==== 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 METAL TRANSPORT 16-MAY-07 2PYB . COMPND 2 MOLECULE: NEUTROPHIL ACTIVATING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR G.ZANOTTI,E.PAPINUTTO,M.DE BERNARD . 604 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 68.4 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 . 4 0.7 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 . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 1 0 0 0 0 0 3 0 0 2 0 2 0 4 0 0 4 0 0 0 0 4 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 11 A D 0 0 210 0, 0.0 64,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.6 70.2 7.3 -36.7 2 12 A D + 0 0 130 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.362 360.0 66.1 -40.1 175.0 72.2 6.2 -33.6 3 13 A L + 0 0 42 1,-0.1 62,-0.1 62,-0.0 -1,-0.1 0.907 51.1 123.7 69.8 47.4 70.8 5.6 -30.1 4 14 A D > + 0 0 78 3,-0.1 4,-3.1 2,-0.1 5,-0.3 0.654 58.5 85.5-100.4 -26.4 68.7 2.5 -30.6 5 15 A A H >> S+ 0 0 46 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.888 105.1 12.7 -33.3 -99.9 70.7 0.8 -27.9 6 16 A I H 3> S+ 0 0 3 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.593 122.1 72.3 -63.1 -10.4 69.2 1.8 -24.6 7 17 A Q H >> S+ 0 0 13 1,-0.2 4,-1.0 2,-0.2 3,-1.0 0.933 92.5 49.9 -74.0 -46.3 66.2 3.0 -26.5 8 18 A L H << S+ 0 0 79 -4,-3.1 4,-0.3 -3,-0.7 -1,-0.2 0.736 108.9 57.1 -65.0 -18.8 64.8 -0.3 -27.5 9 19 A K H 3X S+ 0 0 42 -4,-0.6 4,-1.6 -5,-0.3 3,-0.3 0.730 90.5 68.0 -84.2 -21.8 65.1 -1.2 -23.9 10 20 A L H S+ 0 0 72 -4,-0.3 4,-1.3 -3,-0.3 68,-0.4 0.950 116.8 26.2 -64.6 -48.8 61.3 -3.2 -22.2 13 23 A L H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 5,-0.3 0.930 116.9 62.0 -78.9 -47.8 60.5 -1.3 -19.0 14 24 A L H X S+ 0 0 10 -4,-5.1 4,-0.9 1,-0.2 -3,-0.2 0.823 109.5 45.7 -45.2 -33.4 57.8 0.8 -20.6 15 25 A A H < S+ 0 0 1 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.2 0.891 112.5 45.5 -76.9 -46.5 56.1 -2.5 -21.2 16 26 A S H X S+ 0 0 1 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.567 106.0 64.6 -76.1 -10.8 56.5 -4.1 -17.8 17 27 A L H X S+ 0 0 4 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.891 100.0 48.1 -80.7 -41.8 55.5 -0.9 -16.2 18 28 A H H X S+ 0 0 9 -4,-0.9 4,-1.5 -5,-0.3 -1,-0.2 0.580 110.7 54.3 -75.4 -7.9 51.9 -0.9 -17.5 19 29 A I H > S+ 0 0 7 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.791 110.1 43.2 -91.3 -37.7 51.6 -4.5 -16.5 20 30 A F H X S+ 0 0 7 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.766 110.4 65.3 -76.1 -24.8 52.6 -3.8 -12.9 21 31 A Y H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 3,-0.3 0.992 107.3 33.1 -59.8 -68.7 50.3 -0.9 -13.4 22 32 A S H < S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.615 114.7 58.8 -67.9 -12.3 47.0 -2.8 -13.8 23 33 A N H >X S+ 0 0 4 -4,-0.9 4,-2.7 2,-0.2 3,-1.8 0.922 106.3 50.1 -77.0 -42.1 48.0 -5.5 -11.5 24 34 A L H 3X S+ 0 0 2 -4,-2.2 4,-3.5 -3,-0.3 -2,-0.2 0.934 108.8 50.1 -54.1 -50.8 48.3 -2.7 -8.9 25 35 A R H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.312 113.0 51.4 -70.5 8.6 44.8 -1.5 -9.9 26 36 A G H <> S+ 0 0 0 -3,-1.8 4,-2.0 -5,-0.2 5,-0.5 0.672 108.1 45.2-111.7 -41.1 44.0 -5.2 -9.3 27 37 A I H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.969 117.5 51.0 -61.6 -48.4 45.5 -5.5 -5.9 28 38 A H H < S+ 0 0 1 -4,-3.5 -1,-0.2 -5,-0.2 -3,-0.2 0.676 113.1 41.9 -59.0 -31.0 43.7 -2.2 -5.3 29 39 A W H 4 S+ 0 0 5 -5,-0.2 191,-0.2 1,-0.1 -1,-0.2 0.869 123.7 29.7 -92.5 -36.6 40.3 -3.3 -6.5 30 40 A N H < S+ 0 0 4 -4,-2.0 -2,-0.2 189,-0.1 -3,-0.2 0.743 81.1 133.2 -94.0 -27.6 39.9 -6.9 -5.1 31 41 A I < + 0 0 2 -4,-2.1 2,-0.1 -5,-0.5 -4,-0.0 0.163 24.3 173.8 -25.0 136.9 41.9 -6.6 -1.9 32 42 A K + 0 0 37 418,-0.1 58,-0.3 419,-0.0 2,-0.2 -0.598 27.1 122.6-155.8 82.2 40.2 -8.1 1.2 33 43 A D - 0 0 26 416,-0.2 4,-0.2 56,-0.1 416,-0.0 -0.808 69.7-102.7-136.8 175.4 42.4 -8.1 4.2 34 44 A T S S+ 0 0 84 -2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.938 121.3 50.0 -69.9 -49.9 42.5 -6.8 7.8 35 45 A N S > S+ 0 0 89 1,-0.2 3,-1.9 2,-0.1 5,-0.2 0.889 82.4 131.7 -54.1 -38.1 45.0 -4.0 7.1 36 46 A F T 3> + 0 0 1 1,-0.3 4,-1.5 2,-0.2 5,-0.3 0.103 55.6 57.0 24.3 -91.2 42.6 -3.1 4.2 37 47 A F H 3> S+ 0 0 16 -3,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.789 119.7 33.5 -26.5 -49.5 42.0 0.7 4.6 38 48 A V H X> S+ 0 0 68 -3,-1.9 4,-2.6 2,-0.2 3,-1.7 0.967 113.7 54.0 -77.0 -54.2 45.7 1.2 4.3 39 49 A I H 34 S+ 0 0 17 1,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.585 111.4 55.8 -64.4 -0.8 46.7 -1.6 1.9 40 50 A H H 3X S+ 0 0 19 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.3 0.822 111.4 37.6 -99.9 -24.3 43.9 0.2 -0.1 41 51 A K H > S+ 0 0 4 -5,-0.4 4,-2.2 -4,-0.3 3,-1.1 0.880 112.3 47.1 -76.8 -39.9 48.5 0.3 -3.5 44 54 A Q H 3X S+ 0 0 65 -4,-0.6 4,-1.1 1,-0.3 -2,-0.2 0.877 106.9 58.1 -62.6 -40.4 46.8 3.3 -5.1 45 55 A K H 3< S+ 0 0 70 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.551 109.9 46.8 -67.5 -9.3 49.8 5.4 -4.0 46 56 A L H X> S+ 0 0 3 -3,-1.1 4,-2.2 2,-0.2 3,-0.8 0.884 112.0 41.7 -97.2 -58.3 51.9 3.0 -5.9 47 57 A Y H 3< S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.620 114.8 56.6 -64.5 -13.7 50.3 2.6 -9.3 48 58 A E T 3X S+ 0 0 81 -4,-1.1 4,-0.6 -5,-0.3 -1,-0.3 0.768 111.8 42.3 -84.8 -30.5 49.7 6.3 -9.1 49 59 A Y T <4 S+ 0 0 98 -3,-0.8 4,-0.5 2,-0.2 -2,-0.2 0.632 114.2 47.3 -89.1 -26.3 53.4 6.8 -8.7 50 60 A I T X S+ 0 0 3 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.454 102.5 70.0 -93.9 0.3 54.5 4.3 -11.3 51 61 A E H > S+ 0 0 20 -5,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.898 100.6 44.2 -76.2 -41.8 51.9 6.1 -13.4 52 62 A K H X S+ 0 0 131 -4,-0.6 4,-1.5 1,-0.2 5,-0.2 0.734 110.7 55.2 -72.6 -24.1 54.1 9.1 -13.5 53 63 A I H > S+ 0 0 10 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.787 104.4 55.4 -78.3 -27.8 57.1 6.9 -14.2 54 64 A I H X S+ 0 0 1 -4,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.843 108.1 46.1 -71.8 -39.3 55.3 5.4 -17.2 55 65 A D H X S+ 0 0 25 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.950 116.9 42.2 -71.2 -48.8 54.6 8.7 -18.9 56 66 A I H X S+ 0 0 66 -4,-1.5 4,-1.4 1,-0.3 5,-0.2 0.934 110.1 56.5 -64.7 -44.1 58.1 10.2 -18.5 57 67 A V H X S+ 0 0 1 -4,-1.9 4,-0.8 1,-0.3 3,-0.4 0.886 109.8 48.2 -53.6 -35.3 59.7 6.9 -19.3 58 68 A A H X S+ 0 0 0 -4,-1.1 4,-1.2 1,-0.2 3,-0.3 0.856 107.7 54.4 -72.0 -34.4 57.7 7.2 -22.5 59 69 A E H X S+ 0 0 55 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.608 94.7 67.1 -75.6 -14.1 58.9 10.8 -23.0 60 70 A R H X S+ 0 0 38 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.2 0.907 99.2 54.6 -69.1 -41.1 62.5 9.9 -22.8 61 71 A S H >X>S+ 0 0 5 -4,-0.8 3,-1.4 -3,-0.3 4,-0.8 0.988 108.9 44.3 -51.9 -69.1 61.9 8.1 -26.0 62 72 A R H 3<5S+ 0 0 81 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.732 102.4 71.3 -48.9 -25.6 60.5 11.2 -27.7 63 73 A M H 3<5S+ 0 0 108 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.931 108.4 31.6 -54.6 -51.3 63.4 13.1 -26.2 64 74 A L H <<5S- 0 0 57 -3,-1.4 -2,-0.2 -4,-1.3 -3,-0.1 0.986 128.5 -79.5 -70.7 -81.1 65.9 11.5 -28.6 65 75 A G T <5S+ 0 0 50 -4,-0.8 -3,-0.2 -62,-0.1 -4,-0.1 0.298 87.5 121.0-164.0 -20.7 63.9 10.8 -31.8 66 76 A Y < - 0 0 67 -5,-0.7 2,-0.7 -6,-0.2 -2,-0.0 -0.132 56.0-133.9 -60.3 152.5 61.9 7.7 -31.1 67 77 A D - 0 0 75 -6,-0.1 115,-0.1 -5,-0.0 -1,-0.1 -0.915 27.3-129.8-112.8 104.4 58.1 7.5 -31.2 68 78 A S - 0 0 7 -2,-0.7 2,-0.2 -10,-0.3 113,-0.0 0.097 14.5-131.2 -50.3 157.6 56.7 5.8 -28.2 69 79 A E + 0 0 30 1,-0.1 -1,-0.1 5,-0.1 169,-0.0 -0.626 24.1 175.6-106.6 167.5 54.1 2.9 -28.3 70 80 A F + 0 0 0 -2,-0.2 107,-0.1 166,-0.1 -1,-0.1 0.177 41.4 125.3-152.8 1.2 50.8 2.5 -26.4 71 81 A R - 0 0 55 1,-0.1 -2,-0.1 3,-0.1 166,-0.0 -0.388 53.7-145.0 -69.7 151.2 49.5 -0.7 -28.0 72 82 A Y S >> S+ 0 0 20 1,-0.2 3,-2.4 2,-0.1 4,-2.1 0.777 94.8 66.9 -86.9 -33.6 48.6 -3.6 -25.7 73 83 A S T 34 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.2 5,-0.2 0.907 103.4 51.8 -54.1 -37.4 49.7 -6.4 -28.0 74 84 A E T 34 S+ 0 0 43 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.072 109.3 48.9 -88.1 23.3 53.2 -4.9 -27.4 75 85 A F T <> S+ 0 0 8 -3,-2.4 4,-2.1 3,-0.1 2,-0.5 0.601 105.4 51.6-120.6 -53.4 52.8 -5.0 -23.6 76 86 A M T < S+ 0 0 86 -4,-2.1 -2,-0.1 1,-0.2 -3,-0.1 0.044 124.2 34.5 -75.8 31.4 51.5 -8.6 -23.0 77 87 A K T 4 S+ 0 0 131 -2,-0.5 -1,-0.2 -5,-0.1 -3,-0.1 0.390 117.3 45.9-148.5 -47.0 54.4 -9.7 -25.0 78 88 A K T 4 S+ 0 0 73 -5,-0.2 -2,-0.2 -67,-0.1 -3,-0.1 0.880 89.9 99.3 -75.2 -39.0 57.3 -7.3 -24.4 79 89 A S < - 0 0 22 -4,-2.1 -66,-0.1 -64,-0.2 -67,-0.1 -0.072 60.6-152.0 -54.4 146.7 57.1 -7.3 -20.6 80 90 A F S S+ 0 0 135 -68,-0.4 2,-0.3 -67,-0.1 -1,-0.1 -0.120 82.1 74.9-105.5 29.5 59.3 -9.4 -18.3 81 91 A I S S- 0 0 19 24,-0.0 2,-0.2 25,-0.0 -2,-0.1 -0.987 71.4-148.6-145.7 132.9 56.4 -9.3 -15.8 82 92 A K - 0 0 186 -2,-0.3 -2,-0.1 1,-0.1 -6,-0.0 -0.624 22.7 -92.0-107.4 162.6 53.2 -11.3 -15.9 83 93 A E - 0 0 64 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.141 35.6-118.3 -65.9 160.5 49.6 -10.7 -14.8 84 94 A L - 0 0 30 1,-0.1 138,-0.1 138,-0.0 -1,-0.1 -0.810 22.8-126.4-102.5 140.8 48.2 -11.9 -11.5 85 95 A D - 0 0 112 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.074 52.9 -77.2 -65.6-165.7 45.4 -14.4 -11.4 86 96 A I S S- 0 0 54 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 -0.047 75.8-142.9 -89.8 32.6 42.3 -13.2 -9.4 87 97 A E - 0 0 47 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.211 11.9-116.1 44.4-156.3 44.5 -14.1 -6.3 88 98 A S S S- 0 0 107 1,-0.5 2,-0.3 3,-0.1 -1,-0.1 0.290 81.4 -21.8-147.3 -31.7 43.4 -15.7 -3.0 89 99 A T S S- 0 0 53 1,-0.1 -1,-0.5 2,-0.1 -56,-0.1 -0.915 71.2 -85.1-166.1-171.2 44.2 -12.8 -0.5 90 100 A S S S+ 0 0 7 -58,-0.3 9,-0.2 -2,-0.3 -1,-0.1 0.967 104.1 39.6 -76.5 -57.7 46.2 -9.7 0.0 91 101 A N - 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