==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-OCT-02 1O73 . COMPND 2 MOLECULE: TRYPAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.GABRIELSEN,M.S.ALPHEY,C.S.BOND,W.N.HUNTER . 144 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.4 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 . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 M 0 0 195 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 167.4 25.8 8.8 -21.1 2 2 A S > - 0 0 26 1,-0.1 3,-0.9 8,-0.1 4,-0.2 -0.501 360.0-136.7 -75.3 141.1 22.5 7.8 -19.4 3 3 A G G > S+ 0 0 2 114,-1.8 3,-2.2 1,-0.3 115,-0.2 0.879 105.6 62.6 -65.9 -36.3 22.7 6.0 -16.1 4 4 A L G >> S+ 0 0 1 113,-1.0 4,-3.0 1,-0.3 3,-2.0 0.728 86.9 73.8 -60.0 -21.3 20.1 3.5 -17.2 5 5 A A G <4 S+ 0 0 35 -3,-0.9 -1,-0.3 1,-0.3 5,-0.2 0.663 81.2 70.4 -68.1 -13.6 22.6 2.5 -19.9 6 6 A K G <4 S+ 0 0 142 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.529 118.6 18.5 -79.0 -3.1 24.5 0.7 -17.2 7 7 A Y T <4 S+ 0 0 26 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.642 121.0 50.3-131.8 -46.2 21.5 -1.7 -17.2 8 8 A L S < S- 0 0 5 -4,-3.0 -1,-0.3 1,-0.1 4,-0.1 -0.632 98.0 -79.5-100.2 159.7 19.4 -1.5 -20.4 9 9 A P > - 0 0 42 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.332 42.2-131.7 -57.6 133.9 20.7 -1.7 -24.0 10 10 A G T 3 S+ 0 0 57 1,-0.3 13,-0.3 -5,-0.2 -8,-0.1 0.908 101.9 38.2 -54.7 -55.4 22.1 1.7 -25.0 11 11 A A T 3 S+ 0 0 108 11,-0.1 2,-0.5 12,-0.1 -1,-0.3 0.043 93.6 124.8 -88.0 29.2 20.4 2.3 -28.4 12 12 A T < - 0 0 16 -3,-1.4 2,-0.4 -4,-0.1 11,-0.4 -0.789 51.2-151.5 -95.9 123.2 17.3 0.8 -27.0 13 13 A N - 0 0 69 -2,-0.5 9,-0.2 9,-0.1 2,-0.2 -0.797 17.7-133.0 -91.4 133.7 14.0 2.7 -27.1 14 14 A L B -A 21 0A 0 7,-2.4 7,-1.3 -2,-0.4 75,-0.2 -0.509 25.1-109.5 -82.2 155.0 11.6 1.8 -24.3 15 15 A L B +B 88 0B 33 73,-2.9 73,-1.2 5,-0.2 2,-0.3 -0.471 43.3 163.5 -82.3 158.0 7.9 1.2 -25.2 16 16 A S > - 0 0 28 71,-0.2 3,-0.8 -2,-0.1 71,-0.1 -0.979 50.0-110.4-165.5 165.5 5.1 3.6 -24.3 17 17 A K T 3 S+ 0 0 102 69,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.768 118.5 44.6 -73.6 -27.0 1.5 4.5 -25.1 18 18 A S T 3 S- 0 0 109 1,-0.4 -1,-0.3 -3,-0.0 -3,-0.0 -0.343 128.7 -67.8-114.1 49.4 2.6 7.8 -26.7 19 19 A G S < S- 0 0 43 -3,-0.8 -1,-0.4 2,-0.1 2,-0.3 0.061 71.5 -50.3 89.1 161.6 5.6 6.5 -28.8 20 20 A E - 0 0 121 -3,-0.1 2,-0.3 -5,-0.1 -5,-0.2 -0.545 53.2-155.9 -73.5 127.6 9.0 5.1 -28.0 21 21 A V B -A 14 0A 32 -7,-1.3 -7,-2.4 -2,-0.3 2,-0.1 -0.788 12.9-125.8-103.2 147.4 11.0 7.2 -25.6 22 22 A S - 0 0 56 -2,-0.3 3,-0.3 -9,-0.2 4,-0.3 -0.432 21.7-114.5 -86.1 166.2 14.8 7.1 -25.4 23 23 A L S > S+ 0 0 7 -11,-0.4 3,-1.7 -13,-0.3 -19,-0.2 0.887 116.3 59.6 -64.7 -39.2 16.8 6.3 -22.3 24 24 A G G > S+ 0 0 39 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.812 89.6 69.5 -59.9 -31.4 18.1 9.8 -22.4 25 25 A S G 3 S+ 0 0 60 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.652 91.3 62.8 -63.8 -13.4 14.7 11.3 -22.2 26 26 A L G X S+ 0 0 5 -3,-1.7 3,-2.4 -4,-0.3 -1,-0.3 0.367 72.8 139.7 -92.0 3.7 14.6 10.1 -18.6 27 27 A V T < S+ 0 0 99 -3,-2.1 3,-0.1 1,-0.3 -25,-0.0 -0.178 71.0 16.8 -49.3 133.1 17.5 12.3 -17.5 28 28 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 88,-0.0 2,-0.1 0.196 103.7 111.6 88.1 -17.9 16.9 13.8 -14.1 29 29 A K < - 0 0 53 -3,-2.4 88,-1.8 87,-0.0 2,-0.5 -0.419 69.5-121.7 -89.1 164.6 14.1 11.4 -13.1 30 30 A T E -cD 63 116B 22 32,-1.9 34,-2.0 86,-0.2 2,-0.5 -0.903 34.9-151.3 -99.4 129.0 14.0 8.6 -10.6 31 31 A V E -cD 64 115B 0 84,-3.8 84,-3.4 -2,-0.5 2,-0.5 -0.910 10.8-157.6-114.4 133.9 13.2 5.3 -12.4 32 32 A F E -cD 65 114B 1 32,-2.8 34,-2.8 -2,-0.5 2,-0.7 -0.910 9.0-150.7-104.7 123.8 11.4 2.3 -11.0 33 33 A L E -cD 66 113B 1 80,-2.6 80,-1.8 -2,-0.5 2,-0.7 -0.874 16.7-155.2 -92.6 117.6 12.0 -1.0 -12.8 34 34 A Y E -cD 67 112B 0 32,-3.6 34,-3.7 -2,-0.7 2,-0.9 -0.857 5.9-161.5-100.9 111.1 8.8 -2.9 -12.2 35 35 A F E +cD 68 111B 0 76,-3.0 76,-1.4 -2,-0.7 2,-0.2 -0.790 41.1 119.9 -92.8 102.5 9.3 -6.7 -12.4 36 36 A S E -c 69 0B 0 32,-1.1 34,-1.7 -2,-0.9 2,-0.3 -0.756 34.7-168.2-145.3-169.9 5.8 -8.2 -13.0 37 37 A A > - 0 0 7 -2,-0.2 3,-0.5 32,-0.2 2,-0.1 -0.971 33.9 -86.1-176.3 166.8 3.7 -10.3 -15.4 38 38 A S T 3 S+ 0 0 24 -2,-0.3 34,-0.1 1,-0.2 38,-0.0 -0.476 109.0 35.6 -79.8 160.6 0.2 -11.4 -16.4 39 39 A W T 3 S+ 0 0 172 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.828 84.1 123.0 65.3 31.3 -1.0 -14.5 -14.5 40 40 A a X> - 0 0 18 -3,-0.5 4,-1.7 1,-0.2 3,-1.0 -0.906 50.6-156.3-126.9 100.1 0.7 -13.5 -11.3 41 41 A P H 3> S+ 0 0 91 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.863 91.6 43.1 -40.6 -58.6 -1.8 -13.3 -8.4 42 42 A P H 3> S+ 0 0 76 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.739 108.2 62.2 -67.1 -20.4 0.1 -10.9 -6.1 43 43 A a H <> S+ 0 0 0 -3,-1.0 4,-3.3 2,-0.2 3,-0.2 0.926 99.1 54.7 -66.9 -44.0 1.0 -8.8 -9.1 44 44 A R H < S+ 0 0 141 -4,-1.7 -1,-0.2 -3,-0.3 -6,-0.0 0.842 109.7 47.9 -56.3 -35.9 -2.7 -8.1 -9.7 45 45 A G H X S+ 0 0 58 -4,-1.1 4,-0.5 1,-0.1 -1,-0.3 0.811 118.2 39.6 -76.7 -29.3 -2.9 -6.8 -6.2 46 46 A F H X S+ 0 0 3 -4,-1.5 4,-2.2 -3,-0.2 5,-0.2 0.847 99.5 69.4 -89.9 -36.2 0.1 -4.6 -6.5 47 47 A T H X S+ 0 0 20 -4,-3.3 4,-2.7 1,-0.2 -3,-0.1 0.864 101.0 47.5 -52.0 -44.1 -0.1 -3.1 -10.0 48 48 A P H > S+ 0 0 77 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.912 111.0 49.4 -68.0 -41.3 -3.2 -0.9 -9.2 49 49 A V H X S+ 0 0 44 -4,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.871 114.7 47.4 -64.6 -33.1 -1.7 0.5 -6.0 50 50 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.922 111.2 50.6 -70.1 -44.3 1.4 1.2 -8.0 51 51 A A H X S+ 0 0 24 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.889 109.1 50.8 -60.4 -41.6 -0.6 2.8 -10.8 52 52 A E H X S+ 0 0 106 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.853 110.6 50.0 -64.7 -34.6 -2.5 5.0 -8.3 53 53 A F H X S+ 0 0 7 -4,-1.4 4,-2.0 -5,-0.2 5,-0.4 0.875 111.7 49.6 -70.2 -37.3 0.9 6.1 -6.9 54 54 A Y H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.966 111.4 44.8 -66.5 -56.0 2.1 6.9 -10.4 55 55 A E H < S+ 0 0 117 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.885 117.9 46.6 -58.2 -39.0 -0.9 9.0 -11.6 56 56 A K H < S+ 0 0 120 -4,-1.6 -1,-0.2 -5,-0.3 4,-0.2 0.871 133.4 6.4 -72.9 -37.3 -0.9 10.9 -8.3 57 57 A H H X S+ 0 0 30 -4,-2.0 4,-3.0 -5,-0.1 5,-0.3 0.586 92.7 96.1-127.0 -13.0 2.8 11.6 -8.0 58 58 A H T <>S+ 0 0 35 -4,-2.8 5,-2.1 -5,-0.4 4,-0.2 0.854 95.5 44.0 -54.0 -34.0 5.0 10.6 -11.0 59 59 A V T >45S+ 0 0 112 -5,-0.4 3,-1.0 -4,-0.2 -1,-0.2 0.989 119.5 38.1 -72.8 -59.2 4.8 14.2 -12.4 60 60 A A T 345S+ 0 0 88 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.871 124.1 40.7 -59.2 -42.4 5.4 16.2 -9.2 61 61 A K T 3<5S- 0 0 68 -4,-3.0 -1,-0.3 2,-0.1 -31,-0.2 0.380 108.9-127.9 -89.9 3.4 8.0 13.8 -7.8 62 62 A N T < 5 + 0 0 66 -3,-1.0 -32,-1.9 -5,-0.3 2,-0.3 0.947 56.4 130.8 51.9 68.9 9.6 13.3 -11.2 63 63 A F E < -c 30 0B 0 -5,-2.1 2,-0.3 -34,-0.2 -32,-0.2 -0.943 36.8-156.3-144.2 165.0 9.7 9.5 -11.7 64 64 A E E -c 31 0B 26 -34,-2.0 -32,-2.8 -2,-0.3 2,-0.4 -0.917 12.7-135.3-136.7 163.6 8.9 6.9 -14.2 65 65 A V E -c 32 0B 0 -2,-0.3 22,-2.6 -34,-0.2 2,-0.5 -0.962 12.4-163.2-122.8 139.3 8.1 3.2 -14.2 66 66 A V E -ce 33 87B 0 -34,-2.8 -32,-3.6 -2,-0.4 2,-0.5 -0.990 18.8-133.3-125.4 120.2 9.6 0.7 -16.6 67 67 A L E -ce 34 88B 0 20,-2.5 22,-2.4 -2,-0.5 2,-0.8 -0.628 15.2-167.5 -77.2 119.5 7.9 -2.7 -16.9 68 68 A I E -c 35 0B 0 -34,-3.7 -32,-1.1 -2,-0.5 2,-0.1 -0.911 25.8-145.5-107.5 99.1 10.5 -5.5 -16.8 69 69 A S E -c 36 0B 3 -2,-0.8 -32,-0.2 20,-0.3 -34,-0.1 -0.380 34.1-177.9 -76.5 144.8 8.3 -8.4 -18.0 70 70 A W + 0 0 90 -34,-1.7 -33,-0.2 -2,-0.1 -1,-0.1 0.000 41.3 141.7-119.6 18.4 8.4 -12.1 -16.9 71 71 A D - 0 0 6 -35,-0.2 -32,-0.1 1,-0.1 3,-0.1 -0.384 54.8-134.8 -66.1 143.2 5.5 -12.9 -19.3 72 72 A E S S+ 0 0 176 -34,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.784 83.2 22.2 -70.5 -28.9 5.9 -16.3 -21.1 73 73 A N S > S- 0 0 60 1,-0.1 4,-2.2 0, 0.0 3,-0.3 -0.978 75.9-114.4-143.4 156.3 4.9 -14.9 -24.5 74 74 A E H > S+ 0 0 99 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.753 112.7 55.1 -57.4 -31.4 4.8 -11.6 -26.5 75 75 A S H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 109.6 45.8 -72.0 -42.6 1.0 -11.6 -26.8 76 76 A D H > S+ 0 0 29 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.887 110.5 56.6 -63.7 -37.5 0.6 -11.8 -23.0 77 77 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.956 110.6 42.8 -56.5 -52.7 3.2 -9.1 -22.7 78 78 A H H X S+ 0 0 95 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.788 112.9 50.1 -66.8 -33.7 1.2 -6.7 -24.9 79 79 A D H < S+ 0 0 97 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.968 116.8 43.3 -68.4 -49.4 -2.2 -7.4 -23.4 80 80 A Y H >< S+ 0 0 36 -4,-2.3 3,-1.5 1,-0.2 4,-0.2 0.950 116.3 44.5 -58.3 -56.8 -0.7 -6.9 -19.9 81 81 A Y H >< S+ 0 0 11 -4,-3.0 3,-2.3 -5,-0.3 -1,-0.2 0.829 98.2 74.5 -61.6 -32.4 1.4 -3.8 -20.7 82 82 A G T 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.721 94.4 52.9 -54.0 -22.0 -1.5 -2.2 -22.7 83 83 A K T < S+ 0 0 181 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.503 93.6 87.5 -93.8 -4.1 -3.3 -1.4 -19.4 84 84 A M < - 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