==== 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 HYDROLASE 24-FEB-06 2G6G . COMPND 2 MOLECULE: GNA33; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE FA 1090; . AUTHOR A.J.POWELL,Z.J.LIU,R.A.NICHOLAS,C.DAVIES . 405 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 36 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 1 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 . 2 1 1 7 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 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 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 32 A P 0 0 119 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.1 17.5 34.9 52.7 2 33 A D + 0 0 55 52,-0.1 49,-0.1 53,-0.0 52,-0.1 0.531 360.0 151.2 -81.5 164.4 19.3 37.5 52.7 3 34 A T + 0 0 104 -2,-0.1 75,-0.6 48,-0.0 48,-0.0 0.499 46.4 104.4-116.7 -24.6 21.7 37.3 55.7 4 35 A S - 0 0 58 73,-0.1 2,-0.3 1,-0.0 74,-0.1 0.194 51.9-152.1 -66.9 169.9 24.5 39.4 54.2 5 36 A V - 0 0 72 72,-0.1 2,-0.5 70,-0.1 70,-0.2 -0.967 8.5-144.9-143.9 131.1 25.9 42.9 54.6 6 37 A I - 0 0 95 68,-3.2 2,-0.1 -2,-0.3 0, 0.0 -0.809 25.5-135.4 -88.0 124.8 27.7 45.2 52.1 7 38 A N + 0 0 151 -2,-0.5 69,-0.1 69,-0.0 67,-0.0 -0.389 50.8 84.9 -77.4 161.4 30.4 47.4 53.8 8 39 A G S S- 0 0 50 67,-0.1 2,-0.1 -2,-0.1 3,-0.1 -0.672 75.1 -31.8 135.7 170.1 30.8 51.2 53.1 9 40 A P - 0 0 119 0, 0.0 66,-0.0 0, 0.0 -2,-0.0 -0.398 66.7-102.4 -61.5 129.1 29.7 54.7 53.9 10 41 A D - 0 0 93 -2,-0.1 3,-0.1 1,-0.1 62,-0.0 -0.183 41.1-112.8 -38.2 130.7 26.0 55.3 55.0 11 42 A R - 0 0 96 57,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.409 43.4 -82.9 -68.2 150.4 24.0 56.7 52.1 12 43 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 56,-0.0 -0.304 37.2-154.2 -51.0 135.9 22.6 60.3 52.5 13 44 A A - 0 0 38 1,-0.1 385,-0.4 -3,-0.1 -2,-0.1 0.738 26.6-152.8 -91.6 -25.2 19.4 60.1 54.6 14 45 A G - 0 0 49 383,-0.1 385,-0.2 1,-0.1 -1,-0.1 -0.135 29.4 -54.5 72.6-173.1 17.8 63.3 53.2 15 46 A I - 0 0 144 383,-0.4 2,-0.1 3,-0.0 -1,-0.1 -0.896 46.7-140.9-116.0 110.0 15.4 65.6 54.8 16 47 A P - 0 0 69 0, 0.0 382,-0.1 0, 0.0 3,-0.1 -0.405 24.3-115.3 -62.9 135.0 12.0 64.3 56.2 17 48 A D - 0 0 39 383,-0.1 3,-0.1 -2,-0.1 382,-0.0 -0.477 47.2-104.1 -61.8 142.5 8.9 66.4 55.8 18 49 A P > - 0 0 95 0, 0.0 3,-1.8 0, 0.0 14,-0.3 -0.349 44.4 -75.9 -75.9 162.9 7.9 67.4 59.3 19 50 A A T 3 S+ 0 0 71 1,-0.2 14,-0.2 12,-0.1 3,-0.1 -0.201 118.4 31.3 -53.4 136.6 5.0 65.9 61.2 20 51 A G T 3 S+ 0 0 45 12,-2.5 -1,-0.2 1,-0.4 2,-0.1 0.301 78.9 143.6 94.6 -10.4 1.6 67.1 60.0 21 52 A T < - 0 0 31 -3,-1.8 11,-2.3 10,-0.0 2,-0.4 -0.458 36.1-156.8 -61.4 136.8 2.7 67.6 56.4 22 53 A T E -A 31 0A 80 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.946 24.5-176.4-130.6 135.6 -0.2 66.7 54.2 23 54 A V E -A 30 0A 28 7,-2.1 7,-3.6 -2,-0.4 2,-0.4 -0.977 15.2-169.4-121.6 138.4 -0.8 65.5 50.7 24 55 A A E +A 29 0A 76 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.983 18.1 139.1-125.7 145.2 -4.3 65.0 49.4 25 56 A G E > +A 28 0A 19 3,-2.4 3,-1.8 -2,-0.4 380,-0.1 -0.783 61.4 12.5-178.3 143.7 -5.6 63.4 46.1 26 57 A G T 3 S- 0 0 33 1,-0.3 340,-0.1 -2,-0.2 73,-0.1 0.759 131.0 -52.7 62.8 29.2 -8.3 61.1 44.8 27 58 A G T 3 S+ 0 0 48 1,-0.3 72,-1.4 71,-0.1 73,-0.7 0.388 116.7 116.7 83.9 -1.0 -10.3 61.4 48.1 28 59 A A E < -AB 25 98A 1 -3,-1.8 -3,-2.4 70,-0.2 2,-0.4 -0.720 47.9-160.8-104.0 150.6 -7.2 60.4 50.1 29 60 A V E -AB 24 97A 57 68,-2.0 68,-2.0 -2,-0.3 2,-0.5 -0.998 4.0-163.2-129.6 128.7 -5.2 62.3 52.6 30 61 A Y E -AB 23 96A 0 -7,-3.6 -7,-2.1 -2,-0.4 2,-0.4 -0.943 10.1-174.8-112.1 131.4 -1.6 61.4 53.6 31 62 A T E -AB 22 95A 32 64,-1.9 64,-2.7 -2,-0.5 -9,-0.2 -0.968 25.2-124.7-135.0 121.3 -0.2 62.9 56.8 32 63 A V E + B 0 94A 8 -11,-2.3 -12,-2.5 -2,-0.4 62,-0.2 -0.362 37.0 176.5 -58.8 131.4 3.3 62.6 58.2 33 64 A V - 0 0 21 60,-1.7 5,-0.0 -14,-0.2 2,-0.0 -0.888 38.1 -87.1-127.7 162.7 3.3 61.2 61.7 34 65 A P > - 0 0 78 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.395 36.9-119.7 -64.1 151.2 6.1 60.2 64.1 35 66 A H G > S+ 0 0 29 1,-0.2 3,-1.0 2,-0.2 6,-0.2 0.833 114.1 58.9 -58.5 -29.7 7.4 56.7 63.7 36 67 A L G 3 S+ 0 0 130 1,-0.2 -1,-0.2 5,-0.1 4,-0.2 0.608 87.1 71.1 -81.0 -13.5 6.3 56.1 67.2 37 68 A S G < S+ 0 0 65 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.561 78.7 96.2 -78.3 -9.8 2.6 56.9 66.7 38 69 A X S X S- 0 0 2 -3,-1.0 3,-2.0 -4,-0.3 313,-0.0 -0.694 95.9 -93.5 -80.5 133.7 2.3 53.7 64.7 39 70 A P T 3 S- 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.225 98.3 -16.1 -57.9 120.1 0.9 50.8 66.9 40 71 A H T >> S+ 0 0 123 -4,-0.2 3,-1.9 3,-0.1 4,-0.6 0.621 82.1 158.7 62.8 19.9 3.8 48.7 68.5 41 72 A W G X4 + 0 0 3 -3,-2.0 3,-1.8 1,-0.3 312,-0.1 0.849 69.8 49.2 -33.2 -65.0 6.3 50.1 66.1 42 73 A A G 34 S+ 0 0 60 1,-0.3 -1,-0.3 -6,-0.1 4,-0.1 0.656 104.8 57.9 -54.0 -29.5 9.3 49.3 68.3 43 74 A A G <4 S+ 0 0 81 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.528 83.5 116.2 -81.7 -9.1 8.2 45.7 69.0 44 75 A Q S << S- 0 0 36 -3,-1.8 2,-2.0 -4,-0.6 3,-0.2 -0.124 77.2-110.0 -73.9 157.1 8.2 44.5 65.3 45 76 A D > + 0 0 62 1,-0.2 4,-1.6 2,-0.1 3,-0.4 -0.554 46.7 166.5 -81.3 76.6 10.3 42.0 63.5 46 77 A F H > + 0 0 2 -2,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.756 66.5 67.2 -67.0 -28.4 12.1 44.6 61.5 47 78 A A H > S+ 0 0 13 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.920 103.9 43.9 -57.8 -48.9 14.7 42.1 60.4 48 79 A K H > S+ 0 0 93 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.924 111.3 53.9 -61.6 -42.2 12.1 40.2 58.3 49 80 A S H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.865 108.7 50.5 -59.2 -37.8 10.7 43.5 56.9 50 81 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.861 107.8 50.9 -68.5 -41.1 14.2 44.4 55.8 51 82 A Q H X S+ 0 0 29 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.913 111.5 50.6 -60.2 -41.2 14.7 41.1 54.0 52 83 A S H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.5 0.954 109.8 48.5 -60.7 -48.9 11.4 41.8 52.4 53 84 A F H X S+ 0 0 1 -4,-2.7 4,-0.9 1,-0.2 3,-0.4 0.878 106.6 58.1 -56.2 -41.0 12.5 45.3 51.3 54 85 A R H < S+ 0 0 7 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.840 100.5 56.7 -60.6 -38.7 15.8 43.8 49.9 55 86 A L H >< S+ 0 0 48 -4,-1.4 3,-0.7 -3,-0.5 4,-0.3 0.832 107.1 48.6 -60.2 -37.7 13.9 41.5 47.5 56 87 A G H >X S+ 0 0 1 -4,-1.1 4,-3.1 -3,-0.4 3,-1.2 0.726 94.0 76.9 -74.1 -21.8 12.1 44.4 45.9 57 88 A a H 3X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.2 0.678 73.5 77.4 -70.1 -16.8 15.3 46.4 45.4 58 89 A A H <4 S+ 0 0 58 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.889 120.1 13.6 -58.9 -38.4 16.4 44.3 42.4 59 90 A N H X4 S+ 0 0 67 -3,-1.2 3,-1.5 -4,-0.3 -2,-0.2 0.768 124.5 61.3-100.1 -37.0 13.8 46.3 40.4 60 91 A L H >< S+ 0 0 1 -4,-3.1 3,-1.9 1,-0.3 6,-0.2 0.812 89.6 74.6 -61.8 -33.1 13.1 49.1 42.9 61 92 A K T 3< S+ 0 0 98 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 0.775 92.9 54.5 -35.8 -42.2 16.8 50.2 42.7 62 93 A N T < S+ 0 0 118 -3,-1.5 2,-0.4 -5,-0.1 -1,-0.3 0.254 84.7 99.1 -93.4 5.9 16.2 51.6 39.3 63 94 A R S X S- 0 0 67 -3,-1.9 3,-2.2 -4,-0.1 4,-0.4 -0.829 84.9-101.2-102.0 135.3 13.3 53.9 40.1 64 95 A Q T 3 S+ 0 0 160 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.1 -0.280 107.0 20.0 -58.5 131.0 14.1 57.6 40.7 65 96 A G T 3 S+ 0 0 35 -4,-0.1 4,-0.3 335,-0.0 -1,-0.3 0.024 110.9 77.0 103.6 -23.9 14.2 58.5 44.3 66 97 A W <> + 0 0 4 -3,-2.2 4,-2.0 -6,-0.2 5,-0.2 0.462 63.1 92.7-101.8 -2.5 14.8 54.9 45.5 67 98 A Q H > S+ 0 0 72 -4,-0.4 4,-2.0 1,-0.2 5,-0.2 0.896 87.4 44.9 -64.3 -46.9 18.5 54.4 44.7 68 99 A D H > S+ 0 0 65 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.914 115.0 45.8 -66.5 -46.2 20.0 55.5 48.1 69 100 A V H > S+ 0 0 6 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.864 112.7 51.7 -67.7 -36.8 17.5 53.5 50.3 70 101 A a H X S+ 0 0 2 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.899 113.6 43.5 -66.0 -37.9 17.9 50.4 48.2 71 102 A A H >< S+ 0 0 26 -4,-2.0 3,-0.6 -5,-0.2 4,-0.5 0.933 114.2 51.5 -69.9 -43.3 21.7 50.6 48.4 72 103 A Q H >< S+ 0 0 6 -4,-3.1 3,-1.3 1,-0.2 4,-0.3 0.844 99.5 64.2 -59.9 -36.4 21.4 51.4 52.1 73 104 A A H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.874 103.5 48.3 -53.6 -40.2 19.1 48.3 52.6 74 105 A F T << S+ 0 0 49 -4,-0.9 -68,-3.2 -3,-0.6 -1,-0.3 0.576 107.6 54.5 -83.0 -5.6 22.1 46.1 51.6 75 106 A Q T < S+ 0 0 36 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.313 91.8 91.8-101.9 6.2 24.5 47.9 54.0 76 107 A T S < S- 0 0 7 -3,-0.9 -70,-0.1 -4,-0.3 7,-0.1 -0.897 81.0-117.8-105.5 126.3 22.2 47.3 57.0 77 108 A P - 0 0 43 0, 0.0 2,-2.3 0, 0.0 6,-0.1 -0.254 27.3-111.5 -59.0 146.3 22.6 44.1 59.2 78 109 A I S S+ 0 0 23 -75,-0.6 2,-0.3 -74,-0.1 -31,-0.1 -0.494 81.6 112.8 -81.0 69.2 19.7 41.6 59.3 79 110 A H S > S- 0 0 122 -2,-2.3 4,-2.5 1,-0.1 5,-0.2 -0.984 74.8-120.8-142.3 149.2 19.0 42.4 62.9 80 111 A S H > S+ 0 0 44 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.868 108.0 51.2 -70.4 -35.9 16.0 44.1 64.3 81 112 A F H > S+ 0 0 136 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.964 115.8 41.4 -61.5 -51.0 17.7 47.1 65.9 82 113 A Q H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 117.5 48.5 -63.8 -41.1 19.7 48.0 62.8 83 114 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.884 110.1 51.5 -63.7 -45.0 16.6 47.3 60.6 84 115 A K H X S+ 0 0 33 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.938 111.2 48.2 -55.6 -49.5 14.4 49.4 62.8 85 116 A R H X S+ 0 0 93 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.859 108.2 55.3 -61.3 -38.7 17.0 52.3 62.6 86 117 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.945 111.6 42.8 -55.9 -52.6 17.1 51.9 58.8 87 118 A F H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.884 118.4 46.3 -63.3 -37.3 13.3 52.3 58.5 88 119 A E H < S+ 0 0 28 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.852 120.4 36.7 -72.3 -38.3 13.3 55.2 61.1 89 120 A R H < S+ 0 0 109 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.762 123.0 38.8 -86.5 -30.1 16.2 57.2 59.6 90 121 A Y H < S+ 0 0 3 -4,-2.1 308,-1.5 -5,-0.3 2,-0.3 0.542 112.8 50.2-101.7 -9.4 15.7 56.6 55.9 91 122 A F E < - 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