==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 17-JUL-07 2JSX . COMPND 2 MOLECULE: PROTEIN NAPD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.A.E.M.SPRONK,G.W.VUISTER,F.SARGENT . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 71.6 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 . 24 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 1 1.1 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 . 20 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 1 0 0 1 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 1 1 0 1 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 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 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 0 201 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 86.1 18.1 3.0 2 2 A H - 0 0 142 3,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.827 360.0-161.3 -88.2 107.9 83.3 17.5 0.6 3 3 A T - 0 0 51 -2,-0.9 2,-1.6 1,-0.1 49,-0.0 -0.472 34.0 -89.9 -85.7 163.2 84.5 14.4 -1.2 4 4 A N - 0 0 163 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.621 61.7-177.1 -77.7 90.0 83.1 13.2 -4.6 5 5 A W - 0 0 95 -2,-1.6 2,-0.4 47,-0.1 46,-0.2 -0.396 17.2-134.6 -85.9 165.0 80.4 11.1 -3.1 6 6 A Q E -A 50 0A 46 44,-1.5 44,-1.7 -2,-0.1 2,-0.3 -0.968 4.1-147.2-127.7 142.3 78.0 8.9 -4.9 7 7 A V E -A 49 0A 82 -2,-0.4 2,-0.4 42,-0.2 42,-0.3 -0.773 17.6-167.0-100.5 147.6 74.3 8.5 -4.5 8 8 A C E -A 48 0A 4 40,-2.4 40,-2.9 -2,-0.3 2,-0.3 -0.986 14.1-139.6-142.0 131.6 72.8 5.1 -5.2 9 9 A S E -A 47 0A 34 -2,-0.4 66,-2.6 38,-0.2 2,-0.5 -0.637 17.1-155.8 -85.0 144.0 69.2 4.0 -5.6 10 10 A L E -AB 46 74A 0 36,-1.7 36,-2.1 -2,-0.3 2,-1.0 -0.993 10.0-151.9-123.3 125.7 68.1 0.8 -4.0 11 11 A V E -AB 45 73A 43 62,-3.2 62,-3.3 -2,-0.5 2,-0.7 -0.882 23.0-165.0 -96.2 101.5 65.2 -1.2 -5.2 12 12 A V E -AB 44 72A 0 32,-3.2 32,-2.4 -2,-1.0 2,-0.7 -0.841 10.4-161.0 -95.7 115.4 64.1 -2.8 -2.0 13 13 A Q E +AB 43 71A 63 58,-3.4 57,-3.2 -2,-0.7 58,-2.1 -0.889 31.7 155.0 -93.0 116.6 61.8 -5.7 -2.3 14 14 A A E - B 0 69A 1 28,-2.8 2,-0.4 -2,-0.7 55,-0.2 -0.809 53.4 -58.6-136.0 172.3 60.2 -6.1 1.0 15 15 A K > - 0 0 72 53,-2.4 3,-1.0 -2,-0.3 4,-0.4 -0.472 44.0-147.6 -56.5 114.6 57.1 -7.5 2.7 16 16 A S T 3 S+ 0 0 53 -2,-0.4 3,-0.3 1,-0.3 26,-0.2 0.738 98.4 52.1 -58.4 -26.7 54.3 -5.5 0.9 17 17 A E T 3 S+ 0 0 169 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.800 111.2 45.3 -77.5 -29.4 52.4 -5.7 4.2 18 18 A R S <> S+ 0 0 71 -3,-1.0 4,-2.4 1,-0.2 3,-0.4 0.250 77.4 114.4-105.0 12.8 55.2 -4.4 6.3 19 19 A I H > S+ 0 0 8 -4,-0.4 4,-3.0 -3,-0.3 5,-0.3 0.842 71.9 55.2 -55.5 -39.2 56.1 -1.5 4.0 20 20 A S H > S+ 0 0 88 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.917 111.4 43.4 -65.2 -42.7 55.1 1.2 6.4 21 21 A D H > S+ 0 0 104 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.957 117.1 46.4 -65.6 -49.0 57.4 -0.1 9.2 22 22 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.925 112.6 48.1 -61.6 -49.9 60.3 -0.7 6.8 23 23 A S H X S+ 0 0 22 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.925 112.3 49.4 -59.7 -46.2 60.1 2.6 5.0 24 24 A T H < S+ 0 0 101 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.932 115.0 44.5 -57.8 -48.9 59.9 4.6 8.2 25 25 A Q H >< S+ 0 0 88 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.913 113.7 49.2 -62.8 -46.3 62.9 2.7 9.6 26 26 A L H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.832 105.7 56.4 -66.7 -33.0 65.0 3.0 6.4 27 27 A N T 3< S+ 0 0 65 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.601 99.2 63.4 -75.0 -8.6 64.4 6.7 6.1 28 28 A A T < S+ 0 0 83 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.299 83.7 103.4 -95.7 7.0 65.9 7.0 9.6 29 29 A F S X S- 0 0 33 -3,-1.6 3,-1.3 3,-0.2 2,-0.7 -0.578 88.3 -93.0 -86.7 154.8 69.2 5.7 8.3 30 30 A P T 3 S- 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.563 108.6 -2.1 -75.9 111.3 72.1 8.1 7.6 31 31 A G T 3 S+ 0 0 34 -2,-0.7 18,-1.9 1,-0.3 2,-0.5 0.471 104.2 122.4 90.8 0.9 72.0 9.2 4.1 32 32 A C E < +C 48 0A 6 -3,-1.3 2,-0.4 16,-0.2 -1,-0.3 -0.874 34.0 175.7-102.8 124.6 69.1 7.1 3.2 33 33 A E E -C 47 0A 106 14,-2.4 14,-3.2 -2,-0.5 2,-0.9 -0.993 30.1-130.2-125.4 134.3 65.9 8.7 1.8 34 34 A V E +C 46 0A 20 -2,-0.4 12,-0.3 12,-0.2 3,-0.1 -0.756 32.1 171.0 -85.4 108.9 62.9 6.8 0.7 35 35 A A E + 0 0 60 10,-2.4 2,-0.4 -2,-0.9 -1,-0.2 0.943 64.2 19.8 -83.9 -54.1 62.2 8.3 -2.7 36 36 A V E -C 45 0A 83 9,-1.0 9,-3.2 2,-0.0 2,-0.4 -0.932 61.4-171.4-123.4 139.5 59.5 5.9 -4.0 37 37 A S E +C 44 0A 79 -2,-0.4 2,-0.8 7,-0.2 7,-0.2 -0.883 6.2 177.4-136.2 103.7 57.2 3.7 -2.0 38 38 A D E >> -C 43 0A 59 5,-3.2 5,-2.0 -2,-0.4 4,-2.0 -0.856 2.6-178.6-108.0 93.9 55.0 1.2 -3.8 39 39 A A T 45S+ 0 0 45 -2,-0.8 -1,-0.2 3,-0.2 -20,-0.1 0.878 75.2 61.9 -59.3 -44.4 53.3 -0.8 -1.1 40 40 A P T 45S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 0.879 117.8 28.6 -52.5 -44.4 51.3 -3.2 -3.5 41 41 A S T 45S- 0 0 51 -3,-0.2 -25,-0.2 2,-0.1 -2,-0.2 0.767 109.5-120.5 -88.3 -26.1 54.4 -4.7 -4.9 42 42 A G T <5 + 0 0 0 -4,-2.0 -28,-2.8 1,-0.3 2,-0.5 0.730 60.3 150.6 91.1 25.6 56.5 -4.1 -1.8 43 43 A Q E < -AC 13 38A 81 -5,-2.0 -5,-3.2 -30,-0.2 2,-0.5 -0.822 23.0-178.1-100.1 125.7 59.0 -1.9 -3.6 44 44 A L E -AC 12 37A 0 -32,-2.4 -32,-3.2 -2,-0.5 2,-0.7 -0.990 14.4-153.3-121.5 123.9 60.8 0.8 -1.8 45 45 A I E -AC 11 36A 31 -9,-3.2 -10,-2.4 -2,-0.5 -9,-1.0 -0.898 18.7-177.8 -97.2 117.9 63.2 3.0 -3.6 46 46 A V E -AC 10 34A 0 -36,-2.1 -36,-1.7 -2,-0.7 2,-0.6 -0.971 14.0-154.3-120.9 126.1 65.8 4.2 -1.2 47 47 A V E -AC 9 33A 42 -14,-3.2 -14,-2.4 -2,-0.5 2,-0.5 -0.904 11.6-167.7-103.0 123.1 68.4 6.6 -2.3 48 48 A V E -AC 8 32A 0 -40,-2.9 -40,-2.4 -2,-0.6 2,-0.5 -0.956 4.6-170.5-113.9 129.2 71.6 6.5 -0.3 49 49 A E E +A 7 0A 87 -18,-1.9 2,-0.4 -2,-0.5 -42,-0.2 -0.983 14.5 166.8-120.6 122.4 74.2 9.2 -0.5 50 50 A A E -A 6 0A 9 -44,-1.7 -44,-1.5 -2,-0.5 6,-0.2 -0.992 40.2-123.3-140.8 147.6 77.5 8.7 1.2 51 51 A E S S+ 0 0 121 -2,-0.4 2,-0.3 -46,-0.2 -1,-0.1 0.901 93.8 26.2 -50.4 -61.2 81.0 10.3 1.2 52 52 A D S > S- 0 0 86 -47,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.779 80.9-117.1-111.2 155.3 83.1 7.3 0.3 53 53 A S H > S+ 0 0 64 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.853 118.5 49.5 -57.5 -34.9 82.2 4.1 -1.6 54 54 A E H > S+ 0 0 133 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.884 106.4 54.2 -73.7 -37.5 82.9 2.1 1.5 55 55 A T H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.867 108.2 52.3 -63.1 -35.2 80.8 4.4 3.7 56 56 A L H X S+ 0 0 3 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.938 108.1 49.5 -63.4 -47.6 78.0 3.7 1.3 57 57 A I H X S+ 0 0 93 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.921 108.3 53.7 -59.3 -46.3 78.5 -0.1 1.6 58 58 A Q H X S+ 0 0 120 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.877 114.6 41.9 -54.7 -41.3 78.4 0.2 5.5 59 59 A T H X S+ 0 0 18 -4,-1.8 4,-1.8 2,-0.2 3,-0.3 0.953 115.1 47.9 -73.6 -49.4 75.1 2.0 5.2 60 60 A I H X S+ 0 0 6 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.863 107.9 56.1 -62.5 -37.6 73.6 -0.2 2.5 61 61 A E H < S+ 0 0 125 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.892 106.0 51.4 -62.6 -36.9 74.6 -3.4 4.3 62 62 A S H >< S+ 0 0 57 -4,-1.0 3,-1.3 -3,-0.3 -1,-0.2 0.905 105.7 55.2 -67.3 -38.2 72.7 -2.1 7.3 63 63 A V H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.899 106.8 51.2 -58.6 -39.7 69.6 -1.5 5.1 64 64 A R T 3< S+ 0 0 147 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.546 99.0 67.7 -76.6 -8.6 69.9 -5.2 4.1 65 65 A N T < S+ 0 0 122 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.360 77.3 107.6 -93.7 4.8 69.9 -6.2 7.7 66 66 A V S X S- 0 0 12 -3,-1.2 3,-1.3 -4,-0.1 2,-0.7 -0.656 74.9-120.5 -85.5 135.9 66.4 -5.1 8.4 67 67 A E T 3 S+ 0 0 131 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.669 100.4 46.2 -72.0 117.7 63.7 -7.6 8.9 68 68 A G T 3 S+ 0 0 2 -2,-0.7 -53,-2.4 1,-0.5 2,-0.4 -0.117 83.9 104.6 141.3 -30.7 61.2 -7.0 6.3 69 69 A V E < +B 14 0A 23 -3,-1.3 -1,-0.5 -55,-0.2 -55,-0.3 -0.624 39.6 177.7 -81.0 130.6 63.5 -6.6 3.4 70 70 A L E S- 0 0 110 -57,-3.2 2,-0.4 1,-0.4 -56,-0.2 0.869 70.0 -1.4 -98.0 -53.0 63.6 -9.6 1.1 71 71 A A E -B 13 0A 46 -58,-2.1 -58,-3.4 2,-0.0 2,-0.6 -1.000 56.9-153.3-143.8 134.6 66.0 -8.5 -1.5 72 72 A V E -B 12 0A 10 -2,-0.4 2,-0.8 -60,-0.2 -60,-0.2 -0.947 11.2-161.4-108.2 112.0 67.9 -5.3 -2.1 73 73 A S E -B 11 0A 67 -62,-3.3 -62,-3.2 -2,-0.6 2,-0.5 -0.852 12.3-146.6 -93.8 107.8 68.6 -4.6 -5.6 74 74 A L E -B 10 0A 43 -2,-0.8 -64,-0.2 -64,-0.2 3,-0.1 -0.684 3.8-153.6 -79.8 122.7 71.4 -2.1 -5.8 75 75 A V S S+ 0 0 88 -66,-2.6 2,-0.6 -2,-0.5 -1,-0.2 0.730 89.3 51.3 -68.5 -21.0 71.0 0.1 -8.8 76 76 A Y S S+ 0 0 137 -67,-0.5 2,-0.4 -3,-0.0 -1,-0.2 -0.923 76.2 158.2-121.7 104.9 74.7 0.7 -8.8 77 77 A H - 0 0 151 -2,-0.6 2,-0.2 -3,-0.1 -4,-0.0 -0.954 20.7-164.9-130.8 147.2 76.7 -2.5 -8.6 78 78 A Q - 0 0 135 -2,-0.4 3,-0.1 1,-0.2 2,-0.1 -0.559 34.7 -88.9-113.0-178.0 80.2 -3.5 -9.5 79 79 A Q - 0 0 140 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 -0.256 56.3 -81.3 -79.5 177.1 81.8 -6.8 -10.0 80 80 A E - 0 0 143 1,-0.1 -1,-0.2 -2,-0.1 3,-0.2 -0.480 37.4-117.2 -75.4 157.1 83.3 -8.7 -7.1 81 81 A E + 0 0 149 1,-0.2 2,-2.9 -2,-0.1 -1,-0.1 0.908 45.4 175.1 -59.6 -42.5 86.8 -7.7 -6.2 82 82 A Q - 0 0 143 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 -0.259 47.0 -93.9 69.8 -51.7 88.0 -11.2 -7.2 83 83 A G - 0 0 45 -2,-2.9 2,-0.6 -3,-0.2 3,-0.0 0.039 29.9-103.3 113.6 132.7 91.6 -10.4 -6.6 84 84 A E - 0 0 149 1,-0.1 -2,-0.1 -2,-0.1 -3,-0.0 -0.808 21.6-157.4 -91.8 122.9 94.2 -9.3 -9.0 85 85 A E S S+ 0 0 174 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.700 89.3 28.3 -72.8 -22.0 96.5 -12.2 -10.0 86 86 A T S S- 0 0 110 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.912 93.0-131.8-141.2 109.8 99.2 -9.7 -11.0 87 87 A P - 0 0 92 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.099 15.3-131.3 -66.0 160.9 99.2 -6.4 -9.2 88 88 A R - 0 0 199 1,-0.2 2,-0.4 -4,-0.0 -4,-0.0 -0.162 46.9 -53.0 -96.3-169.0 99.5 -3.0 -10.8 89 89 A S - 0 0 81 -2,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.566 51.5-166.1 -75.6 125.1 101.7 -0.1 -10.0 90 90 A H - 0 0 123 -2,-0.4 -1,-0.0 -3,-0.1 0, 0.0 -0.893 10.2-166.3-108.4 143.6 101.6 1.1 -6.5 91 91 A H + 0 0 152 -2,-0.4 2,-1.3 2,-0.1 -2,-0.0 -0.231 35.4 139.1-126.6 44.2 103.1 4.5 -5.5 92 92 A H + 0 0 155 2,-0.0 2,-0.5 3,-0.0 3,-0.1 -0.748 30.5 174.3 -90.1 92.8 103.2 4.2 -1.8 93 93 A H - 0 0 141 -2,-1.3 -2,-0.1 1,-0.1 0, 0.0 -0.907 32.1-170.3-110.9 130.7 106.6 5.9 -1.2 94 94 A H 0 0 198 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.697 360.0 360.0 -83.7 -23.7 108.0 6.7 2.2 95 95 A H 0 0 222 -3,-0.1 -1,-0.3 0, 0.0 -3,-0.0 -0.897 360.0 360.0-137.9 360.0 110.7 8.6 0.4