==== 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 3PKC . COMPND 2 MOLECULE: METHIONINE AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.Z.YE,J.P.LU . 281 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 63.3 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 . 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.4 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+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 0 126 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-161.5 -1.0 8.9 -17.0 2 5 A T - 0 0 111 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.482 360.0 -84.6 -76.2 159.2 -1.0 9.3 -13.2 3 6 A A - 0 0 46 -2,-0.1 -1,-0.1 1,-0.1 103,-0.0 -0.333 56.2-104.9 -59.2 145.2 -3.6 7.4 -11.1 4 7 A L - 0 0 21 101,-0.1 -1,-0.1 -3,-0.1 255,-0.0 -0.288 36.1-174.3 -71.4 155.1 -6.9 9.2 -10.9 5 8 A S - 0 0 86 243,-0.0 243,-0.0 -2,-0.0 112,-0.0 -0.963 39.0 -81.4-141.5 154.7 -8.1 11.2 -7.9 6 9 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.305 41.5-162.2 -60.9 136.3 -11.5 12.8 -7.5 7 10 A G - 0 0 28 1,-0.1 2,-0.4 110,-0.0 0, 0.0 -0.005 35.8 -70.2 -90.6-154.9 -12.2 16.2 -9.0 8 11 A V - 0 0 108 -2,-0.1 108,-1.3 0, 0.0 2,-0.3 -0.909 42.4-129.2-107.3 135.0 -15.0 18.7 -8.1 9 12 A L - 0 0 76 -2,-0.4 106,-0.1 106,-0.2 3,-0.1 -0.611 15.5-132.0 -84.5 140.9 -18.6 18.1 -8.9 10 13 A S - 0 0 32 -2,-0.3 3,-0.1 104,-0.3 -1,-0.0 -0.458 44.0 -79.0 -76.3 167.3 -20.7 20.7 -10.7 11 14 A P - 0 0 113 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.188 62.9 -74.7 -65.9 163.0 -24.2 21.5 -9.2 12 15 A T - 0 0 109 1,-0.1 87,-0.1 -3,-0.1 80,-0.0 -0.220 48.9-127.9 -55.0 132.1 -27.2 19.2 -9.7 13 16 A R - 0 0 37 -3,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.766 25.4-122.2 -86.0 134.3 -28.6 19.5 -13.3 14 17 A P - 0 0 111 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.401 15.9-151.6 -74.8 151.9 -32.3 20.2 -13.4 15 18 A V - 0 0 8 -2,-0.1 73,-0.1 4,-0.1 65,-0.0 -0.994 35.1 -98.9-119.0 130.5 -34.8 18.0 -15.2 16 19 A P > - 0 0 54 0, 0.0 3,-1.7 0, 0.0 0, 0.0 -0.149 33.8-125.3 -48.3 131.9 -38.0 19.6 -16.6 17 20 A N T 3 S+ 0 0 150 1,-0.3 4,-0.1 3,-0.0 -2,-0.0 0.798 103.9 66.6 -59.1 -29.0 -40.8 18.9 -14.0 18 21 A W T 3 S+ 0 0 193 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 0.710 80.1 91.2 -66.8 -16.8 -43.1 17.3 -16.6 19 22 A I S < S- 0 0 4 -3,-1.7 68,-0.1 68,-0.1 2,-0.1 -0.698 87.5-116.7 -84.2 120.0 -40.7 14.4 -17.1 20 23 A A - 0 0 69 -2,-0.6 68,-0.2 66,-0.2 115,-0.1 -0.302 22.9-138.7 -66.0 136.6 -41.6 11.7 -14.6 21 24 A R - 0 0 89 -4,-0.1 -1,-0.1 -2,-0.1 69,-0.0 -0.674 23.5-108.5 -84.8 143.0 -39.1 10.7 -11.9 22 25 A P > - 0 0 5 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.379 36.3-108.8 -58.2 155.4 -38.6 7.1 -11.0 23 26 A E T 3 S+ 0 0 63 1,-0.3 4,-0.1 8,-0.1 -2,-0.1 0.747 113.6 63.6 -60.4 -25.7 -40.0 6.3 -7.5 24 27 A Y T > + 0 0 7 2,-0.1 3,-2.0 7,-0.1 71,-0.4 0.543 68.7 124.6 -81.9 -6.3 -36.6 6.0 -6.0 25 28 A V T < S+ 0 0 45 -3,-1.7 69,-0.1 1,-0.3 68,-0.1 -0.381 87.6 1.9 -61.8 123.4 -35.5 9.6 -6.5 26 29 A G T 3 S+ 0 0 76 67,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.201 108.0 114.1 86.0 -8.0 -34.5 11.2 -3.2 27 30 A K S < S- 0 0 94 -3,-2.0 68,-0.3 66,-0.3 -1,-0.3 -0.431 74.6-120.2 -95.5 159.5 -35.1 7.9 -1.2 28 31 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.770 93.2 10.6 -71.1 -21.6 -32.5 5.8 0.6 29 32 A A S S- 0 0 56 -5,-0.1 2,-0.4 -4,-0.0 -2,-0.1 -0.901 77.0-110.9-149.1 167.1 -33.3 2.7 -1.5 30 33 A A - 0 0 20 -2,-0.3 2,-1.6 2,-0.1 177,-0.0 -0.898 24.4-121.7-108.2 148.3 -35.3 1.6 -4.6 31 34 A Q S S+ 0 0 133 -2,-0.4 2,-0.3 2,-0.0 -8,-0.1 -0.692 75.6 109.6 -84.5 83.0 -38.4 -0.5 -4.7 32 35 A E + 0 0 45 -2,-1.6 178,-0.2 175,-0.1 -2,-0.1 -0.961 26.1 75.8-153.4 153.9 -36.8 -3.1 -7.0 33 36 A G S S+ 0 0 39 -2,-0.3 177,-0.1 176,-0.1 -2,-0.0 0.290 89.1 60.3 124.2 -9.3 -35.6 -6.7 -6.8 34 37 A S S S+ 0 0 112 177,-0.1 177,-0.2 2,-0.1 176,-0.1 0.003 70.5 123.4-134.0 31.7 -38.8 -8.8 -6.9 35 38 A E S S- 0 0 38 175,-1.4 177,-0.1 1,-0.1 -3,-0.0 -0.497 72.1 -82.0 -93.2 162.5 -40.5 -7.9 -10.3 36 39 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 176,-0.1 -0.344 29.6-146.6 -66.6 142.3 -41.4 -10.4 -13.0 37 40 A W S S+ 0 0 88 193,-0.1 194,-1.1 -3,-0.1 2,-0.5 0.790 83.9 66.7 -77.7 -31.9 -38.5 -11.3 -15.3 38 41 A V B S-A 230 0A 54 192,-0.2 192,-0.3 167,-0.0 2,-0.2 -0.826 81.7-143.8 -93.0 130.7 -40.7 -11.7 -18.4 39 42 A Q - 0 0 20 190,-2.7 -2,-0.1 -2,-0.5 166,-0.0 -0.566 14.1-110.0 -93.3 154.5 -42.2 -8.5 -19.6 40 43 A T > - 0 0 71 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.375 33.5-108.9 -68.7 161.4 -45.6 -7.9 -21.0 41 44 A P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.893 120.4 56.1 -62.9 -34.5 -45.9 -6.9 -24.7 42 45 A E H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.902 109.0 45.3 -59.9 -44.6 -46.9 -3.4 -23.6 43 46 A V H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 108.6 56.2 -70.5 -38.1 -43.7 -3.0 -21.5 44 47 A I H X S+ 0 0 26 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.931 106.7 50.6 -60.8 -40.2 -41.5 -4.4 -24.3 45 48 A E H X S+ 0 0 123 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.919 112.2 47.3 -60.4 -43.3 -42.8 -1.7 -26.6 46 49 A K H X S+ 0 0 83 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.863 107.7 56.4 -64.6 -40.6 -42.0 1.0 -24.0 47 50 A M H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.822 97.9 60.9 -68.3 -26.1 -38.6 -0.5 -23.5 48 51 A R H X S+ 0 0 83 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 108.2 46.5 -61.3 -40.5 -37.7 -0.1 -27.2 49 52 A V H X S+ 0 0 53 -4,-1.1 4,-2.2 2,-0.2 5,-0.2 0.954 114.0 45.4 -64.3 -52.5 -38.3 3.7 -26.7 50 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 88,-0.3 0.910 113.2 50.4 -62.9 -35.5 -36.2 3.9 -23.6 51 54 A G H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.897 109.7 50.4 -66.3 -42.3 -33.4 1.8 -25.0 52 55 A R H X S+ 0 0 133 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.900 112.3 47.1 -61.1 -41.3 -33.3 3.9 -28.2 53 56 A I H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.890 111.9 49.4 -70.7 -42.8 -33.1 7.1 -26.1 54 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.940 111.1 51.2 -61.5 -42.2 -30.3 5.7 -23.8 55 58 A A H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 110.5 49.2 -65.8 -36.9 -28.4 4.6 -26.9 56 59 A G H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.900 110.9 49.3 -68.1 -38.8 -28.7 8.1 -28.4 57 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.920 111.3 48.5 -66.6 -41.6 -27.5 9.7 -25.3 58 61 A L H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.935 112.9 48.4 -62.2 -42.2 -24.5 7.4 -25.0 59 62 A A H X S+ 0 0 50 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.898 110.3 51.0 -66.1 -41.1 -23.6 8.1 -28.6 60 63 A E H X S+ 0 0 66 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.927 114.0 44.3 -64.2 -45.5 -23.9 11.9 -28.3 61 64 A A H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.909 109.0 57.3 -66.8 -37.5 -21.6 11.9 -25.2 62 65 A G H >< S+ 0 0 8 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.821 97.7 61.4 -60.2 -36.3 -19.2 9.5 -26.8 63 66 A K H 3< S+ 0 0 153 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.759 101.1 55.8 -60.1 -22.9 -18.7 11.9 -29.7 64 67 A A T << S+ 0 0 29 -3,-1.3 2,-0.5 -4,-0.7 -1,-0.3 0.538 75.4 116.5 -94.1 1.5 -17.4 14.4 -27.2 65 68 A V < + 0 0 18 -3,-1.6 82,-0.2 -4,-0.3 6,-0.0 -0.498 39.9 125.9 -70.2 119.3 -14.6 12.1 -25.8 66 69 A A > - 0 0 43 -2,-0.5 3,-1.9 80,-0.1 53,-0.2 -0.950 69.7 -77.6-165.6 148.1 -11.4 13.9 -26.7 67 70 A P T 3 S+ 0 0 64 0, 0.0 53,-0.3 0, 0.0 3,-0.1 -0.416 117.7 33.7 -53.1 134.8 -8.3 15.0 -24.7 68 71 A G T 3 S+ 0 0 57 51,-3.2 2,-0.2 1,-0.4 52,-0.1 0.159 89.8 113.3 101.8 -13.7 -9.2 18.2 -23.0 69 72 A V < - 0 0 22 -3,-1.9 50,-3.2 -5,-0.1 -1,-0.4 -0.565 61.1-129.9 -83.3 151.2 -12.8 17.5 -22.2 70 73 A T B > -B 118 0B 40 48,-0.2 4,-1.3 -2,-0.2 3,-0.2 -0.658 16.1-124.2 -96.5 159.7 -14.0 17.0 -18.6 71 74 A T H > S+ 0 0 3 46,-1.8 4,-2.0 44,-0.5 45,-0.2 0.857 113.1 63.7 -71.8 -29.5 -16.1 14.0 -17.6 72 75 A D H > S+ 0 0 24 43,-2.6 4,-2.2 45,-0.3 -1,-0.2 0.878 99.2 53.5 -57.1 -38.1 -18.6 16.6 -16.3 73 76 A E H > S+ 0 0 61 42,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.880 103.8 54.6 -65.1 -39.9 -19.1 17.8 -19.9 74 77 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.902 109.7 49.6 -52.8 -47.6 -19.9 14.2 -21.0 75 78 A D H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.905 106.9 52.6 -60.4 -42.5 -22.6 14.3 -18.4 76 79 A R H X S+ 0 0 78 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.937 111.7 47.4 -58.7 -43.1 -24.0 17.6 -19.5 77 80 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.932 114.3 45.8 -67.6 -46.7 -24.3 16.2 -23.1 78 81 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.939 114.5 49.0 -57.0 -49.1 -25.9 13.0 -22.0 79 82 A H H X S+ 0 0 6 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.944 111.3 48.5 -55.8 -47.9 -28.3 14.8 -19.6 80 83 A E H X S+ 0 0 80 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.905 110.8 50.9 -59.4 -39.0 -29.3 17.3 -22.2 81 84 A Y H X S+ 0 0 62 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.925 111.7 47.4 -64.2 -48.2 -30.0 14.5 -24.8 82 85 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.2 3,-0.7 0.951 115.0 44.1 -62.1 -48.8 -32.1 12.6 -22.4 83 86 A V H ><5S+ 0 0 18 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.880 108.5 57.3 -72.0 -27.0 -34.2 15.6 -21.3 84 87 A D H 3<5S+ 0 0 130 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.713 109.6 48.4 -68.6 -22.8 -34.6 16.9 -24.9 85 88 A N T <<5S- 0 0 61 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.169 123.5-103.7-104.6 16.8 -36.2 13.5 -25.7 86 89 A G T < 5S+ 0 0 15 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.669 78.0 128.7 83.0 18.3 -38.5 13.4 -22.7 87 90 A A < - 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