167.9 8.1 11.6 9.6 33 33 A I E -A 3 0A 45 -30,-3.0 -30,-2.4 -3,-0.1 2,-0.5 -0.904 6.5-136.8-132.8 156.8 10.2 14.6 8.7 34 34 A I E -A 2 0A 76 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.974 26.3-179.3-113.2 127.4 12.5 15.7 5.9 35 35 A I - 0 0 36 -34,-2.8 5,-0.0 -2,-0.5 -2,-0.0 -0.918 33.1-133.0-124.3 157.2 15.8 17.3 6.8 36 36 A P S S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.741 88.0 67.7 -78.8 -26.6 18.6 18.7 4.6 37 37 A G S S- 0 0 41 2,-0.1 -2,-0.2 -36,-0.1 3,-0.1 -0.061 83.3-124.4 -80.8-174.4 21.3 16.9 6.6 38 38 A A S S+ 0 0 86 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.405 82.7 90.5-113.7 0.4 22.0 13.1 6.8 39 39 A T - 0 0 125 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.868 62.6-154.2-111.6 99.4 21.9 12.8 10.6 40 40 A a - 0 0 49 -2,-0.7 5,-0.1 -38,-0.1 -2,-0.0 -0.418 22.6-117.9 -75.0 144.1 18.5 12.0 12.1 41 41 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.273 26.7-101.0 -77.8 165.5 18.0 13.1 15.7 42 42 A G T 3 S+ 0 0 76 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.699 121.2 52.2 -61.2 -23.4 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 0.443 112.7 45.3 -98.4 5.8 13.6 11.6 18.7 44 44 A Y S < S+ 0 0 67 -3,-2.0 -40,-0.3 1,-0.1 -1,-0.2 -0.534 75.6 141.5-133.7 60.3 13.3 10.7 15.0 45 45 A A 0 0 69 -3,-0.5 -3,-0.1 -40,-0.3 -2,-0.1 0.487 360.0 360.0 -88.3 -6.3 15.4 7.6 15.2 46 46 A N 0 0 77 -42,-2.5 -42,-2.6 -3,-0.1 -39,-0.1 -0.257 360.0 360.0-113.4 360.0 13.5 5.3 12.8