==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-11 3TY6 . COMPND 2 MOLECULE: ATP-DEPENDENT PROTEASE SUBUNIT HSLV; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,R.MULLIGAN,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 1066 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 742 69.6 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 . 263 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 48 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 1 0 0 0 0 0 0 0 0 0 12 6 0 4 2 0 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 . 5 9 5 20 11 5 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 . 0 5 7 6 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 3 A N 0 0 120 0, 0.0 26,-1.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 4.9 33.0 -2.5 -18.4 2 4 A F E -A 26 0A 151 24,-0.2 2,-0.5 1,-0.1 24,-0.3 -0.433 360.0-137.3 -87.2 142.2 32.4 -6.3 -18.1 3 5 A H E -A 25 0A 37 22,-4.0 22,-1.0 24,-0.2 -1,-0.1 -0.825 31.7-114.8 -95.8 132.5 32.1 -8.9 -20.8 4 6 A A - 0 0 30 -2,-0.5 125,-0.5 20,-0.1 126,-0.2 -0.228 21.9-122.6 -64.8 146.1 29.4 -11.5 -20.2 5 7 A T - 0 0 4 47,-1.0 124,-0.7 123,-0.1 2,-0.5 -0.273 36.6-101.7 -75.1 178.0 30.2 -15.2 -19.6 6 8 A T E -C 128 0B 0 122,-0.2 15,-1.4 123,-0.1 2,-0.4 -0.897 34.3-170.5-113.8 130.9 28.6 -17.7 -22.1 7 9 A I E -CD 127 20B 1 120,-2.2 120,-2.1 -2,-0.5 2,-0.3 -0.939 3.5-177.7-122.5 142.8 25.6 -19.8 -21.3 8 10 A F E -CD 126 19B 0 11,-2.9 11,-2.8 -2,-0.4 2,-0.3 -0.970 3.2-172.6-137.1 147.5 24.1 -22.7 -23.4 9 11 A A E +CD 125 18B 0 116,-2.7 116,-2.9 -2,-0.3 2,-0.4 -0.975 5.3 179.5-146.1 135.0 21.0 -24.9 -22.9 10 12 A V E -CD 124 17B 0 7,-2.3 7,-1.4 -2,-0.3 2,-0.6 -0.992 23.0-152.8-141.7 132.3 19.8 -28.0 -24.8 11 13 A H E + D 0 16B 34 112,-2.3 2,-0.3 -2,-0.4 5,-0.2 -0.905 35.2 167.6 -89.9 119.2 16.9 -30.4 -24.7 12 14 A H E > - D 0 15B 12 3,-4.2 3,-2.3 -2,-0.6 139,-0.4 -0.952 57.3 -22.2-144.5 131.4 18.2 -33.7 -26.1 13 15 A N T 3 S- 0 0 118 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.793 128.5 -48.4 48.7 35.0 16.9 -37.3 -26.2 14 16 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 91,-0.1 -1,-0.3 0.609 120.0 115.6 80.0 13.2 14.7 -36.4 -23.2 15 17 A E E < -D 12 0B 81 -3,-2.3 -3,-4.2 2,-0.0 2,-0.4 -0.894 49.8-155.0-114.7 148.9 17.6 -34.9 -21.4 16 18 A C E +D 11 0B 12 -2,-0.4 162,-0.6 162,-0.3 2,-0.3 -0.908 15.0 171.2-119.4 146.2 18.1 -31.3 -20.4 17 19 A A E -DE 10 177B 0 -7,-1.4 -7,-2.3 -2,-0.4 2,-0.4 -0.985 14.1-171.6-149.9 146.8 21.4 -29.4 -19.8 18 20 A M E +DE 9 176B 0 158,-2.7 158,-3.9 -2,-0.3 2,-0.3 -0.993 17.8 177.1-132.2 143.1 22.5 -25.9 -19.2 19 21 A A E -DE 8 175B 0 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.3 -0.988 10.0-178.0-147.5 153.7 26.1 -24.8 -19.1 20 22 A G E -DE 7 174B 5 154,-1.8 154,-2.1 -2,-0.3 -13,-0.2 -0.982 21.7-123.7-150.4 156.2 28.3 -21.8 -18.7 21 23 A D E - E 0 173B 6 -15,-1.4 152,-0.2 -2,-0.3 150,-0.1 -0.458 17.0-131.5 -96.4 175.1 32.0 -20.8 -18.7 22 24 A G + 0 0 0 150,-1.1 13,-0.3 12,-0.3 151,-0.1 0.641 60.4 123.6-101.0 -15.0 33.8 -19.0 -16.0 23 25 A Q - 0 0 15 11,-0.3 2,-0.5 149,-0.2 11,-0.2 -0.222 35.2-174.6 -60.7 126.2 35.6 -16.3 -17.9 24 26 A V E - B 0 33A 20 9,-3.1 8,-2.9 -19,-0.1 9,-1.5 -0.979 3.6-169.0-121.8 116.7 35.0 -12.8 -16.8 25 27 A T E -AB 3 31A 5 -22,-1.0 -22,-4.0 -2,-0.5 2,-0.4 -0.917 2.9-173.4-110.7 110.9 36.5 -10.1 -18.9 26 28 A M E > +AB 2 30A 62 4,-2.2 4,-0.8 -2,-0.6 -24,-0.2 -0.867 64.6 22.1-102.5 138.2 36.5 -6.5 -17.6 27 29 A G T >4 S- 0 0 9 -26,-1.8 3,-0.8 -2,-0.4 -24,-0.2 0.185 102.4 -89.0 81.9 149.0 37.7 -3.8 -19.9 28 30 A N T 34 S+ 0 0 115 1,-0.2 -1,-0.2 -26,-0.1 -26,-0.0 0.745 129.6 41.1 -66.0 -18.8 37.5 -4.7 -23.6 29 31 A A T 34 S+ 0 0 97 -3,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.557 102.4 74.9 -98.3 -11.0 41.0 -6.1 -23.1 30 32 A V E << -B 26 0A 68 -3,-0.8 -4,-2.2 -4,-0.8 2,-0.6 -0.898 55.5-142.0-138.5 136.0 41.2 -7.9 -19.7 31 33 A V E +B 25 0A 61 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.669 19.6 170.6 -86.5 117.1 40.2 -11.1 -17.8 32 34 A M E + 0 0 111 -8,-2.9 2,-0.3 -2,-0.6 -7,-0.2 0.879 64.2 17.0 -84.5 -44.1 39.2 -10.7 -14.2 33 35 A K E -B 24 0A 101 -9,-1.5 -9,-3.1 -11,-0.1 -1,-0.2 -0.977 43.3-161.6-143.6 142.1 37.8 -14.1 -13.2 34 36 A H S S+ 0 0 108 -2,-0.3 -11,-0.3 -11,-0.2 -12,-0.3 0.362 79.6 32.5-100.6 1.8 37.9 -17.7 -14.5 35 37 A T + 0 0 71 -13,-0.3 2,-0.3 -14,-0.1 -13,-0.1 -0.940 53.7 141.5-151.4 162.9 34.8 -19.0 -12.5 36 38 A A - 0 0 24 -2,-0.3 2,-0.4 3,-0.0 3,-0.1 -0.890 46.6-108.1 177.9 172.8 31.4 -18.0 -11.1 37 39 A R + 0 0 212 -2,-0.3 -15,-0.1 1,-0.1 3,-0.0 -0.788 50.3 144.2-119.6 96.2 28.0 -19.5 -10.7 38 40 A K + 0 0 32 -2,-0.4 13,-1.7 1,-0.1 2,-0.6 0.416 61.7 69.5-104.7 -2.6 25.5 -17.8 -13.1 39 41 A V E +F 50 0C 19 11,-0.2 2,-0.4 -3,-0.1 11,-0.2 -0.975 64.2 164.7-112.9 112.8 23.5 -21.0 -13.8 40 42 A R E -F 49 0C 86 9,-1.7 9,-1.6 -2,-0.6 2,-0.0 -0.987 34.7-119.2-130.1 143.0 21.5 -22.0 -10.8 41 43 A K E -F 48 0C 83 -2,-0.4 2,-0.3 7,-0.2 7,-0.3 -0.319 34.4-172.5 -70.5 160.5 18.6 -24.5 -10.6 42 44 A L E >>> +F 47 0C 6 5,-4.1 5,-2.2 1,-0.2 3,-0.8 -0.861 49.5 41.6-140.7 177.0 15.2 -23.3 -9.3 43 45 A F G >45S- 0 0 40 1,-0.3 3,-1.6 -2,-0.3 -1,-0.2 0.877 131.8 -44.7 50.4 54.5 11.8 -24.4 -8.3 44 46 A Q G 345S- 0 0 162 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.786 110.1 -56.7 61.6 31.6 12.9 -27.5 -6.4 45 47 A G G <45S+ 0 0 32 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.510 118.9 108.4 79.6 4.4 15.4 -28.5 -9.1 46 48 A K T <<5S+ 0 0 133 -3,-1.6 2,-0.4 -4,-0.6 59,-0.3 0.767 74.9 49.4 -81.2 -25.2 12.7 -28.6 -11.7 47 49 A V E < -F 42 0C 4 -5,-2.2 -5,-4.1 57,-0.1 2,-0.4 -0.936 62.1-159.6-123.9 134.8 13.9 -25.5 -13.4 48 50 A L E +FG 41 103C 0 55,-2.0 55,-2.2 -2,-0.4 2,-0.3 -0.914 17.4 178.8-105.2 139.6 17.3 -24.3 -14.6 49 51 A A E -FG 40 102C 0 -9,-1.6 -9,-1.7 -2,-0.4 2,-0.3 -0.986 4.1-175.7-135.7 147.4 17.8 -20.6 -15.2 50 52 A G E -FG 39 101C 0 51,-2.4 51,-2.4 -2,-0.3 2,-0.4 -0.999 8.6-173.4-149.8 149.8 20.9 -18.7 -16.3 51 53 A F E - G 0 100C 1 -13,-1.7 49,-0.2 -2,-0.3 7,-0.1 -0.982 15.8-153.7-144.8 124.3 21.8 -15.1 -16.8 52 54 A A + 0 0 2 47,-0.9 -47,-1.0 -2,-0.4 -1,-0.1 0.770 69.4 78.9 -72.5 -25.6 25.0 -13.9 -18.3 53 55 A G S S- 0 0 14 46,-0.2 -2,-0.1 -49,-0.1 5,-0.1 0.301 87.5 -31.2 -82.2-159.1 25.1 -10.5 -16.5 54 56 A S > - 0 0 59 1,-0.1 4,-2.8 3,-0.1 5,-0.2 0.031 51.0-119.1 -63.4 157.6 26.1 -9.1 -13.1 55 57 A V H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 113.2 49.1 -62.4 -47.0 25.7 -11.0 -9.8 56 58 A A H > S+ 0 0 69 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.836 115.1 48.0 -63.4 -31.1 23.3 -8.6 -8.2 57 59 A D H > S+ 0 0 48 2,-0.2 4,-2.6 3,-0.1 5,-0.3 0.944 108.5 49.7 -73.8 -51.6 21.2 -8.7 -11.4 58 60 A A H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.937 111.9 50.7 -52.9 -48.6 21.1 -12.5 -11.9 59 61 A F H X S+ 0 0 114 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.870 110.6 49.8 -57.8 -39.5 20.0 -12.9 -8.2 60 62 A T H X S+ 0 0 56 -4,-1.1 4,-2.4 -5,-0.2 -1,-0.2 0.918 115.7 40.3 -67.6 -44.9 17.3 -10.3 -8.7 61 63 A L H X S+ 0 0 1 -4,-2.6 4,-4.4 2,-0.2 5,-0.3 0.897 113.7 51.8 -72.3 -45.0 15.8 -11.9 -11.9 62 64 A F H X S+ 0 0 2 -4,-3.0 4,-2.9 -5,-0.3 5,-0.2 0.930 115.5 43.8 -54.3 -49.0 16.1 -15.5 -10.7 63 65 A E H X S+ 0 0 135 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.915 115.4 49.2 -60.2 -45.7 14.3 -14.4 -7.6 64 66 A M H X S+ 0 0 26 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.946 115.9 41.9 -59.3 -50.5 11.9 -12.4 -9.7 65 67 A F H X S+ 0 0 1 -4,-4.4 4,-2.5 1,-0.2 -2,-0.2 0.871 111.5 54.2 -66.7 -40.3 11.2 -15.3 -12.1 66 68 A E H X S+ 0 0 44 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.890 105.0 54.2 -65.3 -37.3 11.1 -18.0 -9.4 67 69 A G H X S+ 0 0 38 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.839 110.0 48.8 -62.2 -33.4 8.4 -15.9 -7.5 68 70 A K H X S+ 0 0 32 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.915 103.7 59.8 -67.6 -45.2 6.5 -16.0 -10.8 69 71 A L H <>S+ 0 0 1 -4,-2.5 5,-2.9 1,-0.2 6,-0.4 0.808 108.5 45.9 -54.1 -33.2 7.0 -19.8 -11.2 70 72 A E H ><5S+ 0 0 108 -4,-1.4 3,-1.9 3,-0.2 -1,-0.2 0.942 105.9 55.5 -78.7 -47.5 5.2 -20.3 -7.9 71 73 A E H 3<5S+ 0 0 111 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.856 114.9 41.5 -52.6 -39.5 2.2 -17.9 -8.4 72 74 A Y T 3<5S- 0 0 68 -4,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.263 115.3-112.6 -97.6 8.3 1.3 -19.8 -11.6 73 75 A N T < 5S- 0 0 144 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.919 76.1 -42.4 63.1 50.4 2.0 -23.3 -10.4 74 76 A G S - 0 0 57 -6,-0.4 4,-2.2 -7,-0.2 -1,-0.2 -0.807 27.1-169.7 -91.8 108.9 4.0 -22.9 -15.8 76 78 A L H > S+ 0 0 3 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.904 84.1 49.5 -64.8 -38.8 7.3 -22.0 -17.4 77 79 A Q H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.964 113.3 40.8 -69.1 -54.8 5.4 -20.2 -20.2 78 80 A R H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.936 117.3 52.7 -57.9 -44.4 3.0 -18.0 -18.2 79 81 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.959 105.9 50.7 -55.0 -57.2 5.8 -17.3 -15.8 80 82 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.793 111.0 51.4 -55.0 -30.9 8.3 -16.2 -18.4 81 83 A V H X S+ 0 0 25 -4,-1.6 4,-2.8 -3,-0.3 -1,-0.2 0.947 112.5 42.2 -72.9 -49.6 5.7 -13.8 -19.7 82 84 A E H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.821 115.7 53.4 -65.1 -29.9 4.8 -12.2 -16.4 83 85 A M H X S+ 0 0 0 -4,-3.3 4,-2.4 -5,-0.3 -2,-0.2 0.947 110.2 45.9 -63.2 -49.7 8.6 -12.3 -15.9 84 86 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.834 113.0 51.2 -64.9 -35.9 9.0 -10.4 -19.2 85 87 A K H X S+ 0 0 55 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.969 112.7 42.7 -64.2 -54.7 6.3 -8.0 -18.3 86 88 A Q H X S+ 0 0 93 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.897 115.3 50.0 -62.2 -43.0 7.6 -7.0 -14.9 87 89 A W H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 109.9 50.9 -58.7 -47.5 11.1 -6.8 -16.2 88 90 A R H < S+ 0 0 30 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.835 112.6 50.4 -56.8 -34.2 9.9 -4.6 -19.1 89 91 A G H < S+ 0 0 30 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.932 84.0 92.0 -73.6 -49.5 8.2 -2.5 -16.5 90 92 A D X - 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0 0 16 3,-2.9 -57,-0.1 -2,-0.3 74,-0.1 -0.741 52.8 -83.6-134.3-171.5 12.3 -27.1 -17.5 105 107 A K S S+ 0 0 156 -59,-0.3 -91,-0.1 -2,-0.2 -58,-0.1 0.912 125.1 34.9 -62.5 -44.2 11.9 -30.7 -18.6 106 108 A T S S+ 0 0 100 1,-0.1 2,-0.3 -95,-0.0 -1,-0.2 0.847 125.6 8.6 -82.2 -34.6 9.3 -30.1 -21.3 107 109 A T - 0 0 26 2,-0.0 -3,-2.9 16,-0.0 2,-0.3 -0.889 52.3-150.5-143.9 166.5 10.3 -26.6 -22.6 108 110 A M E -H 103 0C 3 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.994 17.2-174.6-145.2 143.6 12.9 -23.8 -22.6 109 111 A L E -H 102 0C 4 -7,-2.8 -7,-1.8 -2,-0.3 2,-0.4 -0.861 18.6-139.0-135.2 165.5 12.6 -20.1 -23.1 110 112 A L E -HI 101 118C 3 8,-1.7 8,-2.5 -2,-0.3 2,-0.3 -0.995 19.8-166.9-129.2 129.3 14.6 -16.9 -23.4 111 113 A V E -HI 100 117C 0 -11,-3.6 -11,-2.8 -2,-0.4 2,-0.3 -0.897 4.0-174.0-120.2 146.3 13.6 -13.6 -21.7 112 114 A S > - 0 0 5 4,-1.3 3,-1.6 -2,-0.3 4,-0.3 -0.879 39.4-111.3-133.1 167.1 14.8 -10.0 -22.2 113 115 A G T 3 S+ 0 0 2 -17,-0.7 -16,-0.1 -15,-0.4 -17,-0.1 0.650 113.0 69.8 -72.6 -14.4 14.3 -6.6 -20.6 114 116 A T T 3 S- 0 0 67 -18,-0.2 122,-0.3 -17,-0.1 -1,-0.3 0.475 122.7-104.0 -80.6 -1.7 12.4 -5.5 -23.7 115 117 A G < + 0 0 0 -3,-1.6 120,-2.6 1,-0.3 2,-0.3 0.831 69.8 153.8 81.0 33.4 9.7 -7.9 -22.7 116 118 A E - 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