==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 28-JUL-09 2KMG . COMPND 2 MOLECULE: KLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR D.SERFIOTIS-MITSA,A.P.HERBERT,G.A.ROBERTS,D.C.SOARES, . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 72.5 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 . 15 10.6 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 . 1 0.7 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 . 15 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 2 0 1 0 0 0 0 0 1 0 0 1 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 208 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.8 5.3 3.4 24.1 2 2 A N - 0 0 87 3,-0.2 4,-0.0 2,-0.1 0, 0.0 -0.388 360.0-137.0 -96.6 176.8 1.5 2.9 24.3 3 3 A T S S+ 0 0 147 -2,-0.1 3,-0.1 3,-0.0 -1,-0.1 0.487 94.4 15.2-110.2 -10.2 -0.5 -0.1 25.6 4 4 A E S S+ 0 0 155 1,-0.3 -2,-0.1 0, 0.0 0, 0.0 0.449 118.1 30.2-124.1 -93.4 -3.1 -0.1 22.8 5 5 A E S S- 0 0 106 1,-0.1 -1,-0.3 125,-0.1 -3,-0.2 0.003 83.5-101.9 -65.5 177.8 -2.6 1.8 19.5 6 6 A Q - 0 0 40 120,-0.2 -1,-0.1 2,-0.2 -3,-0.0 -0.882 11.0-135.1-110.3 138.4 0.8 2.4 17.9 7 7 A P S S+ 0 0 76 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.385 74.7 114.2 -69.1 6.3 2.7 5.8 18.1 8 8 A V + 0 0 31 118,-0.1 2,-0.3 115,-0.1 -2,-0.2 -0.665 41.5 171.6 -84.0 130.5 3.4 5.2 14.4 9 9 A T - 0 0 85 -2,-0.4 51,-0.7 49,-0.0 52,-0.1 -1.000 26.1-127.0-142.3 140.3 1.8 7.7 12.0 10 10 A A E -A 59 0A 24 -2,-0.3 2,-0.3 49,-0.2 49,-0.2 -0.285 24.3-161.3 -79.3 168.3 2.2 8.3 8.2 11 11 A S E -A 58 0A 69 47,-0.8 47,-2.3 -2,-0.0 2,-0.6 -0.972 22.3-108.7-148.6 160.8 2.9 11.7 6.6 12 12 A L E -A 57 0A 103 -2,-0.3 2,-0.2 45,-0.2 45,-0.2 -0.838 32.2-151.4 -98.3 117.6 2.7 13.4 3.3 13 13 A V - 0 0 21 43,-1.5 43,-0.2 -2,-0.6 5,-0.1 -0.587 31.6 -87.3 -87.4 148.3 6.1 14.0 1.6 14 14 A A > - 0 0 59 -2,-0.2 4,-1.4 1,-0.1 3,-0.5 -0.052 29.1-127.9 -49.7 152.4 6.7 16.9 -0.8 15 15 A E T 4 S+ 0 0 168 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.794 110.9 50.7 -74.8 -29.5 5.8 16.4 -4.4 16 16 A A T 4 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.486 118.5 39.0 -85.7 -3.7 9.3 17.6 -5.6 17 17 A Q T >> S+ 0 0 124 -3,-0.5 4,-1.7 2,-0.1 3,-1.0 0.530 98.4 73.6-117.9 -17.0 10.9 15.1 -3.1 18 18 A R H 3X S+ 0 0 43 -4,-1.4 4,-1.5 1,-0.2 -2,-0.1 0.719 84.6 71.0 -70.7 -20.2 8.5 12.2 -3.5 19 19 A L H 34 S+ 0 0 118 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.766 115.6 23.2 -66.6 -25.6 10.2 11.5 -6.9 20 20 A D H <> S+ 0 0 93 -3,-1.0 4,-1.0 2,-0.1 -2,-0.2 0.531 111.1 74.5-113.5 -15.8 13.3 10.4 -5.0 21 21 A F H X S+ 0 0 37 -4,-1.7 4,-1.8 2,-0.2 5,-0.3 0.891 95.9 50.7 -64.7 -41.5 11.5 9.5 -1.7 22 22 A L H X>S+ 0 0 4 -4,-1.5 4,-2.7 1,-0.2 5,-0.9 0.960 114.7 40.6 -62.8 -54.3 10.1 6.3 -3.2 23 23 A P H 45S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 6,-0.2 0.632 115.0 56.7 -70.0 -12.8 13.4 5.0 -4.7 24 24 A T H <5S+ 0 0 85 -4,-1.0 -2,-0.2 3,-0.2 -3,-0.2 0.805 117.9 28.6 -86.9 -33.4 15.1 6.2 -1.4 25 25 A Y H <5S+ 0 0 93 -4,-1.8 -3,-0.2 -3,-0.3 -1,-0.1 0.718 139.7 23.6 -98.3 -27.1 12.9 4.2 0.9 26 26 A F T <5S- 0 0 27 -4,-2.7 -2,-0.1 -5,-0.3 -4,-0.1 0.788 122.3 -82.0-104.4 -44.3 12.1 1.3 -1.4 27 27 A G >< - 0 0 14 -5,-0.9 4,-2.5 2,-0.1 -3,-0.2 -0.404 25.0-103.0 142.9 140.3 15.0 1.4 -3.9 28 28 A P T 4 S+ 0 0 103 0, 0.0 -4,-0.1 0, 0.0 4,-0.1 0.692 126.3 37.9 -58.4 -18.2 16.1 3.3 -7.0 29 29 A R T >> S+ 0 0 139 -6,-0.2 4,-0.9 2,-0.1 3,-0.8 0.768 113.8 52.3-101.3 -35.4 15.1 0.2 -9.0 30 30 A L H 3>>S+ 0 0 44 1,-0.2 4,-3.3 2,-0.2 5,-0.6 0.777 80.8 92.9 -72.4 -28.7 11.9 -0.8 -7.0 31 31 A M H 3X5S+ 0 0 63 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.772 103.6 27.0 -34.3 -36.4 10.4 2.7 -7.4 32 32 A M H <>5S+ 0 0 86 -3,-0.8 4,-1.7 2,-0.2 -1,-0.3 0.784 117.6 58.8 -97.6 -36.8 8.7 1.3 -10.5 33 33 A R H <5S+ 0 0 108 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.721 118.5 33.5 -65.3 -21.5 8.6 -2.4 -9.5 34 34 A G H X5S+ 0 0 3 -4,-3.3 4,-2.1 2,-0.1 5,-0.2 0.818 111.6 56.9-102.4 -41.8 6.6 -1.4 -6.5 35 35 A E H X S+ 0 0 19 -5,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.848 104.8 49.4 -75.7 -35.4 2.6 -3.5 -8.0 38 38 A V H X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 3,-0.2 0.903 114.8 43.6 -70.9 -41.5 0.4 -1.6 -5.6 39 39 A Y H X S+ 0 0 76 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.766 104.6 66.6 -73.4 -26.2 -1.9 -0.3 -8.3 40 40 A A H < S+ 0 0 23 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 106.3 40.3 -61.4 -41.3 -1.9 -3.7 -9.9 41 41 A W H >X S+ 0 0 54 -4,-1.2 4,-1.5 55,-0.3 3,-0.8 0.824 110.8 60.0 -76.2 -32.6 -3.8 -5.1 -6.9 42 42 A M H >X S+ 0 0 2 -4,-1.3 4,-1.4 1,-0.3 3,-0.6 0.947 100.6 51.7 -60.6 -52.4 -6.0 -2.0 -6.7 43 43 A R H 3< S+ 0 0 138 -4,-2.3 6,-0.3 1,-0.2 -1,-0.3 0.600 110.3 54.0 -62.4 -9.2 -7.5 -2.4 -10.2 44 44 A R H <4 S+ 0 0 147 -3,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.786 100.1 56.6 -93.4 -34.1 -8.3 -6.0 -9.1 45 45 A L H << S+ 0 0 4 -4,-1.5 32,-2.1 -3,-0.6 2,-0.4 0.802 114.2 41.6 -67.7 -29.9 -10.2 -5.1 -6.0 46 46 A C >< - 0 0 6 -4,-1.4 3,-0.8 30,-0.2 -1,-0.1 -0.976 63.9-156.8-124.1 133.9 -12.6 -2.9 -8.0 47 47 A E T 3 S+ 0 0 155 -2,-0.4 -1,-0.1 1,-0.3 29,-0.1 0.760 100.3 45.7 -75.8 -25.7 -14.1 -3.7 -11.4 48 48 A R T 3 S+ 0 0 187 27,-0.3 2,-0.7 1,-0.0 -1,-0.3 -0.349 81.1 126.7-112.6 49.8 -14.7 -0.1 -12.1 49 49 A Y < + 0 0 22 -3,-0.8 -3,-0.1 -6,-0.3 3,-0.1 -0.840 23.3 166.5-112.8 94.4 -11.3 1.2 -10.9 50 50 A N - 0 0 163 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.980 52.8 -92.1 -68.8 -58.8 -9.6 3.3 -13.6 51 51 A G - 0 0 33 -9,-0.1 2,-0.3 18,-0.1 -1,-0.3 -0.980 37.6-159.7 167.1-173.0 -6.8 4.8 -11.4 52 52 A A - 0 0 27 -2,-0.3 2,-1.0 -3,-0.1 18,-0.1 -0.973 41.7 -67.8-177.6 179.9 -5.7 7.6 -9.2 53 53 A Y - 0 0 180 16,-0.3 2,-2.1 -2,-0.3 14,-0.1 -0.777 38.4-154.5 -94.0 100.0 -2.7 9.5 -7.7 54 54 A W - 0 0 55 -2,-1.0 -1,-0.1 14,-0.2 -15,-0.0 -0.504 20.4-149.6 -75.0 79.3 -1.1 7.1 -5.1 55 55 A H E - B 0 67A 47 -2,-2.1 12,-1.8 12,-1.8 2,-0.5 -0.116 15.4-113.9 -49.6 145.0 0.4 9.8 -2.9 56 56 A Y E - B 0 66A 29 -43,-0.2 -43,-1.5 10,-0.2 2,-0.4 -0.733 33.0-165.4 -89.1 128.8 3.6 8.9 -1.2 57 57 A Y E -AB 12 65A 49 8,-2.2 8,-1.0 -2,-0.5 2,-0.5 -0.915 11.7-140.0-118.0 141.9 3.4 8.6 2.6 58 58 A A E -AB 11 64A 20 -47,-2.3 -47,-0.8 -2,-0.4 2,-0.4 -0.850 15.6-156.6-102.0 131.7 6.3 8.5 5.1 59 59 A L E > -A 10 0A 10 4,-1.7 3,-0.9 -2,-0.5 -49,-0.2 -0.864 18.0-147.3-110.6 141.8 6.0 6.2 8.1 60 60 A S T 3 S+ 0 0 97 -51,-0.7 -1,-0.1 -2,-0.4 -50,-0.1 0.612 93.4 77.1 -78.2 -12.7 7.9 6.6 11.4 61 61 A D T 3 S- 0 0 24 1,-0.1 -1,-0.2 62,-0.1 3,-0.1 0.726 123.0 -94.6 -69.2 -21.4 8.0 2.8 11.7 62 62 A G S < S+ 0 0 41 -3,-0.9 -2,-0.1 1,-0.3 2,-0.1 0.424 99.0 65.4 120.1 4.2 10.8 2.7 9.2 63 63 A G - 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0 0 45 -2,-0.2 4,-2.2 -15,-0.2 5,-0.4 -0.477 37.8-106.0 -86.0 160.2 -11.8 5.7 1.1 89 89 A A H > S+ 0 0 6 -19,-1.3 4,-1.1 -17,-0.2 -18,-0.1 0.783 123.9 45.4 -55.4 -26.6 -8.8 6.2 -1.2 90 90 A D H > S+ 0 0 43 -20,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.955 113.6 43.7 -80.6 -57.8 -6.8 6.2 2.0 91 91 A A H 4 S+ 0 0 1 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.682 121.6 44.4 -62.5 -17.5 -8.3 3.3 3.8 92 92 A A H >X S+ 0 0 3 -4,-2.2 4,-1.5 2,-0.2 3,-0.5 0.775 101.4 63.9 -95.5 -34.1 -8.1 1.4 0.5 93 93 A G H 3X S+ 0 0 0 -4,-1.1 4,-2.0 -5,-0.4 -27,-0.3 0.731 95.3 64.6 -61.5 -20.6 -4.7 2.5 -0.5 94 94 A I H 3X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.924 104.3 42.4 -67.2 -45.8 -3.5 0.6 2.6 95 95 A V H <> S+ 0 0 5 -3,-0.5 4,-1.6 -4,-0.4 -2,-0.2 0.767 112.4 56.5 -71.9 -27.1 -4.6 -2.8 1.2 96 96 A A H X S+ 0 0 3 -4,-1.5 4,-0.9 2,-0.2 -55,-0.3 0.936 113.5 36.3 -71.5 -48.1 -3.3 -1.9 -2.3 97 97 A T H X S+ 0 0 5 -4,-2.0 4,-1.7 -31,-0.4 -2,-0.2 0.882 114.7 56.9 -72.9 -39.7 0.3 -1.2 -1.2 98 98 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 3,-0.4 0.943 104.8 50.5 -56.6 -52.0 0.3 -4.0 1.4 99 99 A F H X S+ 0 0 39 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.819 107.3 56.7 -57.2 -32.0 -0.6 -6.7 -1.1 100 100 A A H >X S+ 0 0 2 -4,-0.9 4,-2.1 1,-0.2 3,-0.8 0.899 101.9 54.6 -67.1 -41.7 2.3 -5.4 -3.3 101 101 A L H 3X S+ 0 0 5 -4,-1.7 4,-1.6 -3,-0.4 -2,-0.2 0.901 106.3 51.6 -59.0 -43.1 4.9 -5.9 -0.6 102 102 A G H 3X S+ 0 0 35 -4,-1.6 4,-0.7 1,-0.2 -1,-0.3 0.682 109.8 51.5 -69.4 -17.4 3.9 -9.5 -0.1 103 103 A Q H < S+ 0 0 78 -4,-0.7 3,-0.6 -3,-0.2 -1,-0.2 0.539 110.8 65.4 -94.3 -9.5 7.8 -13.9 -3.0 107 107 A E H 3< S+ 0 0 113 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.804 96.9 53.9 -81.8 -31.2 8.6 -12.7 -6.5 108 108 A I T 3< S- 0 0 63 -4,-1.6 -1,-0.2 1,-0.3 5,-0.1 0.175 109.6-130.0 -88.3 18.2 12.3 -12.6 -6.0 109 109 A A < - 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