==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-02 1KY9 . COMPND 2 MOLECULE: PROTEASE DO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.KROJER,M.GARRIDO-FRANCO,R.HUBER,M.EHRMANN,T.CLAUSEN . 707 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 4 1 1 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 8 11 7 2 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 2 2 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 11 A Q 0 0 234 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-143.4 51.1 41.3 9.0 2 12 A X - 0 0 171 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.380 360.0-107.1 -71.9 140.8 52.7 40.8 12.4 3 13 A P + 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 49.1 167.3 -62.9 145.2 53.9 37.3 13.6 4 14 A S - 0 0 75 1,-0.1 4,-0.3 -2,-0.0 0, 0.0 -0.989 45.5-143.1-156.8 158.5 51.6 35.9 16.3 5 15 A L S > S+ 0 0 64 -2,-0.3 4,-2.8 2,-0.1 3,-0.4 0.631 85.4 91.8 -95.9 -16.8 50.9 32.6 18.1 6 16 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 78.8 60.6 -44.0 -46.9 47.2 33.4 18.2 7 17 A P H > S+ 0 0 80 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.949 113.5 32.9 -50.5 -57.1 46.7 31.6 14.9 8 18 A X H >> S+ 0 0 17 -3,-0.4 4,-1.2 -4,-0.3 3,-1.1 0.860 112.9 62.5 -71.0 -29.3 47.9 28.2 16.2 9 19 A L H 3X S+ 0 0 25 -4,-2.8 4,-3.1 1,-0.3 3,-0.5 0.878 98.0 57.7 -60.2 -35.0 46.6 28.9 19.7 10 20 A E H 3< S+ 0 0 154 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.740 107.4 47.5 -69.8 -19.8 43.1 29.0 18.2 11 21 A K H << S+ 0 0 165 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.657 119.6 39.4 -91.4 -16.0 43.5 25.5 16.9 12 22 A V H >X S+ 0 0 5 -4,-1.2 3,-2.4 -3,-0.5 4,-0.6 0.810 96.1 73.5 -99.8 -40.2 44.9 24.2 20.2 13 23 A X G >< S+ 0 0 38 -4,-3.1 3,-1.4 1,-0.3 69,-0.4 0.792 86.6 65.4 -49.9 -34.9 42.8 25.9 22.9 14 24 A P G 34 S+ 0 0 45 0, 0.0 98,-0.4 0, 0.0 -1,-0.3 0.750 102.4 50.9 -61.0 -22.5 39.7 23.7 22.2 15 25 A S G <4 S+ 0 0 3 -3,-2.4 41,-2.7 96,-0.1 2,-0.5 0.554 95.5 83.6 -88.1 -14.5 41.7 20.7 23.4 16 26 A V E << -A 55 0A 2 -3,-1.4 66,-0.6 -4,-0.6 2,-0.3 -0.823 65.6-170.5 -96.3 129.6 42.8 22.4 26.6 17 27 A V E -AB 54 81A 1 37,-2.8 37,-2.3 -2,-0.5 2,-0.4 -0.822 22.4-123.8-121.9 161.5 40.3 22.2 29.4 18 28 A S E -AB 53 80A 21 62,-2.4 62,-2.4 -2,-0.3 2,-0.5 -0.838 23.9-154.2-100.7 132.4 39.7 23.7 32.8 19 29 A I E -AB 52 79A 0 33,-2.7 33,-1.8 -2,-0.4 2,-0.6 -0.938 8.0-169.1-117.3 121.3 39.3 21.3 35.8 20 30 A N E -AB 51 78A 63 58,-2.1 58,-2.2 -2,-0.5 2,-0.4 -0.922 12.7-167.6-111.0 113.6 37.3 22.1 38.9 21 31 A V E -AB 50 77A 2 29,-2.3 29,-1.1 -2,-0.6 2,-0.5 -0.822 12.5-171.0-104.5 137.7 37.8 19.6 41.7 22 32 A E E +AB 49 76A 85 54,-2.8 53,-2.7 -2,-0.4 54,-2.2 -0.990 26.2 155.8-125.9 118.1 35.8 19.4 44.9 23 33 A G E -AB 48 74A 0 25,-2.2 25,-4.2 -2,-0.5 2,-0.4 -0.940 34.5-132.5-141.7 167.7 37.3 17.0 47.4 24 34 A S E -A 47 0A 31 49,-0.8 2,-0.3 -2,-0.3 23,-0.2 -0.914 20.5-173.7-120.6 147.3 37.4 16.1 51.1 25 35 A T E -A 46 0A 51 21,-2.6 21,-3.2 -2,-0.4 2,-0.5 -0.990 30.3-108.0-141.6 148.9 40.5 15.3 53.2 26 36 A T E +A 45 0A 105 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.640 46.4 176.9 -78.1 123.0 41.2 14.1 56.7 27 37 A V E -A 44 0A 46 17,-3.9 17,-3.3 -2,-0.5 2,-0.1 -0.874 33.2 -96.4-129.0 159.0 42.7 16.9 58.9 28 38 A N - 0 0 142 -2,-0.3 3,-0.0 15,-0.2 -1,-0.0 -0.452 43.5-110.0 -69.5 139.6 43.8 17.5 62.5 29 39 A T - 0 0 84 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.603 43.3-107.4 -73.1 119.2 41.2 19.2 64.8 30 40 A P - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.189 30.1-143.5 -49.0 132.4 42.5 22.7 65.4 31 41 A R - 0 0 105 2,-0.0 9,-0.0 -3,-0.0 -3,-0.0 -0.879 35.9 -99.6-101.7 127.5 43.9 23.1 69.0 32 42 A X S S+ 0 0 129 -2,-0.5 2,-0.2 2,-0.1 0, 0.0 -0.862 79.0 28.2-139.8 173.8 43.2 26.5 70.6 33 43 A P S S- 0 0 108 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 0.464 80.7-127.0 -57.7 153.3 43.6 29.3 71.6 34 44 A R - 0 0 224 -2,-0.2 2,-0.7 2,-0.0 -2,-0.1 -0.722 25.4-168.2 -82.8 115.5 46.1 29.9 68.9 35 45 A N > - 0 0 69 -2,-0.7 3,-1.7 1,-0.1 -1,-0.0 -0.905 11.3-158.8-106.2 108.1 49.3 31.2 70.4 36 46 A F T 3 S+ 0 0 183 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.340 88.3 65.8 -69.5 11.9 51.6 32.5 67.7 37 47 A Q T 3 S+ 0 0 143 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.139 90.0 85.7-115.9 17.5 54.6 32.2 70.0 38 48 A Q < - 0 0 99 -3,-1.7 2,-1.0 2,-0.0 -3,-0.1 -0.959 65.6-144.0-129.2 142.3 54.4 28.4 70.2 39 49 A F - 0 0 212 -2,-0.4 2,-0.4 2,-0.1 -3,-0.1 -0.834 36.6-177.2 -97.8 95.1 55.6 25.4 68.2 40 50 A F 0 0 143 -2,-1.0 -2,-0.0 -9,-0.0 -9,-0.0 -0.803 360.0 360.0-104.5 140.1 52.7 22.9 68.5 41 51 A G 0 0 117 -2,-0.4 -2,-0.1 0, 0.0 -1,-0.0 -0.049 360.0 360.0 44.3 360.0 52.5 19.4 67.2 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 79 A G 0 0 87 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 0.000 360.0 360.0 360.0 134.8 40.8 14.2 63.2 44 80 A Q E -A 27 0A 89 -17,-3.3 -17,-3.9 -19,-0.1 2,-0.4 -0.926 360.0 -99.6-142.0 163.0 38.0 15.5 61.0 45 81 A Q E -A 26 0A 112 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.724 34.9-166.5 -87.5 133.5 37.0 15.7 57.3 46 82 A Q E -A 25 0A 112 -21,-3.2 -21,-2.6 -2,-0.4 2,-0.3 -0.982 15.3-133.5-124.9 129.8 37.7 19.0 55.5 47 83 A K E -A 24 0A 133 -2,-0.4 2,-0.3 -23,-0.2 -23,-0.3 -0.571 29.1-179.3 -77.6 138.3 36.3 20.0 52.1 48 84 A F E -A 23 0A 53 -25,-4.2 -25,-2.2 -2,-0.3 2,-0.4 -0.856 22.1-140.1-132.7 168.3 38.8 21.5 49.7 49 85 A X E -A 22 0A 162 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.958 18.8-175.3-133.4 114.3 38.7 22.9 46.2 50 86 A A E -A 21 0A 22 -29,-1.1 -29,-2.3 -2,-0.4 2,-0.3 -0.689 5.4-167.2-102.9 162.8 41.5 22.2 43.8 51 87 A L E +A 20 0A 66 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.996 19.2 125.5-150.3 149.6 41.8 23.7 40.3 52 88 A G E -A 19 0A 8 -33,-1.8 -33,-2.7 -2,-0.3 2,-0.3 -0.957 43.0 -79.3-175.9-165.6 43.9 23.0 37.2 53 89 A S E -A 18 0A 2 -2,-0.3 14,-0.4 -35,-0.2 2,-0.3 -0.869 29.2-179.5-125.2 157.4 44.3 22.3 33.6 54 90 A G E -A 17 0A 2 -37,-2.3 -37,-2.8 -2,-0.3 2,-0.4 -0.952 20.0-130.3-147.1 166.7 44.1 19.3 31.3 55 91 A V E -AC 16 65A 1 10,-2.0 10,-2.3 -2,-0.3 2,-0.7 -0.975 24.7-120.1-124.4 136.4 44.4 18.3 27.7 56 92 A I E + C 0 64A 0 -41,-2.7 58,-2.7 -2,-0.4 8,-0.2 -0.668 35.7 169.9 -78.4 115.3 42.0 16.2 25.7 57 93 A I E + 0 0 25 6,-2.2 2,-0.3 -2,-0.7 7,-0.2 0.573 69.0 27.6-102.4 -19.5 43.9 13.1 24.6 58 94 A D E >> - C 0 63A 55 5,-1.3 4,-1.9 1,-0.1 5,-1.5 -0.829 60.9-170.0-149.9 106.0 41.1 11.0 23.2 59 95 A A T 45S+ 0 0 34 -2,-0.3 52,-0.2 3,-0.2 -1,-0.1 0.830 85.7 47.3 -67.5 -38.1 37.9 12.6 21.8 60 96 A D T 45S+ 0 0 53 1,-0.2 -1,-0.2 50,-0.1 -2,-0.0 0.973 123.9 33.1 -71.0 -51.9 35.7 9.6 21.4 61 97 A K T 45S- 0 0 14 2,-0.1 339,-0.5 338,-0.0 -2,-0.2 0.768 104.2-133.1 -73.1 -24.1 36.4 8.2 24.8 62 98 A G T <5 + 0 0 0 -4,-1.9 43,-2.8 1,-0.2 2,-0.3 0.853 39.5 172.5 74.6 35.8 36.8 11.7 26.2 63 99 A Y E < -CD 58 104A 26 -5,-1.5 -6,-2.2 41,-0.2 -5,-1.3 -0.619 11.3-167.9 -80.8 132.4 40.1 10.9 28.1 64 100 A V E -CD 56 103A 0 39,-3.6 39,-3.2 -2,-0.3 2,-0.3 -0.981 9.5-149.2-128.1 125.0 41.7 13.9 29.7 65 101 A V E +CD 55 102A 1 -10,-2.3 -10,-2.0 -2,-0.5 2,-0.2 -0.674 33.3 141.3 -91.7 143.9 45.2 14.0 31.1 66 102 A T E - D 0 101A 2 35,-2.7 35,-2.3 -2,-0.3 2,-0.4 -0.812 50.1 -60.8-157.3-164.3 46.0 16.3 34.0 67 103 A N E >> - D 0 100A 1 -14,-0.4 3,-2.1 -2,-0.2 4,-1.4 -0.799 27.0-139.0-102.1 139.7 48.1 16.4 37.2 68 104 A N H 3> S+ 0 0 11 31,-1.1 4,-1.5 -2,-0.4 -1,-0.1 0.821 103.6 64.0 -62.0 -26.9 47.7 14.1 40.1 69 105 A H H 34 S+ 0 0 47 30,-0.4 -1,-0.3 1,-0.2 124,-0.2 0.488 106.6 45.7 -75.8 3.7 48.1 17.0 42.5 70 106 A V H <4 S+ 0 0 4 -3,-2.1 -1,-0.2 -20,-0.1 -2,-0.2 0.706 120.1 33.8-111.5 -31.2 44.9 18.5 41.0 71 107 A V H >< S+ 0 0 0 -4,-1.4 3,-1.3 3,-0.1 -2,-0.2 0.455 85.5 122.1-109.2 -0.8 42.7 15.6 41.0 72 108 A D T 3< S+ 0 0 57 -4,-1.5 3,-0.1 1,-0.3 -22,-0.1 -0.344 83.8 6.0 -64.3 138.3 43.9 13.7 44.1 73 109 A N T 3 S+ 0 0 88 1,-0.2 -49,-0.8 -50,-0.1 -1,-0.3 0.766 92.4 161.1 60.1 25.6 41.3 13.1 46.8 74 110 A A E < +B 23 0A 26 -3,-1.3 -51,-0.3 -51,-0.2 -1,-0.2 -0.461 27.4 178.4 -78.7 152.4 38.6 14.4 44.5 75 111 A T E S+ 0 0 94 -53,-2.7 2,-0.4 1,-0.5 -52,-0.2 0.509 78.2 19.9-121.8 -30.4 35.0 13.6 45.1 76 112 A V E -B 22 0A 53 -54,-2.2 -54,-2.8 2,-0.0 -1,-0.5 -0.985 68.4-171.1-142.7 130.2 33.5 15.5 42.3 77 113 A I E -BE 21 89A 10 12,-0.6 12,-1.7 -2,-0.4 2,-0.3 -0.991 2.7-171.7-127.4 137.4 35.3 16.7 39.3 78 114 A K E -BE 20 88A 85 -58,-2.2 -58,-2.1 -2,-0.4 2,-0.4 -0.890 6.2-155.7-121.0 156.4 34.0 19.1 36.6 79 115 A V E -BE 19 87A 0 8,-2.0 8,-2.3 -2,-0.3 2,-0.5 -0.997 3.3-165.1-136.9 132.0 35.4 20.1 33.3 80 116 A Q E -BE 18 86A 77 -62,-2.4 -62,-2.4 -2,-0.4 6,-0.2 -0.978 13.8-143.8-121.5 128.3 34.9 23.3 31.2 81 117 A L E > -B 17 0A 6 4,-2.2 3,-2.4 -2,-0.5 -64,-0.1 -0.482 34.0-104.6 -80.5 158.7 35.9 23.5 27.5 82 118 A S T 3 S+ 0 0 69 -66,-0.6 -1,-0.1 -69,-0.4 -65,-0.1 0.724 120.6 62.1 -59.4 -17.3 37.2 26.7 26.3 83 119 A D T 3 S- 0 0 96 -69,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.650 121.5-102.3 -82.6 -13.0 33.9 27.3 24.5 84 120 A G S < S+ 0 0 38 -3,-2.4 -2,-0.1 1,-0.4 -1,-0.0 0.062 76.2 133.6 119.8 -28.7 32.0 27.3 27.8 85 121 A R - 0 0 79 -5,-0.1 -4,-2.2 1,-0.1 2,-0.4 -0.170 39.8-153.2 -55.9 144.5 30.4 23.8 27.9 86 122 A K E +E 80 0A 151 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.944 14.2 179.1-125.7 146.1 30.8 21.9 31.1 87 123 A F E -E 79 0A 25 -8,-2.3 -8,-2.0 -2,-0.4 2,-0.3 -0.901 28.0-117.1-136.8 166.6 30.9 18.1 31.7 88 124 A D E -E 78 0A 69 18,-0.5 18,-3.4 -2,-0.3 2,-0.3 -0.778 33.1-165.6 -99.4 156.4 31.2 15.8 34.7 89 125 A A E -EF 77 105A 4 -12,-1.7 -12,-0.6 -2,-0.3 2,-0.4 -0.968 11.4-148.7-141.5 153.1 34.2 13.5 34.8 90 126 A K E - F 0 104A 83 14,-2.4 14,-3.1 -2,-0.3 2,-0.1 -0.918 30.0-106.5-121.4 150.4 35.2 10.5 36.7 91 127 A X E + F 0 103A 44 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.359 33.2 175.3 -68.7 146.2 38.7 9.6 37.6 92 128 A V E - 0 0 8 10,-2.6 2,-0.3 1,-0.4 11,-0.2 0.653 61.4 -19.2-126.0 -22.5 40.4 6.7 35.8 93 129 A G E - F 0 102A 2 9,-1.5 9,-3.1 124,-0.0 -1,-0.4 -0.943 52.4-165.8-176.9 153.0 44.0 6.6 37.0 94 130 A K E - F 0 101A 75 124,-0.6 126,-0.4 7,-0.3 7,-0.3 -0.989 6.7-160.6-148.4 156.3 46.7 8.6 38.8 95 131 A D E >> - 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