==== 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 3PKE . COMPND 2 MOLECULE: METHIONINE AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.Z.YE,J.P.LU . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 63.7 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 . 57 20.1 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 . 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 20.8 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 1 0 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 1 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 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 2 A P 0 0 180 0, 0.0 2,-0.2 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 148.2 -4.6 -25.7 -11.8 2 3 A S - 0 0 45 1,-0.2 122,-0.1 122,-0.1 121,-0.1 -0.549 360.0 -79.3-100.4 170.2 -8.3 -26.7 -11.7 3 4 A R - 0 0 72 120,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.194 46.3-121.1 -57.3 154.4 -10.7 -28.3 -14.3 4 5 A T - 0 0 123 1,-0.2 -1,-0.1 0, 0.0 257,-0.0 -0.293 55.7 -42.6 -91.8-173.1 -12.3 -26.0 -16.9 5 6 A A - 0 0 55 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.094 63.8-121.6 -56.3 135.9 -16.1 -25.5 -17.5 6 7 A L - 0 0 21 101,-0.1 -1,-0.1 -3,-0.1 255,-0.0 -0.349 20.6-161.8 -72.0 157.2 -18.4 -28.6 -17.3 7 8 A S - 0 0 90 -2,-0.1 2,-0.1 0, 0.0 112,-0.0 -0.938 34.0 -90.9-130.5 154.1 -20.8 -29.9 -20.0 8 9 A P - 0 0 84 0, 0.0 2,-0.1 0, 0.0 109,-0.0 -0.381 40.1-160.8 -71.1 146.3 -23.7 -32.3 -19.6 9 10 A G - 0 0 34 1,-0.1 2,-0.3 -2,-0.1 0, 0.0 -0.187 30.3 -76.4-100.9-158.5 -23.1 -36.1 -19.9 10 11 A V - 0 0 106 -2,-0.1 108,-1.1 1,-0.0 2,-0.3 -0.782 42.0-122.9-108.6 151.5 -25.5 -39.0 -20.5 11 12 A L - 0 0 79 -2,-0.3 106,-0.1 106,-0.2 3,-0.1 -0.675 17.0-126.6 -94.2 145.5 -27.8 -40.5 -17.9 12 13 A S - 0 0 26 -2,-0.3 3,-0.1 104,-0.2 -1,-0.1 -0.303 48.9 -71.6 -75.5 168.5 -28.0 -44.1 -16.8 13 14 A P - 0 0 114 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.264 65.8 -83.1 -58.6 156.7 -31.3 -46.0 -16.9 14 15 A T - 0 0 108 -3,-0.1 87,-0.1 1,-0.1 80,-0.0 -0.297 48.5-123.0 -61.5 131.1 -33.9 -45.0 -14.3 15 16 A R - 0 0 33 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.674 27.3-123.7 -82.9 132.3 -33.1 -46.8 -11.0 16 17 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.349 15.6-155.0 -78.5 152.8 -35.9 -49.0 -9.7 17 18 A V - 0 0 13 -2,-0.1 73,-0.1 4,-0.0 4,-0.0 -0.997 30.7-107.2-126.5 127.9 -37.6 -48.8 -6.3 18 19 A P > - 0 0 54 0, 0.0 3,-1.8 0, 0.0 0, 0.0 -0.201 30.0-120.2 -53.2 144.2 -39.3 -51.9 -4.7 19 20 A N T 3 S+ 0 0 150 1,-0.3 4,-0.1 3,-0.0 -2,-0.0 0.743 106.5 67.5 -64.6 -24.5 -43.1 -51.5 -4.8 20 21 A W T 3 S+ 0 0 188 2,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.540 80.6 89.8 -71.6 -6.8 -43.5 -51.7 -1.0 21 22 A I S < S- 0 0 3 -3,-1.8 68,-0.1 68,-0.1 2,-0.1 -0.815 86.4-126.3 -92.9 110.8 -41.7 -48.4 -0.6 22 23 A A - 0 0 71 -2,-0.7 68,-0.2 66,-0.2 115,-0.1 -0.369 20.0-134.4 -62.9 136.5 -44.5 -45.8 -0.8 23 24 A R - 0 0 88 -4,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.629 21.2-108.8 -85.0 145.0 -44.0 -43.0 -3.4 24 25 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.452 41.3-107.0 -61.8 154.6 -44.5 -39.4 -2.6 25 26 A E T 3 S+ 0 0 67 1,-0.3 -2,-0.1 8,-0.1 7,-0.0 0.713 112.1 62.3 -64.4 -15.1 -47.6 -38.3 -4.4 26 27 A Y T > + 0 0 3 2,-0.1 3,-2.4 7,-0.1 71,-0.3 0.469 66.6 133.4 -92.4 -10.9 -45.9 -36.3 -7.1 27 28 A V T < S- 0 0 44 -3,-1.7 69,-0.1 1,-0.3 68,-0.1 -0.279 84.7 -2.5 -53.2 123.7 -43.8 -39.1 -8.7 28 29 A G T 3 S+ 0 0 71 67,-0.9 -1,-0.3 1,-0.2 68,-0.1 0.399 107.3 116.9 76.0 3.9 -44.2 -38.9 -12.6 29 30 A K S < S- 0 0 104 -3,-2.4 68,-0.3 66,-0.4 69,-0.2 -0.612 73.2-122.4-102.6 161.6 -46.6 -35.9 -12.5 30 31 A P S S+ 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.809 91.6 26.1 -78.5 -22.6 -45.9 -32.6 -13.8 31 32 A A S S- 0 0 59 -4,-0.1 2,-0.4 -5,-0.0 66,-0.2 -0.780 74.8-123.2-123.7 175.6 -46.4 -30.7 -10.5 32 33 A A - 0 0 18 -2,-0.2 2,-1.3 2,-0.1 177,-0.0 -0.935 19.9-123.8-122.4 146.9 -46.1 -31.5 -6.8 33 34 A Q S S+ 0 0 139 -2,-0.4 2,-0.3 2,-0.0 -8,-0.1 -0.705 73.7 99.8 -88.5 86.4 -48.9 -31.0 -4.2 34 35 A E + 0 0 43 -2,-1.3 178,-0.2 175,-0.1 -2,-0.1 -0.975 30.7 77.8-161.2 158.5 -47.0 -28.8 -1.8 35 36 A G S S+ 0 0 41 -2,-0.3 177,-0.1 177,-0.1 -2,-0.0 0.276 86.6 69.0 116.0 -4.8 -46.7 -25.1 -0.8 36 37 A S S S+ 0 0 112 2,-0.1 177,-0.2 177,-0.0 176,-0.1 0.011 70.1 117.6-134.6 34.7 -49.8 -24.6 1.3 37 38 A E S S- 0 0 35 175,-1.7 177,-0.1 1,-0.1 168,-0.1 -0.511 71.8 -90.9 -99.7 158.6 -49.0 -26.8 4.5 38 39 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 176,-0.1 -0.381 26.7-143.1 -64.8 153.8 -48.7 -25.6 8.1 39 40 A W S S+ 0 0 94 193,-0.1 194,-1.2 2,-0.1 2,-0.5 0.757 83.5 67.7 -91.6 -28.9 -45.2 -24.7 9.1 40 41 A V B S-A 232 0A 58 192,-0.2 192,-0.3 167,-0.0 2,-0.3 -0.831 79.7-148.3 -93.3 129.3 -45.3 -26.0 12.7 41 42 A Q - 0 0 20 190,-2.6 -2,-0.1 -2,-0.5 166,-0.0 -0.622 13.4-106.3 -98.4 159.1 -45.5 -29.8 12.7 42 43 A T > - 0 0 71 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.378 33.6-108.7 -71.9 158.7 -47.2 -32.2 15.0 43 44 A P H > S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.869 119.6 53.2 -58.3 -35.1 -45.1 -34.3 17.4 44 45 A E H > S+ 0 0 137 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.909 109.7 47.7 -70.9 -36.5 -45.9 -37.5 15.4 45 46 A V H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 110.4 53.6 -65.7 -46.6 -44.7 -35.9 12.2 46 47 A I H X S+ 0 0 16 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.892 107.0 50.2 -57.8 -41.8 -41.5 -34.6 14.0 47 48 A E H X S+ 0 0 107 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.908 111.4 48.2 -66.2 -40.3 -40.5 -38.1 15.2 48 49 A K H X S+ 0 0 92 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.862 106.9 57.5 -68.6 -31.3 -41.0 -39.6 11.7 49 50 A M H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.802 98.6 59.3 -70.3 -26.3 -38.9 -36.7 10.4 50 51 A R H X S+ 0 0 69 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.892 108.8 46.0 -64.0 -35.3 -36.0 -37.8 12.7 51 52 A V H X S+ 0 0 51 -4,-1.2 4,-2.0 -3,-0.2 -2,-0.2 0.936 114.4 45.8 -68.4 -50.7 -36.0 -41.2 10.9 52 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 88,-0.3 0.918 113.6 50.6 -58.7 -39.7 -36.2 -39.7 7.5 53 54 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.892 109.8 49.3 -65.7 -40.3 -33.4 -37.2 8.4 54 55 A R H X S+ 0 0 120 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.884 111.5 48.4 -71.1 -35.4 -31.1 -39.9 9.7 55 56 A I H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.935 113.1 48.2 -68.8 -40.0 -31.5 -42.1 6.6 56 57 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.907 110.6 51.4 -61.1 -45.1 -30.9 -39.1 4.3 57 58 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.884 109.9 50.7 -59.8 -38.9 -27.8 -38.2 6.4 58 59 A G H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 111.0 48.1 -63.6 -44.7 -26.6 -41.9 6.0 59 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.911 112.4 48.0 -62.5 -43.3 -27.1 -41.7 2.2 60 61 A L H X S+ 0 0 14 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.913 112.8 49.4 -64.0 -42.4 -25.2 -38.4 1.9 61 62 A A H X S+ 0 0 31 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.897 111.8 48.1 -63.8 -42.3 -22.3 -39.7 4.1 62 63 A E H X S+ 0 0 75 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.910 116.2 42.1 -65.4 -45.6 -22.0 -42.9 2.1 63 64 A A H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.898 112.5 55.2 -69.7 -36.5 -22.0 -41.1 -1.2 64 65 A G H >< S+ 0 0 9 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.888 101.4 58.1 -59.9 -33.3 -19.7 -38.4 0.2 65 66 A K H 3< S+ 0 0 148 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.735 103.7 55.5 -65.8 -27.3 -17.1 -41.1 1.2 66 67 A A T << S+ 0 0 25 -3,-0.9 2,-0.4 -4,-0.7 -1,-0.3 0.460 75.5 115.0 -81.9 -8.8 -17.0 -42.1 -2.5 67 68 A V < + 0 0 16 -3,-1.6 82,-0.2 -4,-0.3 5,-0.0 -0.578 41.4 123.3 -69.4 120.9 -16.1 -38.7 -3.7 68 69 A A S > S- 0 0 37 -2,-0.4 3,-2.0 80,-0.1 53,-0.2 -0.938 70.4 -70.5-168.2 156.4 -12.6 -39.0 -5.2 69 70 A P T 3 S+ 0 0 48 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.283 118.9 29.0 -55.6 140.7 -10.9 -38.4 -8.6 70 71 A G T 3 S+ 0 0 53 51,-3.0 2,-0.3 1,-0.3 52,-0.1 0.277 90.6 114.6 93.1 -14.3 -12.1 -41.0 -11.2 71 72 A V < - 0 0 28 -3,-2.0 50,-3.0 50,-0.2 -1,-0.3 -0.685 61.2-133.6 -89.9 137.4 -15.6 -41.5 -9.7 72 73 A T B > -B 120 0B 23 -2,-0.3 4,-1.4 48,-0.2 48,-0.2 -0.648 17.1-121.1 -87.8 162.2 -18.6 -40.4 -11.8 73 74 A T H > S+ 0 0 3 46,-1.9 4,-2.1 1,-0.2 5,-0.2 0.877 116.3 59.9 -69.8 -31.2 -21.5 -38.4 -10.4 74 75 A D H > S+ 0 0 25 43,-2.2 4,-2.3 45,-0.3 -1,-0.2 0.896 100.1 54.3 -57.4 -41.0 -23.7 -41.3 -11.6 75 76 A E H > S+ 0 0 92 42,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.845 106.7 52.2 -61.3 -38.4 -21.7 -43.7 -9.3 76 77 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.898 108.7 50.8 -59.3 -47.0 -22.6 -41.3 -6.4 77 78 A D H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.878 106.5 53.7 -58.4 -44.5 -26.2 -41.5 -7.3 78 79 A R H X S+ 0 0 143 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.939 110.4 47.2 -56.1 -43.9 -26.1 -45.3 -7.3 79 80 A I H X S+ 0 0 60 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.934 115.0 45.0 -66.0 -44.5 -24.7 -45.3 -3.8 80 81 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.921 114.9 49.7 -63.6 -45.5 -27.3 -42.8 -2.5 81 82 A H H X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.950 111.9 46.3 -57.4 -54.3 -30.1 -44.6 -4.3 82 83 A E H X S+ 0 0 63 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.904 112.1 51.6 -58.4 -39.7 -29.2 -48.0 -2.9 83 84 A Y H X S+ 0 0 74 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.917 112.6 44.8 -63.5 -42.8 -28.7 -46.7 0.6 84 85 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 3,-0.8 0.973 116.6 44.3 -66.4 -49.3 -32.2 -45.1 0.6 85 86 A V H ><5S+ 0 0 7 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.871 109.3 55.3 -69.7 -31.0 -34.0 -48.0 -0.9 86 87 A D H 3<5S+ 0 0 121 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.749 108.2 51.4 -72.6 -20.1 -32.3 -50.6 1.3 87 88 A N T <<5S- 0 0 69 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.143 122.7-108.2 -90.8 15.0 -33.5 -48.5 4.2 88 89 A G T < 5S+ 0 0 14 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.724 78.3 130.6 67.2 18.1 -37.2 -48.6 2.9 89 90 A A < - 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