==== 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 08-SEP-01 1JXT . 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) . 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 74 0, 0.0 34,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.4 16.9 12.8 4.3 2 2 A T E -A 34 0A 25 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.840 360.0-173.4-106.9 144.2 13.8 11.4 5.9 3 3 A a E -A 33 0A 0 30,-2.4 30,-2.8 -2,-0.4 42,-0.2 -0.998 7.5-156.8-132.5 137.3 13.5 10.7 9.7 4 4 A b - 0 0 0 42,-2.6 42,-2.5 -2,-0.4 28,-0.2 -0.892 18.3-138.8-124.1 147.3 10.6 8.9 11.4 5 5 A P S S+ 0 0 53 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.677 84.5 1.8 -74.3 -22.0 9.4 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 -0.956 76.6-101.0-156.0 166.9 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 0.911 120.1 55.2 -61.9 -44.4 8.8 2.1 13.2 8 8 A V H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 107.0 51.4 -50.3 -49.6 5.1 2.2 12.4 9 9 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 110.7 47.3 -61.3 -43.3 5.5 5.7 11.0 10 10 A R H X S+ 0 0 50 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.916 111.4 50.2 -62.8 -44.0 8.4 4.6 8.8 11 11 A S H X S+ 0 0 65 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.924 112.8 47.8 -60.3 -43.2 6.5 1.6 7.5 12 12 A N H X S+ 0 0 70 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.875 109.9 53.3 -60.2 -43.0 3.5 3.9 6.8 13 13 A F H X S+ 0 0 4 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.916 106.2 52.2 -60.2 -45.2 5.8 6.3 5.0 14 14 A N H X S+ 0 0 86 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.878 110.2 47.8 -64.9 -35.4 7.2 3.6 2.8 15 15 A V H >< S+ 0 0 95 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.928 109.0 54.6 -66.1 -44.5 3.7 2.5 1.7 16 16 A c H 3<>S+ 0 0 16 -4,-2.5 5,-0.8 1,-0.3 -2,-0.2 0.860 106.8 52.8 -54.2 -36.7 2.8 6.2 1.1 17 17 A R H ><5S+ 0 0 92 -4,-2.0 3,-2.1 1,-0.2 -1,-0.3 0.725 85.1 86.3 -73.5 -21.0 5.8 6.4 -1.2 18 18 A L T <<5S+ 0 0 143 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.870 91.8 44.1 -53.8 -44.0 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 0.548 126.7 -98.7 -75.4 -7.0 2.7 5.3 -5.8 20 20 A G T < 5 + 0 0 55 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.493 60.6 171.1 104.0 8.1 5.2 8.1 -6.0 21 21 A T < - 0 0 43 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.216 44.2 -96.5 -49.2 135.3 3.7 10.5 -3.4 22 22 A S >> - 0 0 59 1,-0.1 4,-2.3 3,-0.1 3,-0.6 -0.152 27.2-122.1 -52.6 143.6 6.0 13.4 -2.6 23 23 A E H 3> S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.863 111.0 60.3 -54.0 -36.5 8.0 13.0 0.5 24 24 A A H 3> S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 107.3 44.2 -65.2 -36.9 6.6 16.2 2.0 25 25 A I H <> S+ 0 0 97 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.885 112.7 51.1 -71.3 -41.9 3.0 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 6,-0.4 0.850 107.9 56.1 -63.9 -29.5 4.1 11.4 3.2 27 27 A A H X S+ 0 0 10 -4,-2.4 4,-2.7 -5,-0.2 5,-0.5 0.962 110.2 40.8 -64.5 -54.3 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 0.831 113.9 56.4 -65.9 -26.4 2.7 15.2 7.2 29 29 A Y H < S+ 0 0 149 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 123.4 21.6 -68.3 -33.5 0.7 12.0 6.6 30 30 A T H < S- 0 0 24 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.589 103.0-109.4-110.5 -18.9 2.8 9.9 9.0 31 31 A G S < S+ 0 0 36 -4,-2.7 -3,-0.2 1,-0.4 -4,-0.1 0.383 74.7 133.0 91.1 -2.5 4.7 12.3 11.3 32 32 A b - 0 0 5 -5,-0.5 -1,-0.4 -6,-0.4 2,-0.3 -0.308 44.6-142.8 -66.7 169.2 8.0 11.6 9.6 33 33 A I E -A 3 0A 47 -30,-2.8 -30,-2.4 -3,-0.1 2,-0.4 -0.904 7.7-134.9-136.2 157.4 10.1 14.6 8.7 34 34 A I E -A 2 0A 78 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.973 25.7-179.6-113.4 129.0 12.5 15.8 5.9 35 35 A I - 0 0 37 -34,-2.8 5,-0.1 -2,-0.4 -2,-0.0 -0.935 32.3-133.5-125.6 155.1 15.8 17.4 6.9 36 36 A P S S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.759 88.9 64.3 -77.8 -25.2 18.6 18.8 4.7 37 37 A G S S- 0 0 40 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.080 84.0-124.3 -83.7-172.2 21.3 17.0 6.6 38 38 A A S S+ 0 0 83 1,-0.1 2,-0.8 2,-0.0 -36,-0.1 0.347 81.3 92.8-115.4 2.0 21.9 13.3 7.0 39 39 A T - 0 0 128 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.819 61.5-156.6-109.4 95.0 21.8 13.0 10.8 40 40 A a - 0 0 46 -2,-0.8 5,-0.0 -38,-0.1 -2,-0.0 -0.420 23.0-116.2 -69.6 143.6 18.4 12.2 12.2 41 41 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.263 26.6-100.5 -79.0 166.1 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 0.677 121.6 52.7 -60.2 -26.6 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 0.429 112.6 45.1 -94.6 5.4 13.5 11.5 18.7 44 44 A Y S < S+ 0 0 66 -3,-2.0 -40,-0.3 1,-0.1 -1,-0.2 -0.519 75.6 140.2-133.1 58.8 13.2 10.7 15.0 45 45 A A 0 0 70 -3,-0.5 -3,-0.1 -40,-0.3 -1,-0.1 0.493 360.0 360.0 -86.6 -8.6 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 -0.246 360.0 360.0-111.6 360.0 13.4 5.3 12.8