==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-NOV-10 3PKD . COMPND 2 MOLECULE: METHIONINE AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.Z.YE,J.P.LU . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 63.5 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 . 56 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 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 . 5 4 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 4 A R 0 0 130 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-165.4 0.8 9.4 16.8 2 5 A T - 0 0 114 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.435 360.0 -75.8 -78.3 162.6 0.8 9.3 12.9 3 6 A A - 0 0 56 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.330 60.6-105.8 -52.7 139.8 3.4 7.4 10.8 4 7 A L - 0 0 19 101,-0.1 -1,-0.1 -3,-0.1 255,-0.0 -0.345 35.1-171.5 -69.2 153.0 6.7 9.3 10.8 5 8 A S - 0 0 87 -2,-0.1 2,-0.0 243,-0.0 243,-0.0 -0.952 37.1 -82.9-135.2 159.7 8.0 11.2 7.8 6 9 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 109,-0.0 -0.338 41.5-163.7 -65.5 144.6 11.4 12.8 7.3 7 10 A G - 0 0 28 1,-0.1 2,-0.4 110,-0.0 0, 0.0 -0.006 35.8 -68.2-100.9-154.4 12.1 16.2 8.8 8 11 A V - 0 0 108 -2,-0.1 108,-1.1 0, 0.0 2,-0.3 -0.892 42.3-131.0-108.7 137.3 14.9 18.7 7.9 9 12 A L - 0 0 74 -2,-0.4 106,-0.2 106,-0.2 3,-0.1 -0.595 15.6-131.0 -86.9 141.6 18.6 18.1 8.8 10 13 A S - 0 0 30 104,-0.3 3,-0.1 -2,-0.3 -1,-0.0 -0.464 44.2 -77.9 -74.8 166.5 20.7 20.7 10.5 11 14 A P - 0 0 110 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.152 63.3 -74.0 -62.3 159.3 24.2 21.5 9.0 12 15 A T - 0 0 109 1,-0.1 87,-0.1 -3,-0.1 80,-0.0 -0.250 49.2-128.6 -51.5 128.9 27.2 19.2 9.5 13 16 A R - 0 0 53 -3,-0.1 -1,-0.1 1,-0.0 2,-0.1 -0.721 25.1-123.5 -84.1 129.5 28.5 19.5 13.1 14 17 A P - 0 0 111 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.418 14.9-150.3 -73.7 151.7 32.2 20.2 13.1 15 18 A V - 0 0 8 -2,-0.1 73,-0.1 4,-0.1 65,-0.0 -0.987 35.2 -99.2-115.1 130.6 34.7 18.0 15.0 16 19 A P > - 0 0 53 0, 0.0 3,-1.8 0, 0.0 0, 0.0 -0.227 34.5-125.0 -49.5 135.7 37.9 19.6 16.4 17 20 A N T 3 S+ 0 0 151 1,-0.3 4,-0.2 3,-0.0 -2,-0.0 0.750 103.6 66.4 -62.0 -27.3 40.6 18.9 13.9 18 21 A W T 3 S+ 0 0 192 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 0.682 80.3 92.5 -70.6 -13.0 43.0 17.3 16.4 19 22 A I S < S- 0 0 4 -3,-1.8 68,-0.1 68,-0.1 2,-0.1 -0.672 88.1-115.7 -83.6 120.3 40.6 14.3 16.9 20 23 A A - 0 0 66 -2,-0.6 68,-0.2 66,-0.2 115,-0.1 -0.297 23.3-138.0 -63.3 136.2 41.6 11.7 14.5 21 24 A R - 0 0 88 -4,-0.2 -1,-0.1 -2,-0.1 69,-0.0 -0.617 23.9-108.8 -85.9 140.5 39.1 10.7 11.8 22 25 A P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.392 36.0-110.1 -55.1 152.7 38.5 7.1 10.8 23 26 A E T 3 S+ 0 0 71 1,-0.3 4,-0.1 8,-0.1 -2,-0.1 0.766 113.1 65.3 -60.0 -24.4 40.0 6.3 7.4 24 27 A Y T > + 0 0 6 2,-0.1 3,-2.1 7,-0.1 71,-0.4 0.555 68.6 119.8 -80.5 -8.5 36.6 6.0 5.8 25 28 A V T < S+ 0 0 49 -3,-1.8 69,-0.1 1,-0.3 68,-0.1 -0.439 88.2 6.9 -63.4 124.0 35.5 9.6 6.3 26 29 A G T 3 S+ 0 0 79 67,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.228 109.3 108.5 90.2 -7.0 34.8 11.1 2.9 27 30 A K S < S- 0 0 98 -3,-2.1 68,-0.4 66,-0.3 -1,-0.3 -0.564 77.7-118.3-102.3 163.2 35.2 7.8 1.1 28 31 A P S S- 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.800 92.5 -0.0 -68.8 -26.6 32.6 5.6 -0.6 29 32 A A S S- 0 0 50 66,-0.0 2,-0.3 -4,-0.0 -2,-0.1 -0.888 78.6-100.6-153.5 169.4 33.2 2.6 1.7 30 33 A A - 0 0 19 -2,-0.3 2,-1.4 2,-0.1 177,-0.0 -0.821 27.2-116.2-101.8 154.2 35.4 1.6 4.6 31 34 A Q S S+ 0 0 153 -2,-0.3 2,-0.3 2,-0.0 -8,-0.1 -0.709 76.7 113.8 -85.1 90.7 38.5 -0.6 4.7 32 35 A E + 0 0 45 -2,-1.4 178,-0.2 175,-0.1 179,-0.1 -0.972 23.0 76.7-157.9 152.9 36.9 -3.3 6.8 33 36 A G S S+ 0 0 33 177,-0.4 177,-0.1 -2,-0.3 -2,-0.0 0.229 89.0 60.0 125.9 -10.4 35.9 -6.8 6.5 34 37 A S + 0 0 117 2,-0.1 177,-0.1 177,-0.0 176,-0.1 0.026 69.7 123.9-130.8 19.3 39.1 -8.8 6.8 35 38 A E S S- 0 0 37 175,-1.2 177,-0.1 1,-0.1 -3,-0.0 -0.435 71.9 -85.7 -84.7 159.8 40.5 -7.8 10.2 36 39 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.352 27.4-146.2 -62.3 145.4 41.3 -10.4 12.9 37 40 A W S S+ 0 0 91 193,-0.1 194,-1.3 -3,-0.1 2,-0.5 0.805 86.3 65.1 -83.5 -28.6 38.4 -11.4 15.1 38 41 A V B S-A 230 0A 54 192,-0.2 192,-0.3 167,-0.0 2,-0.2 -0.825 83.4-144.0 -93.3 127.5 40.5 -11.8 18.2 39 42 A Q - 0 0 19 190,-2.6 -2,-0.1 -2,-0.5 166,-0.0 -0.580 14.6-108.9 -90.9 157.6 42.1 -8.5 19.3 40 43 A T > - 0 0 70 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.321 33.9-109.1 -72.1 163.1 45.5 -7.9 20.8 41 44 A P H > S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.889 120.5 56.6 -63.4 -35.0 45.7 -6.9 24.5 42 45 A E H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.907 109.0 45.4 -62.9 -43.2 46.7 -3.3 23.4 43 46 A V H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 109.2 55.5 -70.2 -37.8 43.6 -3.0 21.3 44 47 A I H X S+ 0 0 23 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.941 107.0 50.6 -59.8 -42.5 41.4 -4.4 24.1 45 48 A E H X S+ 0 0 126 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.915 112.2 47.2 -56.7 -44.4 42.7 -1.7 26.4 46 49 A K H X S+ 0 0 84 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.862 107.9 56.4 -67.5 -35.6 41.9 1.0 23.8 47 50 A M H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.819 98.0 60.2 -70.1 -24.9 38.4 -0.5 23.3 48 51 A R H X S+ 0 0 81 -4,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.895 108.4 46.7 -64.6 -39.9 37.6 -0.2 27.0 49 52 A V H X S+ 0 0 62 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.946 114.2 45.5 -63.3 -51.9 38.1 3.6 26.5 50 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 83,-0.2 88,-0.3 0.888 113.3 50.8 -59.4 -40.7 36.1 3.9 23.4 51 54 A G H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.901 109.4 49.7 -65.9 -39.8 33.3 1.8 24.9 52 55 A R H X S+ 0 0 113 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.876 112.2 48.0 -61.2 -42.5 33.1 3.9 28.0 53 56 A I H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.898 111.6 48.7 -67.9 -45.3 32.9 7.1 26.0 54 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.923 111.3 51.4 -60.4 -43.9 30.2 5.8 23.6 55 58 A A H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 110.0 49.8 -60.1 -38.9 28.3 4.6 26.7 56 59 A G H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 111.0 48.7 -64.8 -41.5 28.6 8.1 28.3 57 60 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 110.8 49.7 -68.7 -41.4 27.4 9.8 25.2 58 61 A L H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.933 112.8 47.8 -59.0 -42.8 24.4 7.5 24.8 59 62 A A H X S+ 0 0 48 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.874 110.6 51.1 -66.1 -37.8 23.4 8.1 28.5 60 63 A E H X S+ 0 0 77 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.938 113.8 43.8 -67.2 -43.4 23.8 11.8 28.1 61 64 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.914 109.3 57.8 -61.2 -42.1 21.6 11.8 25.0 62 65 A G H >< S+ 0 0 9 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.837 97.4 61.2 -56.4 -37.4 19.1 9.5 26.7 63 66 A K H 3< S+ 0 0 161 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.723 100.7 56.0 -59.5 -28.8 18.6 11.9 29.5 64 67 A A T << S+ 0 0 28 -3,-1.3 2,-0.5 -4,-0.7 -1,-0.3 0.500 75.6 115.9 -86.3 -1.2 17.3 14.5 27.0 65 68 A V < + 0 0 18 -3,-1.6 82,-0.2 -4,-0.4 -3,-0.0 -0.494 39.7 125.8 -72.3 122.0 14.6 12.2 25.6 66 69 A A S > S- 0 0 42 -2,-0.5 3,-2.0 80,-0.1 53,-0.2 -0.956 70.0 -76.9-167.2 150.4 11.3 13.9 26.5 67 70 A P T 3 S+ 0 0 63 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.338 118.6 33.6 -53.7 135.6 8.2 15.0 24.6 68 71 A G T 3 S+ 0 0 57 51,-3.1 2,-0.2 1,-0.4 52,-0.1 0.232 89.8 114.1 102.6 -17.6 9.1 18.2 22.8 69 72 A V < - 0 0 23 -3,-2.0 50,-3.0 -5,-0.1 -1,-0.4 -0.566 60.8-129.0 -81.0 151.2 12.7 17.5 22.0 70 73 A T B > -B 118 0B 40 48,-0.2 4,-1.4 -2,-0.2 3,-0.3 -0.687 15.2-125.2 -92.7 159.4 14.0 17.0 18.5 71 74 A T H > S+ 0 0 3 46,-2.0 4,-2.1 44,-0.4 45,-0.2 0.854 112.9 63.6 -70.7 -27.6 16.0 14.1 17.3 72 75 A D H > S+ 0 0 24 43,-2.4 4,-2.3 45,-0.3 -1,-0.2 0.886 99.2 53.1 -59.6 -39.4 18.5 16.6 16.1 73 76 A E H > S+ 0 0 61 -3,-0.3 4,-2.4 42,-0.3 -1,-0.2 0.855 103.4 55.0 -63.0 -38.5 19.0 17.8 19.7 74 77 A L H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.932 109.9 49.4 -60.4 -42.2 19.8 14.2 20.9 75 78 A D H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.911 107.7 51.9 -61.2 -42.9 22.5 14.2 18.1 76 79 A R H X S+ 0 0 69 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.924 112.3 47.8 -57.0 -47.4 23.9 17.6 19.3 77 80 A I H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.939 114.5 44.4 -64.8 -44.0 24.2 16.2 22.9 78 81 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.945 114.5 50.3 -63.2 -43.9 25.8 13.0 21.8 79 82 A H H X S+ 0 0 5 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.921 110.6 48.2 -57.8 -48.7 28.2 14.8 19.4 80 83 A E H X S+ 0 0 79 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.905 110.8 51.5 -66.0 -34.0 29.3 17.3 22.1 81 84 A Y H X S+ 0 0 48 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.929 111.4 47.8 -64.1 -50.3 29.9 14.5 24.6 82 85 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 3,-0.9 0.959 115.6 42.4 -56.0 -51.0 32.0 12.6 22.1 83 86 A V H ><5S+ 0 0 17 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.901 108.9 58.1 -73.2 -29.1 34.2 15.5 21.1 84 87 A D H 3<5S+ 0 0 128 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.739 109.9 47.4 -68.2 -17.8 34.5 16.8 24.7 85 88 A N T <<5S- 0 0 71 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.181 123.7-104.5-108.0 17.9 36.0 13.4 25.5 86 89 A G T < 5S+ 0 0 15 -3,-1.9 2,-0.3 1,-0.2 -66,-0.2 0.704 77.3 128.8 75.3 21.2 38.4 13.4 22.5 87 90 A A < - 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