==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 08-MAR-04 1SM7 . COMPND 2 MOLECULE: RECOMBINANT IB PRONAPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA NAPUS; . AUTHOR D.PANTOJA-UCEDA,O.PALOMARES,M.BRUIX,M.VILLALBA,R.RODRIGUEZ,M . 109 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 46.8 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 . 6 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 5 1 0 2 0 0 0 0 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 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 0 173 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -51.3 -9.2 -12.3 4.7 2 2 A P >> - 0 0 36 0, 0.0 4,-3.4 0, 0.0 3,-1.7 -0.605 360.0-166.4 -74.0 106.0 -6.6 -15.1 5.1 3 3 A Q H 3> S+ 0 0 118 -2,-0.8 4,-3.1 1,-0.3 5,-0.4 0.836 79.7 82.4 -63.1 -30.9 -5.3 -14.9 8.6 4 4 A K H 34 S+ 0 0 161 1,-0.2 -1,-0.3 2,-0.2 55,-0.1 0.793 119.5 10.5 -42.8 -30.1 -2.4 -17.2 7.6 5 5 A a H X> S+ 0 0 9 -3,-1.7 4,-3.6 53,-0.2 3,-1.8 0.645 125.2 63.2-117.3 -36.7 -1.0 -13.9 6.3 6 6 A Q H 3< S+ 0 0 37 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.629 109.9 46.0 -63.1 -11.4 -3.4 -11.4 7.9 7 7 A R T 3< S+ 0 0 160 -4,-3.1 -1,-0.3 -5,-0.2 -3,-0.1 0.465 120.4 37.3-106.7 -10.7 -2.0 -12.7 11.2 8 8 A E T <> S+ 0 0 126 -3,-1.8 4,-0.6 -5,-0.4 -2,-0.2 0.584 116.5 50.2-112.6 -21.8 1.6 -12.6 10.1 9 9 A F H X S+ 0 0 1 -4,-3.6 4,-0.6 -6,-0.2 -3,-0.2 0.824 123.9 29.7 -84.9 -39.1 1.5 -9.4 8.1 10 10 A Q H 4 S+ 0 0 85 -5,-0.5 4,-0.2 -4,-0.2 -1,-0.2 0.551 99.6 89.3 -97.2 -12.6 -0.2 -7.4 10.8 11 11 A Q H 4 S- 0 0 96 -6,-0.3 -2,-0.1 1,-0.2 -3,-0.1 0.951 125.3 -49.6 -48.3 -53.2 1.3 -9.4 13.6 12 12 A E H < S+ 0 0 137 -4,-0.6 -1,-0.2 2,-0.0 -2,-0.1 0.074 129.2 70.9-179.8 33.1 4.3 -7.2 13.8 13 13 A Q < + 0 0 124 -4,-0.6 -2,-0.1 -5,-0.1 -3,-0.1 -0.221 58.0 149.4-155.1 50.5 5.6 -6.7 10.3 14 14 A H - 0 0 95 -4,-0.2 2,-0.2 1,-0.2 -4,-0.1 0.384 48.3 -84.7 -64.9-148.2 3.1 -4.6 8.4 15 15 A L + 0 0 9 1,-0.1 -1,-0.2 49,-0.1 37,-0.1 -0.762 43.4 158.9-122.9 170.2 4.2 -2.3 5.6 16 16 A R S S+ 0 0 174 -2,-0.2 5,-0.3 32,-0.0 -1,-0.1 0.260 75.6 52.0-152.3 -71.6 5.5 1.3 5.4 17 17 A A S > S+ 0 0 10 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.744 118.7 47.4 -50.6 -18.7 7.4 2.2 2.2 18 18 A b H > S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.923 119.4 35.3 -88.4 -50.8 4.2 0.8 0.6 19 19 A Q H 4 S+ 0 0 17 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 -0.037 122.1 51.2 -90.5 29.0 1.7 2.7 2.8 20 20 A Q H > S+ 0 0 53 -3,-0.3 4,-0.7 -4,-0.1 3,-0.3 0.549 95.2 61.4-132.2 -40.3 4.1 5.7 2.9 21 21 A W H >< S+ 0 0 4 -4,-1.2 3,-0.8 -5,-0.3 4,-0.3 0.871 105.1 53.6 -59.9 -33.9 5.0 6.4 -0.7 22 22 A I G >< S+ 0 0 3 -4,-0.7 3,-1.4 1,-0.3 -1,-0.3 0.844 101.0 59.4 -70.5 -31.8 1.3 7.1 -1.2 23 23 A R G >4>S+ 0 0 56 -3,-0.3 3,-0.7 1,-0.3 5,-0.6 0.687 96.9 62.1 -67.7 -18.2 1.4 9.5 1.7 24 24 A Q G <<5S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.589 84.6 75.7 -81.6 -13.0 4.0 11.4 -0.4 25 25 A Q G < 5S+ 0 0 94 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.586 100.3 49.1 -71.6 -11.1 1.3 12.0 -3.0 26 26 A L T < 5S- 0 0 71 -3,-0.7 3,-0.4 -4,-0.2 -3,-0.0 -0.425 108.8 -87.3-112.4-167.8 -0.1 14.6 -0.6 27 27 A A T 5S+ 0 0 94 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 0.148 99.4 102.2 -89.1 16.6 1.4 17.5 1.3 28 28 A G S + 0 0 10 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.464 55.1 167.4 -74.0 76.6 9.2 11.7 -3.1 39 39 A Q T 3 S+ 0 0 36 -2,-2.2 -5,-0.1 1,-0.3 4,-0.1 0.857 82.4 46.8 -60.4 -33.4 12.4 13.1 -4.6 40 40 A Q T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -10,-0.2 -9,-0.1 0.486 126.6 30.8 -85.5 -4.9 14.0 12.7 -1.2 41 41 A G < + 0 0 19 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 -0.392 67.2 141.3-149.0 62.3 12.6 9.2 -1.0 42 42 A P > + 0 0 67 0, 0.0 2,-2.6 0, 0.0 3,-1.0 0.837 58.8 82.7 -73.6 -31.4 12.3 7.7 -4.6 43 43 A S T 3 + 0 0 74 1,-0.2 -26,-0.0 2,-0.1 -4,-0.0 -0.429 65.9 93.0 -74.3 70.7 13.4 4.3 -3.4 44 44 A L T 3> S+ 0 0 17 -2,-2.6 4,-3.9 3,-0.1 5,-0.3 0.597 75.7 52.4-130.1 -42.0 9.9 3.4 -2.2 45 45 A R H <> S+ 0 0 59 -3,-1.0 4,-3.9 2,-0.2 5,-0.4 0.998 114.3 40.2 -62.9 -66.1 8.3 1.6 -5.2 46 46 A E H 4 S+ 0 0 162 -4,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.730 122.1 49.0 -56.2 -20.1 11.1 -1.0 -5.8 47 47 A Q H >> S+ 0 0 109 2,-0.2 4,-3.2 3,-0.1 3,-0.7 0.944 117.6 35.2 -83.3 -53.2 11.2 -1.2 -2.0 48 48 A b H 3X S+ 0 0 0 -4,-3.9 4,-2.4 2,-0.3 5,-0.4 0.907 108.5 65.7 -67.3 -44.4 7.5 -1.6 -1.3 49 49 A c H 3< S+ 0 0 22 -4,-3.9 -1,-0.3 -5,-0.3 -3,-0.2 0.759 119.5 27.5 -49.7 -25.2 7.0 -3.7 -4.4 50 50 A N H X> S+ 0 0 104 -3,-0.7 4,-3.5 -5,-0.4 3,-0.7 0.753 116.2 58.6-103.0 -39.8 9.3 -6.0 -2.4 51 51 A E H 3< S+ 0 0 27 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.588 112.8 45.0 -65.0 -11.9 8.3 -5.0 1.1 52 52 A L T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 -5,-0.2 -3,-0.2 0.613 119.6 39.4-102.6 -21.7 4.8 -6.0 0.0 53 53 A Y T X4 S+ 0 0 122 -3,-0.7 3,-2.3 -5,-0.4 -2,-0.2 0.683 95.7 77.6-101.4 -29.4 5.8 -9.2 -1.6 54 54 A Q T 3< S+ 0 0 122 -4,-3.5 -3,-0.1 1,-0.3 -1,-0.1 0.773 88.6 63.0 -52.7 -26.8 8.4 -10.2 0.9 55 55 A E T 3 S- 0 0 20 1,-0.3 -1,-0.3 -5,-0.2 3,-0.1 0.152 119.9-111.9 -83.7 19.2 5.4 -11.3 3.0 56 56 A D <> - 0 0 99 -3,-2.3 4,-1.0 1,-0.2 -1,-0.3 -0.224 38.7 -70.0 77.5-170.0 4.7 -13.8 0.3 57 57 A Q H > S+ 0 0 32 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.739 129.0 67.3 -89.6 -23.6 1.7 -13.6 -2.0 58 58 A V H 4 S+ 0 0 41 1,-0.2 5,-0.3 2,-0.2 -53,-0.2 0.519 110.0 39.4 -74.4 -2.0 -0.8 -14.4 0.7 59 59 A a H 4>S+ 0 0 3 -3,-0.3 5,-1.0 -6,-0.1 -1,-0.2 0.649 91.8 81.7-116.6 -28.9 0.2 -11.0 2.1 60 60 A V H <5S+ 0 0 1 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.759 101.2 54.0 -48.1 -27.3 0.4 -9.1 -1.1 61 61 A d T <5S- 0 0 6 -4,-0.7 -1,-0.2 3,-0.1 41,-0.1 -0.885 113.3 -12.7 173.7 166.3 -3.3 -8.9 -0.6 62 62 A P T > 5S+ 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.978 123.4 65.7 -70.5 -2.1 -5.9 -8.4 0.4 63 63 A T T > 5S+ 0 0 0 -5,-0.3 3,-3.4 1,-0.3 4,-0.4 0.842 91.3 65.4 -38.1 -47.6 -3.7 -8.1 3.4 64 64 A L T 3> S+ 0 0 97 -3,-2.2 4,-1.4 1,-0.2 -1,-0.3 0.754 93.3 55.5 -39.8 -34.6 -5.6 -3.5 2.2 66 66 A Q H X> S+ 0 0 44 -3,-3.4 4,-2.5 -4,-0.3 3,-0.7 0.994 107.5 41.0 -61.6 -71.2 -4.5 -3.2 5.8 67 67 A A H 34 S+ 0 0 3 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.792 122.2 47.3 -51.7 -22.9 -1.3 -1.2 5.3 68 68 A A H >< S+ 0 0 5 -4,-2.8 3,-0.6 -5,-0.2 -1,-0.3 0.759 106.8 55.4 -88.3 -27.7 -3.5 0.7 2.8 69 69 A K H << S+ 0 0 87 -4,-1.4 3,-0.4 -3,-0.7 -2,-0.2 0.863 115.9 38.0 -73.1 -33.2 -6.4 1.0 5.3 70 70 A S T 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.202 83.4 108.1-101.0 13.0 -4.0 2.7 7.7 71 71 A V S < S- 0 0 1 -3,-0.6 -1,-0.2 -5,-0.3 -2,-0.1 0.664 111.5 -25.1 -62.7 -15.5 -2.3 4.6 4.9 72 72 A R S S+ 0 0 122 1,-0.4 -2,-0.1 -3,-0.4 -3,-0.1 0.155 119.2 78.8-154.9 -75.5 -4.1 7.6 6.4 73 73 A V + 0 0 24 -4,-0.2 -1,-0.4 1,-0.1 0, 0.0 -0.004 38.0 161.3 -45.9 159.5 -7.3 7.0 8.3 74 74 A Q S S+ 0 0 176 -3,-0.1 -1,-0.1 0, 0.0 -4,-0.1 0.071 76.7 0.2-175.7 33.6 -6.9 5.8 11.9 75 75 A G S S- 0 0 72 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.134 128.2 -22.7 171.8 -54.0 -10.1 6.5 13.7 76 76 A Q + 0 0 187 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.543 58.7 144.6 174.9 103.7 -12.7 8.2 11.4 77 77 A H - 0 0 83 -2,-0.1 4,-0.2 1,-0.1 -4,-0.0 0.211 50.8-137.6-127.6 8.6 -12.0 10.1 8.2 78 78 A G > - 0 0 44 1,-0.1 2,-1.1 2,-0.1 3,-0.5 0.116 53.6 -32.7 55.0-179.5 -15.1 9.0 6.3 79 79 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.609 108.4 87.7 -72.9 98.7 -15.0 8.0 2.6 80 80 A F T 3> S+ 0 0 153 -2,-1.1 4,-1.0 0, 0.0 5,-0.2 0.259 85.0 34.9-152.8 -62.9 -12.3 10.3 1.2 81 81 A Q H <> S+ 0 0 23 -3,-0.5 4,-3.7 -4,-0.2 5,-0.4 0.989 112.0 58.7 -72.7 -56.9 -8.7 9.0 1.4 82 82 A S H > S+ 0 0 44 -4,-0.3 4,-2.8 1,-0.2 5,-0.4 0.833 99.8 63.3 -39.7 -46.1 -9.5 5.3 0.8 83 83 A T H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.913 121.4 17.2 -41.5 -72.3 -11.1 6.4 -2.5 84 84 A R H X S+ 0 0 123 -4,-1.0 4,-1.7 -3,-0.3 5,-0.4 0.901 118.3 68.4 -71.5 -45.0 -7.9 7.7 -4.0 85 85 A I H < S+ 0 0 10 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.4 35.4 -42.0 -34.2 -5.7 5.9 -1.5 86 86 A Y H >X S+ 0 0 46 -4,-2.8 4,-1.0 -3,-0.4 3,-0.7 0.854 110.2 60.0 -89.6 -40.1 -7.0 2.8 -3.3 87 87 A Q H 3< S+ 0 0 67 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.607 116.9 36.6 -63.9 -10.2 -7.1 4.4 -6.8 88 88 A I T 3< S+ 0 0 14 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.455 114.6 54.7-117.3 -9.9 -3.4 4.9 -6.3 89 89 A A T <4 S+ 0 0 7 -3,-0.7 -2,-0.2 -5,-0.4 -3,-0.1 0.339 98.2 65.1-102.7 3.4 -2.8 1.6 -4.4 90 90 A K S < S+ 0 0 41 -4,-1.0 -1,-0.1 1,-0.2 -3,-0.1 0.572 94.7 57.6 -97.4 -18.3 -4.3 -0.4 -7.3 91 91 A N S > S+ 0 0 40 -5,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.316 88.8 79.2 -91.0 1.2 -1.6 0.6 -9.7 92 92 A L H >> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.951 94.7 43.2 -72.8 -50.1 1.0 -0.9 -7.3 93 93 A P H 34 S+ 0 0 21 0, 0.0 6,-0.3 0, 0.0 5,-0.3 0.469 109.5 63.4 -73.3 -1.5 0.3 -4.5 -8.3 94 94 A N H 34 S+ 0 0 95 2,-0.1 3,-0.3 3,-0.1 -2,-0.2 0.824 118.6 21.1 -88.6 -39.7 0.3 -3.3 -11.9 95 95 A V H << S+ 0 0 125 -4,-1.1 -3,-0.1 -3,-0.5 -1,-0.1 0.461 130.5 49.2-105.5 -5.2 3.9 -2.1 -11.9 96 96 A c S < S- 0 0 14 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.212 84.2-159.2-124.8 37.7 4.9 -4.3 -9.0 97 97 A N + 0 0 134 -3,-0.3 -3,-0.1 1,-0.2 3,-0.1 0.107 39.4 141.0 -23.9 95.1 3.3 -7.5 -10.4 98 98 A M + 0 0 6 -5,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.159 53.4 64.2-132.6 7.8 3.2 -9.3 -7.0 99 99 A K + 0 0 59 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.0 -0.787 46.4 161.8-139.0 90.5 -0.2 -11.0 -7.4 100 100 A Q S S+ 0 0 170 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.961 80.3 40.0 -73.3 -49.5 -0.3 -13.6 -10.1 101 101 A I S S- 0 0 127 1,-0.0 -2,-0.1 0, 0.0 -44,-0.0 0.971 111.5-103.2 -61.1 -89.1 -3.4 -15.4 -8.8 102 102 A G + 0 0 25 -41,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.115 52.3 156.1 151.7 78.2 -5.7 -12.6 -7.6 103 103 A T S S+ 0 0 43 1,-0.2 -42,-0.1 -46,-0.1 -45,-0.0 0.930 89.8 12.0 -85.7 -51.5 -6.1 -11.8 -3.9 104 104 A d S S+ 0 0 21 -43,-0.1 2,-2.6 2,-0.1 -1,-0.2 -0.609 71.4 171.5-126.5 66.6 -7.2 -8.2 -4.2 105 105 A P + 0 0 97 0, 0.0 2,-0.2 0, 0.0 -15,-0.0 -0.249 30.2 146.9 -71.8 52.2 -8.1 -7.8 -7.9 106 106 A F + 0 0 51 -2,-2.6 -2,-0.1 1,-0.2 3,-0.1 -0.612 10.7 113.4 -91.7 157.3 -9.6 -4.4 -7.2 107 107 A I + 0 0 98 -2,-0.2 2,-2.9 -16,-0.0 -1,-0.2 0.064 48.1 97.2 171.7 -39.6 -9.5 -1.4 -9.5 108 108 A A 0 0 106 1,-0.2 -21,-0.0 0, 0.0 -2,-0.0 -0.397 360.0 360.0 -70.5 65.3 -13.1 -0.8 -10.5 109 109 A I 0 0 112 -2,-2.9 -1,-0.2 -3,-0.1 -25,-0.1 0.615 360.0 360.0-128.8 360.0 -13.4 1.9 -7.8