==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-JUL-03 1OKD . COMPND 2 MOLECULE: TRYPAREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CRITHIDIA FASCICULATA; . AUTHOR D.KRUMME,H.BUDDE,H.-J.HECHT,U.MENGE,O.OHLENSCHLAGER,A.ROSS, . 147 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 2 A S > 0 0 106 0, 0.0 4,-0.7 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 -73.2 -5.3 15.1 5.4 2 3 A G H >> + 0 0 6 113,-0.3 4,-3.4 2,-0.2 3,-0.9 0.933 360.0 57.6 -79.0 -49.3 -2.4 14.2 3.2 3 4 A L H 3> S+ 0 0 20 112,-0.3 4,-0.5 1,-0.3 6,-0.2 0.762 111.0 47.6 -52.9 -25.6 -3.7 10.9 1.8 4 5 A D H 34 S+ 0 0 93 112,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.755 115.4 43.6 -87.1 -27.5 -6.7 12.9 0.6 5 6 A K H << S+ 0 0 164 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.914 105.8 58.8 -82.4 -47.7 -4.5 15.7 -0.9 6 7 A Y H < S+ 0 0 34 -4,-3.4 -3,-0.2 2,-0.1 -1,-0.1 0.820 113.0 45.5 -50.9 -33.7 -1.9 13.5 -2.6 7 8 A L S < S- 0 0 23 -4,-0.5 85,-0.0 -5,-0.4 87,-0.0 -0.515 102.8 -97.0-106.0 175.7 -4.8 11.9 -4.6 8 9 A P S S- 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.361 81.1 -79.3 -74.3 7.3 -7.8 13.4 -6.4 9 10 A G - 0 0 38 -6,-0.2 -5,-0.1 -5,-0.2 -4,-0.1 0.881 55.9-156.3 95.6 50.8 -9.9 12.8 -3.4 10 11 A I - 0 0 14 1,-0.1 -1,-0.1 82,-0.1 3,-0.1 -0.331 15.4-179.8 -60.0 134.5 -10.8 9.1 -3.5 11 12 A E + 0 0 159 1,-0.2 11,-3.3 11,-0.1 12,-0.4 0.727 64.2 31.5-106.3 -34.0 -13.9 8.2 -1.6 12 13 A K E -A 21 0A 82 9,-0.3 9,-0.3 10,-0.1 2,-0.3 -0.906 66.4-147.7-127.8 156.3 -14.2 4.5 -2.1 13 14 A L E -A 20 0A 8 7,-3.6 7,-2.1 -2,-0.3 75,-0.2 -0.760 28.2-116.9-118.5 165.1 -11.7 1.6 -2.6 14 15 A R + 0 0 49 73,-2.8 4,-0.1 -2,-0.3 74,-0.1 0.460 48.4 169.9 -79.2 -0.5 -11.8 -1.6 -4.6 15 16 A R - 0 0 116 5,-0.2 -1,-0.2 72,-0.1 4,-0.1 0.091 51.4 -78.4 27.5-100.3 -11.5 -3.5 -1.3 16 17 A G S S+ 0 0 24 -3,-0.2 69,-0.1 70,-0.1 67,-0.0 0.077 115.4 32.6-147.6 -96.0 -12.2 -7.1 -2.5 17 18 A D S S- 0 0 185 67,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.787 137.4 -39.5 -46.2 -30.3 -15.6 -8.6 -3.3 18 19 A G S S- 0 0 31 -4,-0.1 2,-0.3 -5,-0.0 0, 0.0 -0.218 96.0 -38.0-157.2-108.7 -16.6 -5.1 -4.4 19 20 A E - 0 0 92 -4,-0.1 2,-0.3 -2,-0.1 -5,-0.2 -0.954 39.0-160.9-140.2 158.2 -15.9 -1.7 -3.0 20 21 A V E -A 13 0A 31 -7,-2.1 -7,-3.6 -2,-0.3 -5,-0.2 -1.000 27.9-104.1-143.8 141.6 -15.6 -0.0 0.4 21 22 A E E > -A 12 0A 81 -2,-0.3 3,-0.9 -9,-0.3 -9,-0.3 -0.194 24.3-126.8 -61.1 153.1 -15.7 3.6 1.6 22 23 A V G > S+ 0 0 36 -11,-3.3 3,-3.1 1,-0.2 -10,-0.1 0.769 100.9 80.2 -71.6 -27.4 -12.5 5.4 2.6 23 24 A K G > S+ 0 0 147 -12,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.772 75.3 76.0 -51.1 -27.3 -14.0 6.3 6.0 24 25 A S G < S+ 0 0 81 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.659 93.3 53.9 -60.7 -13.8 -13.0 2.7 7.0 25 26 A L G < S+ 0 0 16 -3,-3.1 2,-0.9 91,-0.1 3,-0.4 -0.397 72.3 137.5-117.9 53.1 -9.5 4.0 7.2 26 27 A A S < S- 0 0 83 -3,-0.9 -3,-0.1 1,-0.2 -4,-0.0 -0.767 79.9 -2.6-104.4 88.3 -10.0 7.0 9.5 27 28 A G S S+ 0 0 44 -2,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.871 104.1 106.9 97.9 56.1 -7.2 6.9 12.0 28 29 A K S S- 0 0 26 -3,-0.4 88,-2.1 35,-0.0 2,-0.9 -0.907 75.0 -88.3-149.4 173.7 -5.0 3.9 11.1 29 30 A L E -B 115 0B 13 32,-0.3 34,-1.1 -2,-0.3 2,-0.3 -0.788 46.4-172.9 -95.3 102.2 -1.7 3.0 9.6 30 31 A V E -Bc 114 63B 2 84,-1.6 84,-4.0 -2,-0.9 2,-0.3 -0.749 4.7-161.0 -98.0 142.4 -2.2 2.5 5.8 31 32 A F E -Bc 113 64B 2 32,-1.1 34,-2.6 -2,-0.3 2,-0.4 -0.758 5.8-151.2-116.1 162.2 0.4 1.2 3.4 32 33 A F E -Bc 112 65B 12 80,-3.5 80,-1.5 -2,-0.3 2,-0.6 -0.876 4.8-164.4-141.6 107.0 0.8 1.5 -0.4 33 34 A Y E -Bc 111 66B 18 32,-1.8 34,-2.2 -2,-0.4 2,-0.5 -0.803 10.9-152.9 -93.8 120.1 2.5 -1.1 -2.5 34 35 A F E +Bc 110 67B 0 76,-0.8 76,-1.6 -2,-0.6 2,-0.3 -0.809 40.2 110.5 -95.4 125.8 3.4 -0.0 -6.0 35 36 A S E - c 0 68B 4 32,-1.5 34,-1.2 -2,-0.5 2,-0.3 -0.980 46.5-127.1-174.4 177.2 3.7 -2.7 -8.7 36 37 A A > - 0 0 0 -2,-0.3 3,-0.8 32,-0.2 6,-0.1 -0.930 25.3-119.5-139.8 162.0 2.2 -4.3 -11.8 37 38 A S T 3 S+ 0 0 55 -2,-0.3 -1,-0.1 1,-0.2 33,-0.0 0.782 116.3 50.2 -72.3 -27.7 1.1 -7.8 -13.0 38 39 A W T 3 S+ 0 0 149 -3,-0.0 -1,-0.2 0, 0.0 38,-0.0 0.382 84.4 132.4 -90.7 3.5 3.7 -7.7 -15.8 39 40 A a S < S- 0 0 8 -3,-0.8 -4,-0.0 1,-0.1 31,-0.0 -0.051 71.5-108.7 -52.1 156.9 6.5 -6.7 -13.4 40 41 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.936 113.3 26.6 -56.6 -51.8 9.8 -8.7 -13.6 41 42 A P + 0 0 47 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.987 67.2 152.9 -74.9 -70.7 9.3 -10.6 -10.3 42 43 A a + 0 0 51 -6,-0.1 2,-0.1 1,-0.1 4,-0.0 0.776 55.6 90.3 44.2 30.3 5.5 -10.8 -9.9 43 44 A R S S+ 0 0 207 3,-0.0 -1,-0.1 2,-0.0 3,-0.1 -0.609 89.6 9.2-156.2 87.9 6.2 -13.9 -7.9 44 45 A G S S+ 0 0 41 -2,-0.1 2,-1.5 0, 0.0 4,-0.4 -0.396 100.3 80.4 143.1 -63.0 6.8 -13.7 -4.2 45 46 A F S S+ 0 0 58 1,-0.2 -3,-0.1 2,-0.1 86,-0.0 -0.620 86.4 56.5 -81.4 89.7 6.0 -10.2 -2.9 46 47 A T S >> S+ 0 0 47 -2,-1.5 4,-0.7 -3,-0.1 3,-0.5 0.010 95.3 50.0-173.3 -62.7 2.2 -10.3 -2.6 47 48 A P H 3> S+ 0 0 82 0, 0.0 4,-1.3 0, 0.0 -2,-0.1 0.538 101.2 70.6 -73.5 -5.2 0.9 -13.1 -0.4 48 49 A Q H 3> S+ 0 0 86 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.893 89.5 58.4 -77.3 -41.3 3.3 -12.0 2.3 49 50 A L H <> S+ 0 0 7 -3,-0.5 4,-2.7 1,-0.2 5,-0.3 0.917 107.8 46.9 -52.4 -48.7 1.4 -8.8 3.0 50 51 A I H X S+ 0 0 54 -4,-0.7 4,-3.7 2,-0.2 5,-0.3 0.906 113.0 48.7 -61.8 -44.8 -1.7 -10.7 3.9 51 52 A E H X S+ 0 0 103 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.931 114.9 44.0 -62.5 -47.3 0.1 -13.2 6.1 52 53 A F H X S+ 0 0 35 -4,-3.1 4,-0.6 2,-0.2 -2,-0.2 0.905 123.6 36.5 -64.6 -43.5 2.0 -10.5 8.0 53 54 A Y H >X S+ 0 0 13 -4,-2.7 4,-2.7 -5,-0.3 3,-0.9 0.918 116.1 51.2 -76.4 -46.7 -1.2 -8.3 8.4 54 55 A D H 3< S+ 0 0 111 -4,-3.7 4,-0.2 -5,-0.3 -3,-0.2 0.768 109.1 54.5 -62.0 -26.6 -3.7 -11.1 8.8 55 56 A K H 3< S+ 0 0 128 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.701 128.4 15.0 -81.1 -22.0 -1.5 -12.6 11.6 56 57 A F H > S- 0 0 106 1,-0.1 4,-0.9 0, 0.0 3,-0.8 -0.848 74.4-133.1-115.6 151.6 -3.6 -1.3 -19.1 73 74 A E H 3> S+ 0 0 98 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.763 100.0 75.7 -71.1 -25.9 -6.5 -2.4 -16.8 74 75 A D H 3> S+ 0 0 137 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.802 97.4 48.0 -55.9 -30.5 -6.1 -6.0 -18.1 75 76 A G H <> S+ 0 0 16 -3,-0.8 4,-0.6 2,-0.2 -1,-0.2 0.966 119.3 33.1 -76.2 -56.3 -3.0 -6.3 -16.0 76 77 A F H X S+ 0 0 13 -4,-0.9 4,-3.1 2,-0.2 5,-0.2 0.799 112.8 65.7 -70.0 -30.1 -4.2 -4.9 -12.7 77 78 A A H X S+ 0 0 32 -4,-3.3 4,-0.8 1,-0.3 -1,-0.2 0.959 108.8 35.4 -57.3 -54.4 -7.7 -6.3 -13.3 78 79 A G H < S+ 0 0 55 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.661 116.5 61.3 -72.8 -14.7 -6.6 -9.9 -13.2 79 80 A Y H >X S+ 0 0 33 -4,-0.6 3,-0.8 1,-0.2 4,-0.7 0.886 104.9 42.5 -77.8 -42.8 -4.2 -8.8 -10.5 80 81 A F H 3< S+ 0 0 56 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.606 88.4 93.8 -79.1 -12.9 -6.9 -7.6 -8.1 81 82 A A T 3< S+ 0 0 73 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 0.724 102.8 20.5 -51.8 -23.3 -9.0 -10.7 -8.8 82 83 A K T <4 S+ 0 0 184 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.1 0.780 97.2 90.2-109.0 -71.6 -7.3 -12.2 -5.8 83 84 A M < - 0 0 14 -4,-0.7 4,-0.1 1,-0.1 -17,-0.1 0.021 53.1-163.4 -34.2 122.4 -5.7 -9.7 -3.3 84 85 A P + 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.794 55.5 104.5 -83.6 -31.7 -8.4 -8.8 -0.7 85 86 A W S S- 0 0 16 1,-0.1 2,-0.4 -69,-0.1 -20,-0.2 0.084 87.5 -85.5 -45.1 163.0 -6.7 -5.6 0.6 86 87 A L E -d 65 0B 3 -22,-0.8 -20,-1.6 -72,-0.1 2,-0.4 -0.647 48.8-173.5 -82.7 129.7 -8.1 -2.3 -0.6 87 88 A A E -d 66 0B 2 -2,-0.4 -73,-2.8 -22,-0.3 -20,-0.2 -0.967 29.5-108.6-125.0 138.8 -6.9 -1.0 -3.9 88 89 A V - 0 0 10 -22,-0.9 -20,-0.3 -2,-0.4 -75,-0.1 -0.414 41.0-115.7 -64.3 131.1 -7.5 2.3 -5.6 89 90 A P > - 0 0 18 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.306 24.8-108.0 -67.3 151.4 -9.9 1.9 -8.7 90 91 A F G > S+ 0 0 73 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.788 115.1 77.0 -48.5 -28.8 -8.6 2.7 -12.2 91 92 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.841 106.2 30.1 -52.0 -37.2 -10.8 5.8 -11.9 92 93 A Q G X> S+ 0 0 50 -3,-2.6 3,-1.7 1,-0.2 4,-0.7 -0.003 80.5 123.0-113.0 27.7 -8.2 7.4 -9.6 93 94 A S H X> + 0 0 20 -3,-2.2 4,-1.1 1,-0.3 3,-0.5 0.770 62.8 74.8 -59.0 -24.5 -5.1 5.7 -11.1 94 95 A E H 3> S+ 0 0 121 -4,-0.3 4,-1.8 1,-0.3 3,-0.4 0.860 89.0 58.6 -56.1 -35.8 -3.8 9.2 -11.7 95 96 A A H <> S+ 0 0 3 -3,-1.7 4,-4.6 1,-0.2 -1,-0.3 0.893 98.2 58.5 -59.9 -42.4 -3.1 9.4 -8.0 96 97 A V H X S+ 0 0 119 -4,-1.8 4,-1.0 1,-0.2 3,-0.9 0.843 107.6 68.1 -81.0 -36.4 1.6 11.3 -8.7 99 100 A L H >X S+ 0 0 4 -4,-4.6 4,-1.3 1,-0.3 3,-0.8 0.853 93.5 61.3 -50.8 -37.6 1.6 9.5 -5.3 100 101 A S H >X>S+ 0 0 17 -4,-0.9 5,-1.7 1,-0.3 4,-1.0 0.905 96.0 58.4 -57.1 -44.2 5.0 8.1 -6.3 101 102 A K H <<5S+ 0 0 162 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.813 106.2 50.3 -56.1 -31.0 6.5 11.6 -6.5 102 103 A H H <<5S+ 0 0 97 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.800 116.3 39.7 -77.8 -30.5 5.5 11.9 -2.8 103 104 A F H <<5S- 0 0 11 -4,-1.3 -2,-0.2 -3,-0.5 3,-0.2 0.373 104.4-128.7 -98.5 2.5 7.1 8.6 -1.9 104 105 A N T <5 - 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