==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT SEED PROTEIN 14-APR-93 1CCM . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR A.M.J.J.BONVIN,J.A.C.RULLMANN,R.M.J.N.LAMERICHS,R.BOELENS, . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 63.0 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 . 5 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 34.8 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 58 0, 0.0 34,-2.5 0, 0.0 2,-2.1 0.000 360.0 360.0 360.0 126.9 -3.3 -6.1 3.5 2 2 A T E -A 34 0A 24 32,-0.2 32,-0.2 30,-0.1 38,-0.1 -0.195 360.0-174.1 -77.4 51.7 -1.8 -3.2 1.5 3 3 A a E -A 33 0A 0 -2,-2.1 30,-3.2 30,-0.9 42,-0.2 -0.127 1.9-169.5 -61.2 116.3 0.0 -5.2 -1.1 4 4 A b - 0 0 0 40,-0.5 42,-0.7 28,-0.2 6,-0.2 -0.954 27.7-127.4-116.6 138.4 2.1 -2.8 -3.3 5 5 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 40,-0.2 0.504 87.9 14.5 -73.0 -1.8 3.9 -3.9 -6.5 6 6 A S S > S- 0 0 38 38,-0.2 4,-2.6 40,-0.1 40,-0.3 -0.981 73.3-113.0-156.9 167.7 7.3 -2.6 -5.4 7 7 A I H > S+ 0 0 114 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.793 122.2 52.1 -68.7 -23.4 9.3 -1.3 -2.4 8 8 A V H > S+ 0 0 79 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.895 109.4 49.8 -79.7 -40.6 9.3 2.2 -4.0 9 9 A A H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.907 113.8 44.7 -68.6 -34.6 5.4 1.9 -4.4 10 10 A R H X S+ 0 0 49 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.920 112.3 51.3 -70.0 -41.8 5.1 0.9 -0.8 11 11 A S H X S+ 0 0 56 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.975 115.5 42.5 -59.9 -45.0 7.5 3.7 0.3 12 12 A N H X S+ 0 0 79 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.903 111.2 56.8 -63.9 -37.5 5.3 6.1 -1.8 13 13 A F H X S+ 0 0 6 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.911 109.5 45.1 -60.0 -45.7 2.2 4.3 -0.3 14 14 A N H X S+ 0 0 68 -4,-3.1 4,-0.7 2,-0.2 -1,-0.2 0.827 109.2 53.3 -73.6 -29.5 3.5 5.2 3.3 15 15 A V H >< S+ 0 0 88 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.942 104.4 58.4 -67.8 -38.6 4.4 8.8 2.2 16 16 A c H 3X S+ 0 0 18 -4,-3.0 4,-0.6 1,-0.3 -2,-0.2 0.890 97.7 62.2 -48.5 -40.6 0.6 8.7 1.1 17 17 A R H 3< S+ 0 0 137 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.766 94.4 61.7 -57.2 -24.2 -0.0 7.9 4.8 18 18 A L T << S+ 0 0 112 -3,-1.7 3,-0.3 -4,-0.7 -2,-0.2 0.996 126.7 4.7 -71.2 -59.8 1.4 11.3 5.8 19 19 A P T 4 S+ 0 0 109 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 0.978 139.4 39.4 -81.7 -69.2 -1.2 13.6 4.0 20 20 A G S < S+ 0 0 26 -4,-0.6 6,-0.5 1,-0.2 5,-0.2 -0.167 82.0 173.4 -80.2 37.5 -3.8 11.2 2.4 21 21 A T + 0 0 74 -2,-0.9 -1,-0.2 -4,-0.3 5,-0.1 0.538 38.8 96.8 -8.5 -71.7 -3.7 9.1 5.6 22 22 A P S >> S- 0 0 78 0, 0.0 3,-1.3 0, 0.0 4,-1.3 -0.143 77.9-128.5 -50.2 131.2 -6.5 6.5 5.1 23 23 A E H 3> S+ 0 0 104 1,-0.3 4,-2.0 2,-0.2 -6,-0.1 0.741 104.1 57.8 -55.2 -32.0 -5.0 3.3 3.6 24 24 A A H 3> S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.874 101.3 55.1 -70.4 -33.0 -7.5 3.1 0.7 25 25 A L H <> S+ 0 0 74 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.980 105.7 53.1 -61.9 -44.1 -6.5 6.6 -0.6 26 26 A c H X S+ 0 0 0 -4,-1.3 4,-3.1 -6,-0.5 5,-0.3 0.901 109.6 49.8 -56.6 -42.7 -2.9 5.2 -0.7 27 27 A A H X>S+ 0 0 16 -4,-2.0 5,-1.3 1,-0.2 4,-1.1 0.945 112.9 44.5 -61.4 -45.7 -4.3 2.2 -2.8 28 28 A T H <5S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 121.1 42.7 -64.5 -32.4 -6.1 4.5 -5.3 29 29 A Y H <5S+ 0 0 189 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.877 123.3 29.4 -88.6 -42.1 -3.0 6.8 -5.4 30 30 A T H <5S- 0 0 40 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.331 106.9-110.5-107.0 11.5 0.1 4.4 -5.6 31 31 A G T <5 + 0 0 41 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.939 66.7 147.0 62.8 52.3 -1.6 1.5 -7.4 32 32 A b < - 0 0 7 -5,-1.3 2,-0.5 -6,-0.3 -28,-0.2 -0.791 43.1-130.6-113.5 161.6 -1.6 -0.9 -4.4 33 33 A I E -A 3 0A 59 -30,-3.2 -30,-0.9 -2,-0.3 2,-0.8 -0.933 2.6-150.3-122.4 111.7 -4.2 -3.5 -3.6 34 34 A I E -A 2 0A 66 -2,-0.5 -32,-0.2 -32,-0.2 -30,-0.0 -0.754 31.5-176.5 -79.1 107.7 -5.7 -3.9 -0.1 35 35 A I - 0 0 44 -34,-2.5 -32,-0.1 -2,-0.8 4,-0.1 -0.961 34.7-123.2-121.4 129.2 -6.4 -7.7 -0.2 36 36 A P S S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.631 86.4 87.2 -38.7 -38.5 -8.2 -9.8 2.6 37 37 A G S S- 0 0 43 2,-0.1 -2,-0.2 -36,-0.1 0, 0.0 -0.133 83.6-124.3 -57.0 162.2 -5.3 -12.2 3.0 38 38 A A S S+ 0 0 97 2,-0.1 2,-0.3 -37,-0.0 -1,-0.1 0.288 89.4 50.7 -98.9 10.0 -2.4 -11.4 5.5 39 39 A T S S- 0 0 116 -38,-0.1 -2,-0.1 -4,-0.1 -36,-0.1 -0.917 84.8-100.6-142.6 170.5 0.3 -11.7 2.8 40 40 A a - 0 0 34 -2,-0.3 5,-0.1 1,-0.1 -38,-0.1 -0.663 31.3-103.1-102.7 142.4 1.0 -10.4 -0.6 41 41 A P > - 0 0 41 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.235 38.8-107.0 -53.7 152.5 0.7 -11.9 -4.2 42 42 A G T 3 S+ 0 0 91 1,-0.3 3,-0.1 2,-0.2 -2,-0.0 0.633 123.4 41.9 -55.8 -22.5 3.8 -13.1 -6.0 43 43 A D T 3 S+ 0 0 117 1,-0.1 -1,-0.3 -37,-0.0 -3,-0.0 0.297 116.2 47.6-107.2 0.4 3.6 -10.0 -8.3 44 44 A Y S < S+ 0 0 60 -3,-2.5 2,-0.9 2,-0.1 -40,-0.5 -0.035 73.9 123.7-133.1 31.0 2.7 -7.4 -5.5 45 45 A A 0 0 64 -40,-0.2 -38,-0.2 -4,-0.2 -42,-0.0 -0.778 360.0 360.0-107.0 86.7 5.2 -8.2 -2.8 46 46 A N 0 0 76 -2,-0.9 -40,-0.1 -42,-0.7 -2,-0.1 0.393 360.0 360.0 9.7 360.0 7.2 -5.1 -1.9