==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SEED STORAGE PROTEIN 17-SEP-96 1PNB . COMPND 2 MOLECULE: NAPIN BNIB; . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA NAPUS; . AUTHOR M.RICO,M.BRUIX,C.GONZALEZ,R.MONSALVE,R.RODRIGUEZ . 106 2 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 57.5 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 . 0 0.0 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.8 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 1 1 1 0 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Q 0 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.8 7.0 1.4 14.2 2 2 A P > - 0 0 68 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.565 360.0-160.8 -75.0 129.2 6.4 -2.3 13.4 3 3 A Q H > S+ 0 0 100 -2,-0.3 4,-3.4 2,-0.2 5,-0.1 0.874 91.5 57.9 -75.0 -39.9 9.4 -4.0 11.9 4 4 A K H > S+ 0 0 144 2,-0.2 4,-3.8 3,-0.2 5,-0.4 0.885 105.3 53.2 -56.7 -40.9 7.3 -6.8 10.5 5 5 A a H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.991 114.1 38.1 -56.9 -68.0 5.2 -4.3 8.7 6 6 A Q H X S+ 0 0 71 -4,-1.6 4,-1.8 2,-0.2 5,-0.3 0.851 122.3 49.2 -51.4 -38.0 8.1 -2.6 6.9 7 7 A R H X>S+ 0 0 138 -4,-3.4 4,-3.7 2,-0.2 5,-0.6 1.000 107.6 48.0 -64.7 -71.6 9.6 -6.1 6.6 8 8 A E H X5S+ 0 0 51 -4,-3.8 4,-1.7 1,-0.2 5,-0.3 0.819 109.7 60.4 -37.2 -41.2 6.7 -8.0 5.2 9 9 A F H X>S+ 0 0 11 -4,-2.5 4,-1.0 -5,-0.4 5,-0.5 0.975 125.5 12.2 -52.4 -67.8 6.4 -5.1 2.8 10 10 A Q H <5S+ 0 0 143 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.922 120.9 67.3 -77.4 -48.1 9.8 -5.4 1.2 11 11 A Q H <5S+ 0 0 132 -4,-3.7 -3,-0.2 -5,-0.3 -1,-0.2 0.811 110.5 41.0 -40.4 -36.9 10.6 -8.8 2.6 12 12 A E H <> S+ 0 0 159 90,-0.2 3,-1.5 2,-0.1 4,-0.6 0.714 82.9 67.3-115.0 -46.4 3.2 -4.8 -8.8 17 17 A A T >4 S+ 0 0 59 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.787 105.7 50.4 -47.1 -29.2 -0.5 -4.5 -9.8 18 18 A b T 3>>S+ 0 0 0 1,-0.2 4,-1.5 87,-0.2 5,-0.6 0.797 83.5 89.0 -79.1 -31.0 -0.2 -1.4 -7.6 19 19 A Q H <>5S+ 0 0 93 -3,-1.5 4,-1.3 3,-0.2 5,-0.5 0.767 84.6 61.7 -35.1 -32.8 2.9 -0.3 -9.6 20 20 A Q H 5S+ 0 0 14 -4,-0.4 4,-5.1 1,-0.3 5,-0.4 0.977 122.4 61.3 -53.1 -63.6 -1.4 3.9 -9.5 22 22 A I H <5S+ 0 0 1 -4,-1.5 -1,-0.3 67,-0.3 4,-0.2 0.806 122.8 25.6 -30.1 -45.7 1.4 3.7 -6.9 23 23 A R H ><< S+ 0 0 112 -4,-3.7 3,-2.9 -5,-0.5 -3,-0.2 0.832 97.2 77.5 -40.4 -40.9 1.1 6.8 -12.1 25 25 A Q T 3< S+ 0 0 17 -4,-5.1 -1,-0.3 -5,-0.4 -2,-0.2 0.816 75.6 77.0 -39.3 -38.7 -0.2 8.4 -8.9 26 26 A L T < S+ 0 0 24 -3,-3.6 -1,-0.3 -5,-0.4 -2,-0.2 0.873 78.5 90.3 -39.7 -48.6 2.9 10.6 -9.2 27 27 A A < + 0 0 52 -3,-2.9 48,-0.0 -4,-0.3 0, 0.0 0.108 36.7 129.0 -44.2 166.4 1.0 12.5 -11.9 28 28 A G + 0 0 74 1,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.467 47.2 82.6 141.8 48.6 -1.1 15.5 -10.8 29 29 A S - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.425 56.7-156.9-174.1 88.4 -0.2 18.5 -12.8 30 30 A P 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.535 360.0 360.0 -74.9 134.7 -1.8 19.1 -16.3 31 31 A F 0 0 257 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 0.615 360.0 360.0 -81.0 360.0 0.2 21.3 -18.6 32 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 1 B Q 0 0 211 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.1 -9.1 3.4 -17.7 34 2 B S + 0 0 124 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.318 360.0 16.6 -65.7 148.1 -10.5 4.8 -20.9 35 3 B G S S- 0 0 57 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.964 86.8-156.9 50.9 64.2 -13.8 3.3 -22.2 36 4 B P + 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.535 39.0 137.4 -74.9 134.8 -14.7 1.6 -18.9 37 5 B Q + 0 0 172 -2,-0.3 2,-0.3 1,-0.2 -2,-0.0 0.010 52.3 66.1-169.4 40.5 -17.1 -1.3 -19.2 38 6 B Q - 0 0 171 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.970 54.3-150.2-165.1 152.6 -15.8 -4.1 -16.9 39 7 B G - 0 0 45 -2,-0.3 2,-0.1 -3,-0.1 0, 0.0 -0.736 22.9-173.2-133.4 84.5 -15.3 -4.8 -13.2 40 8 B P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.338 22.4-148.3 -75.0 158.2 -12.4 -7.2 -12.6 41 9 B W S S+ 0 0 188 1,-0.1 4,-0.3 2,-0.1 51,-0.0 -0.090 73.6 101.0-115.5 29.7 -11.6 -8.6 -9.2 42 10 B L > + 0 0 125 1,-0.2 3,-3.2 2,-0.2 4,-0.4 0.899 65.1 70.5 -79.2 -44.9 -7.9 -8.7 -9.8 43 11 B R T >> S+ 0 0 67 1,-0.3 3,-2.9 2,-0.2 4,-0.9 0.830 85.0 72.3 -38.8 -41.7 -7.1 -5.6 -7.9 44 12 B E H 3> S+ 0 0 87 1,-0.3 4,-5.4 2,-0.2 5,-0.3 0.856 81.9 70.3 -43.0 -43.5 -8.0 -7.7 -4.8 45 13 B Q H <> S+ 0 0 133 -3,-3.2 4,-1.3 -4,-0.3 -1,-0.3 0.838 96.3 53.3 -43.6 -39.7 -4.7 -9.5 -5.4 46 14 B b H X> S+ 0 0 2 -3,-2.9 4,-0.9 -4,-0.4 3,-0.6 0.968 117.2 34.8 -61.2 -55.3 -3.0 -6.2 -4.3 47 15 B c H >X S+ 0 0 1 46,-1.2 4,-4.9 -4,-0.9 3,-1.0 0.929 106.3 70.0 -64.4 -46.5 -5.0 -6.1 -1.1 48 16 B N H 3X S+ 0 0 56 -4,-5.4 4,-2.3 45,-0.4 -1,-0.2 0.818 98.0 54.1 -38.5 -38.1 -4.9 -9.9 -0.9 49 17 B E H << S+ 0 0 79 -4,-1.3 4,-0.4 -3,-0.6 -1,-0.3 0.927 122.3 26.1 -64.3 -47.2 -1.2 -9.3 -0.1 50 18 B L H X< S+ 0 0 9 -3,-1.0 3,-0.9 -4,-0.9 -2,-0.2 0.907 124.4 51.3 -81.6 -47.4 -2.0 -6.9 2.7 51 19 B Y H 3< S+ 0 0 114 -4,-4.9 -3,-0.2 1,-0.3 4,-0.2 0.943 98.8 64.1 -53.9 -54.5 -5.4 -8.4 3.6 52 20 B Q T 3< S+ 0 0 157 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.809 112.7 41.2 -38.6 -37.9 -4.0 -11.9 3.8 53 21 B E S < S- 0 0 85 -3,-0.9 2,-0.6 -4,-0.4 -3,-0.1 0.163 119.5 -53.2 -91.0-150.0 -2.0 -10.5 6.7 54 22 B D > - 0 0 85 1,-0.1 3,-2.9 4,-0.0 -1,-0.1 -0.853 39.7-133.4 -98.4 120.8 -3.1 -8.1 9.4 55 23 B Q G > S+ 0 0 109 -2,-0.6 3,-0.8 1,-0.3 4,-0.2 0.703 92.9 97.9 -41.6 -20.6 -4.6 -4.9 8.2 56 24 B V G 3 S+ 0 0 85 1,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.767 84.2 49.8 -40.9 -28.2 -2.2 -3.5 10.8 57 25 B a G < S+ 0 0 13 -3,-2.9 -1,-0.3 -7,-0.2 -4,-0.1 -0.586 84.8 105.1-113.9 66.0 -0.1 -3.0 7.7 58 26 B V S X> S+ 0 0 3 -3,-0.8 3,-1.3 -2,-0.5 4,-1.0 0.754 92.4 11.1-104.0 -85.4 -2.7 -1.2 5.5 59 27 B d H 3> S+ 0 0 36 1,-0.3 4,-2.4 40,-0.2 3,-0.2 0.802 129.8 59.0 -66.2 -29.1 -2.1 2.5 5.1 60 28 B P H 3> S+ 0 0 49 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.575 98.5 60.9 -75.0 -9.9 1.3 1.9 6.7 61 29 B T H <> S+ 0 0 13 -3,-1.3 4,-0.5 2,-0.1 -2,-0.2 0.827 110.9 36.1 -83.7 -36.3 2.0 -0.5 3.9 62 30 B L H >X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.2 3,-1.2 0.906 107.1 66.1 -81.4 -47.1 1.7 2.2 1.2 63 31 B K H 3X S+ 0 0 89 -4,-2.4 4,-1.4 1,-0.3 -2,-0.1 0.891 103.0 48.1 -38.0 -57.6 3.2 5.0 3.2 64 32 B Q H 3X S+ 0 0 62 -4,-0.9 4,-0.6 1,-0.2 -1,-0.3 0.838 107.5 59.2 -54.3 -35.3 6.5 3.2 3.2 65 33 B A H XX S+ 0 0 0 -3,-1.2 3,-2.9 -4,-0.5 4,-1.8 0.973 97.3 56.2 -57.7 -59.1 6.0 2.8 -0.5 66 34 B A H 3X S+ 0 0 0 -4,-2.0 4,-1.4 37,-1.1 5,-0.3 0.835 92.4 74.8 -41.0 -39.4 5.8 6.5 -1.2 67 35 B K H 3X S+ 0 0 131 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.3 0.871 107.9 30.9 -41.3 -46.8 9.2 6.6 0.5 68 36 B S H << S+ 0 0 59 -3,-2.9 -1,-0.2 -4,-0.6 -2,-0.2 0.927 118.7 56.0 -78.8 -49.7 10.5 5.1 -2.8 69 37 B V H < S+ 0 0 14 -4,-1.8 5,-0.3 35,-0.2 6,-0.2 0.947 105.0 49.7 -44.3 -79.7 8.0 6.7 -5.1 70 38 B R H < S+ 0 0 91 -4,-1.4 5,-0.3 3,-0.1 4,-0.2 0.792 74.7 117.6 -23.5 -81.3 8.7 10.3 -4.1 71 39 B V S >< S- 0 0 66 -4,-0.8 3,-0.6 -5,-0.3 4,-0.4 0.520 78.1-120.4 2.1 100.0 12.4 10.1 -4.5 72 40 B Q G > S+ 0 0 122 4,-0.3 3,-3.9 1,-0.2 2,-2.0 0.728 80.0 114.1 -19.0 -96.6 12.8 12.6 -7.2 73 41 B G G 3 S+ 0 0 56 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 -0.303 104.3 2.8 55.8 -82.4 14.4 10.4 -9.9 74 42 B Q G < S+ 0 0 166 -2,-2.0 -1,-0.3 -3,-0.6 -2,-0.1 0.383 143.6 46.2-109.9 -2.4 11.5 10.6 -12.3 75 43 B H < - 0 0 48 -3,-3.9 -1,-0.2 -4,-0.4 -2,-0.1 -0.484 69.3-177.8-139.6 64.3 9.5 13.0 -10.1 76 44 B G S S+ 0 0 37 -3,-0.2 -4,-0.3 -4,-0.1 -1,-0.2 0.784 70.2 30.6 -23.9 -91.5 11.9 15.7 -8.9 77 45 B P S S+ 0 0 114 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.340 77.6 142.8 -75.0 157.9 9.5 17.7 -6.7 78 46 B F - 0 0 46 -2,-0.1 3,-0.1 0, 0.0 -6,-0.0 -0.965 53.8-106.9-174.6-178.7 6.7 16.1 -4.8 79 47 B Q >> + 0 0 107 -2,-0.3 4,-2.3 1,-0.1 5,-0.8 -0.441 36.1 166.2-126.5 56.9 4.6 16.0 -1.6 80 48 B S H >5S+ 0 0 40 1,-0.3 4,-0.8 3,-0.2 -1,-0.1 0.810 84.1 51.4 -38.9 -37.5 5.8 12.8 0.1 81 49 B T H >5S+ 0 0 122 2,-0.2 4,-1.0 -3,-0.1 -1,-0.3 0.942 124.8 24.4 -67.4 -50.0 4.1 14.3 3.1 82 50 B R H >5S+ 0 0 147 -3,-0.5 4,-1.4 2,-0.2 3,-0.3 0.970 118.0 57.2 -78.4 -62.3 0.8 14.9 1.3 83 51 B I H X5S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -3,-0.2 0.797 102.9 64.8 -37.8 -34.8 1.1 12.4 -1.6 84 52 B Y H <> + 0 0 44 4,-0.2 4,-1.3 1,-0.1 3,-1.3 -0.823 31.3 177.5-143.7 99.5 -12.6 -0.5 2.0 97 65 B K T 34 S+ 0 0 194 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.486 82.1 73.9 -76.8 -3.0 -11.9 3.0 3.2 98 66 B Q T 34 S+ 0 0 184 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.612 101.7 40.0 -83.4 -14.5 -12.9 1.7 6.6 99 67 B I T <4 S- 0 0 58 -3,-1.3 -40,-0.2 1,-0.2 2,-0.2 0.877 116.7 -98.8 -96.3 -58.0 -9.6 -0.1 6.8 100 68 B G < - 0 0 16 -4,-1.3 2,-0.3 -42,-0.1 -4,-0.2 -0.710 30.4-150.7 148.3 162.2 -7.1 2.3 5.3 101 69 B T + 0 0 41 -2,-0.2 -42,-0.2 -4,-0.1 -43,-0.1 -0.984 17.7 154.4-158.8 155.2 -5.2 3.2 2.1 102 70 B d - 0 0 1 -2,-0.3 2,-0.4 -44,-0.1 -17,-0.1 -0.955 50.9 -60.3-168.8 175.5 -2.0 4.9 1.0 103 71 B P - 0 0 1 0, 0.0 -37,-1.1 0, 0.0 -38,-0.5 -0.573 53.2-167.8 -75.0 127.3 0.5 5.0 -1.8 104 72 B F - 0 0 2 -2,-0.4 2,-0.3 -39,-0.2 -35,-0.2 -0.087 2.7-152.2 -97.3-161.7 2.2 1.7 -2.6 105 73 B I - 0 0 20 -37,-0.1 2,-0.2 -2,-0.1 -86,-0.2 -0.966 3.6-136.2-165.7 169.8 5.2 0.7 -4.7 106 74 B A 0 0 13 -2,-0.3 -91,-0.2 -87,-0.1 -92,-0.2 -0.763 360.0 360.0-130.1 175.4 6.7 -2.1 -6.7 107 75 B I 0 0 144 -93,-0.9 -91,-0.0 -2,-0.2 -97,-0.0 -0.285 360.0 360.0 -55.9 360.0 10.0 -3.8 -7.1