==== 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 02-MAR-00 1EJG . COMPND 2 MOLECULE: CRAMBIN (PRO22,SER22/LEU25,ILE25); . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR C.JELSCH,M.M.TEETER,V.LAMZIN,V.PICHON-LESME,B.BLESSING,C.LEC . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2932.0 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 0.000 360.0 360.0 360.0 141.5 16.9 12.8 4.2 2 2 A T E -A 34 0A 23 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.857 360.0-172.3-110.2 147.3 13.9 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 7.8-154.6-134.9 137.4 13.6 10.7 9.6 4 4 A b - 0 0 0 42,-2.5 42,-2.5 -2,-0.4 28,-0.2 -0.898 17.7-138.4-123.0 148.0 10.7 8.9 11.3 5 5 A P S S+ 0 0 54 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.675 84.0 0.1 -76.8 -19.4 9.5 9.1 14.9 6 6 A S S > S- 0 0 50 38,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.959 77.1 -97.0-156.0 168.4 8.8 5.3 15.2 7 7 A I H > S+ 0 0 109 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.927 120.8 52.6 -52.6 -53.6 8.8 2.0 13.3 8 8 A V H > S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 107.5 52.9 -53.2 -49.3 5.1 2.3 12.4 9 9 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 110.2 46.6 -61.1 -42.0 5.6 5.7 11.0 10 10 A R H X S+ 0 0 51 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.918 112.2 50.0 -63.0 -44.6 8.5 4.6 8.7 11 11 A S H X S+ 0 0 65 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.928 112.9 47.6 -60.1 -42.1 6.5 1.6 7.5 12 12 A N H X S+ 0 0 69 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.882 110.3 53.0 -60.7 -43.8 3.6 3.9 6.8 13 13 A F H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.920 106.8 51.6 -59.7 -45.6 5.9 6.3 5.0 14 14 A N H X S+ 0 0 86 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.875 111.3 46.9 -66.0 -35.1 7.3 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 0.931 109.5 54.7 -67.3 -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,-0.3 -2,-0.2 0.865 107.1 52.1 -54.1 -36.8 2.9 6.2 1.1 17 17 A R H ><5S+ 0 0 91 -4,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.711 85.5 86.9 -74.7 -20.9 5.8 6.5 -1.2 18 18 A L T <<5S+ 0 0 142 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.873 91.9 43.4 -53.0 -45.5 5.0 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 0.568 126.8 -98.7 -75.7 -6.2 2.7 5.3 -5.8 20 20 A G T < 5 + 0 0 52 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.490 60.9 169.5 104.4 8.6 5.2 8.2 -6.0 21 21 A T < - 0 0 39 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.221 45.1 -95.8 -51.9 137.1 3.7 10.6 -3.5 22 22 A P >> - 0 0 76 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.228 26.1-121.4 -53.7 147.1 6.0 13.4 -2.6 23 23 A E H 3> S+ 0 0 68 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.834 111.5 59.1 -55.0 -40.3 8.1 13.0 0.5 24 24 A A H 3> S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.880 108.0 44.0 -64.2 -38.1 6.6 16.2 2.0 25 25 A L H <> S+ 0 0 105 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.888 113.2 51.0 -70.0 -41.7 3.0 14.8 1.8 26 26 A c H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 6,-0.4 0.860 107.8 56.2 -63.9 -29.7 4.1 11.5 3.2 27 27 A A H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.2 5,-0.4 0.965 110.3 41.1 -65.1 -53.5 5.8 13.4 6.0 28 28 A T H < S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 114.8 54.8 -66.4 -27.4 2.7 15.2 7.2 29 29 A Y H < S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 123.4 22.9 -67.5 -36.3 0.7 12.0 6.6 30 30 A T H < S- 0 0 22 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.608 102.9-110.2-106.7 -20.9 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 0.315 75.1 131.5 93.2 -7.1 4.7 12.2 11.3 32 32 A b - 0 0 4 -6,-0.4 -1,-0.4 -5,-0.4 2,-0.3 -0.296 44.9-144.0 -67.4 168.3 8.1 11.6 9.6 33 33 A I E -A 3 0A 48 -30,-2.8 -30,-2.4 -3,-0.1 2,-0.5 -0.902 8.2-132.5-135.2 159.6 10.2 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 -0.966 25.8-177.9-113.2 130.6 12.5 15.8 5.9 35 35 A I - 0 0 34 -34,-2.8 5,-0.0 -2,-0.5 -2,-0.0 -0.917 31.7-134.3-125.1 155.7 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 0.747 88.4 66.3 -79.5 -25.6 18.6 18.8 4.7 37 37 A G S S- 0 0 42 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.042 84.3-123.0 -79.4-169.1 21.3 17.0 6.6 38 38 A A S S+ 0 0 81 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.367 82.3 87.2-118.0 -2.0 22.0 13.3 6.8 39 39 A T - 0 0 125 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.890 62.6-153.1-114.5 106.7 21.8 12.8 10.6 40 40 A a - 0 0 45 -2,-0.7 5,-0.1 -38,-0.1 -2,-0.0 -0.500 22.6-117.2 -77.1 143.6 18.5 12.1 12.1 41 41 A P > - 0 0 55 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.252 28.4 -99.5 -78.1 169.2 18.0 13.1 15.8 42 42 A G T 3 S+ 0 0 74 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.664 122.0 52.7 -64.1 -21.8 17.2 10.8 18.7 43 43 A D T 3 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.414 113.6 43.9 -94.4 0.3 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 -0.509 76.7 140.3-131.7 57.9 13.3 10.7 14.9 45 45 A A 0 0 69 -3,-0.5 -3,-0.1 -40,-0.3 -5,-0.1 0.465 360.0 360.0 -85.0 -7.6 15.4 7.6 15.2 46 46 A N 0 0 73 -42,-2.5 -42,-2.5 -3,-0.1 -39,-0.1 -0.298 360.0 360.0-112.7 360.0 13.5 5.3 12.8