==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-04 1SOT . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.WILKEN,K.KITZING,R.KURZBAUER,M.EHRMANN,T.CLAUSEN . 858 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 62.7 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 . 244 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 88 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 3 0 0 4 0 2 0 0 0 1 2 0 0 0 0 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 11 8 11 7 6 0 2 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 . 6 0 0 1 0 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 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 42 A X 0 0 144 0, 0.0 454,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.4 35.2 34.6 -16.8 2 43 A T - 0 0 124 452,-0.1 3,-0.1 3,-0.0 2,-0.1 -0.920 360.0-126.2-110.0 122.2 32.7 33.0 -14.4 3 44 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 450,-0.0 -0.431 36.6-102.9 -64.5 141.9 33.9 32.1 -10.9 4 45 A A + 0 0 34 396,-0.1 396,-2.5 395,-0.1 450,-0.3 -0.450 59.5 161.8 -63.6 138.2 33.1 28.4 -10.2 5 46 A S B -A 399 0A 45 394,-0.3 394,-0.3 -2,-0.1 3,-0.2 -0.990 50.4-153.0-162.9 150.5 30.1 28.4 -7.9 6 47 A Y >> + 0 0 28 392,-2.4 4,-1.8 -2,-0.3 3,-0.6 -0.008 61.9 120.8-109.6 23.0 27.2 26.4 -6.4 7 48 A N H 3> + 0 0 21 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.804 66.3 62.0 -59.3 -28.6 25.1 29.5 -5.8 8 49 A L H 3> S+ 0 0 50 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 103.4 48.6 -65.4 -42.9 22.3 28.2 -8.1 9 50 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 158,-0.3 5,-0.4 0.943 113.7 48.9 -60.0 -44.9 21.7 25.2 -5.8 10 51 A V H X S+ 0 0 9 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.970 110.8 47.3 -60.9 -55.0 21.7 27.6 -2.8 11 52 A R H < S+ 0 0 148 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 117.0 45.4 -56.3 -35.3 19.2 30.1 -4.3 12 53 A R H < S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 127.9 20.8 -77.7 -40.7 16.9 27.3 -5.3 13 54 A A H >< S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.2 4,-0.2 0.813 102.0 79.2 -99.7 -33.6 16.9 25.1 -2.2 14 55 A A G >< S+ 0 0 5 -4,-2.7 3,-1.8 -5,-0.4 54,-0.2 0.773 84.2 63.9 -53.2 -34.8 17.9 27.4 0.8 15 56 A P G 3 S+ 0 0 62 0, 0.0 53,-0.4 0, 0.0 -1,-0.3 0.684 99.7 55.2 -63.8 -20.1 14.5 29.1 1.3 16 57 A A G < S+ 0 0 2 -3,-2.1 27,-2.7 83,-0.1 2,-0.7 0.398 84.9 94.5 -92.1 1.3 12.9 25.8 2.2 17 58 A V E < -B 42 0B 0 -3,-1.8 51,-0.3 -4,-0.2 25,-0.2 -0.855 62.4-169.4 -94.6 116.4 15.4 25.0 5.1 18 59 A V E -B 41 0B 0 23,-2.5 23,-1.7 -2,-0.7 2,-0.4 -0.600 26.9-111.8-105.5 167.0 13.9 26.2 8.4 19 60 A N E -BC 40 66B 22 47,-2.7 47,-2.5 21,-0.2 2,-0.5 -0.841 32.4-158.0 -91.7 131.2 15.1 26.6 12.0 20 61 A V E -BC 39 65B 1 19,-2.7 19,-1.7 -2,-0.4 2,-0.5 -0.969 5.7-164.8-114.4 126.1 13.3 24.1 14.3 21 62 A Y E -BC 38 64B 29 43,-3.2 43,-2.3 -2,-0.5 2,-0.6 -0.956 9.5-157.3-117.4 124.8 13.1 25.0 18.1 22 63 A N E -BC 37 63B 0 15,-3.0 14,-2.9 -2,-0.5 15,-1.6 -0.858 22.2-173.2 -95.4 119.6 12.1 22.4 20.8 23 64 A R E -BC 35 62B 70 39,-2.7 38,-3.0 -2,-0.6 39,-1.5 -0.931 6.8-154.7-120.9 144.8 10.8 24.3 23.8 24 65 A G E -B 34 0B 0 10,-2.7 10,-1.6 -2,-0.4 3,-0.2 -0.852 20.5-157.0-120.7 155.3 9.8 23.1 27.3 25 66 A L S S+ 0 0 81 -2,-0.3 3,-0.3 8,-0.2 -1,-0.1 0.683 98.8 44.4 -95.8 -26.1 7.5 24.1 30.1 26 67 A N S S+ 0 0 134 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.157 84.4 99.5-110.8 39.4 9.4 22.3 33.0 27 68 A T S S+ 0 0 58 5,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.706 88.0 27.6 -92.3 -28.8 12.9 23.4 31.9 28 69 A N S > S- 0 0 33 -3,-0.3 3,-1.3 4,-0.2 -1,-0.1 -0.839 90.0-104.8-128.1 168.1 13.2 26.2 34.4 29 70 A S T 3 S+ 0 0 93 -2,-0.3 -3,-0.0 1,-0.3 -1,-0.0 0.724 114.4 57.1 -69.8 -23.0 11.6 26.7 37.8 30 71 A H T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.320 106.7-121.7 -93.3 10.2 9.1 29.3 36.7 31 72 A N < + 0 0 100 -3,-1.3 2,-0.4 1,-0.2 -5,-0.1 0.910 58.5 153.0 53.7 45.7 7.5 27.0 34.2 32 73 A Q - 0 0 123 1,-0.0 -5,-0.3 -4,-0.0 -1,-0.2 -0.926 55.2 -98.2-110.0 134.5 8.2 29.4 31.3 33 74 A L + 0 0 63 -2,-0.4 2,-0.3 -10,-0.1 -8,-0.2 -0.244 54.6 171.1 -51.5 125.3 8.7 28.1 27.7 34 75 A E E -B 24 0B 91 -10,-1.6 -10,-2.7 -6,-0.0 2,-0.3 -0.989 40.0 -95.8-143.2 149.9 12.4 27.9 27.1 35 76 A I E +B 23 0B 67 -2,-0.3 -12,-0.3 -12,-0.2 3,-0.1 -0.476 39.7 167.1 -68.6 124.1 14.5 26.5 24.3 36 77 A R E + 0 0 117 -14,-2.9 2,-0.3 1,-0.4 -13,-0.2 0.683 68.9 6.0-105.0 -31.8 15.8 23.0 25.2 37 78 A T E -B 22 0B 52 -15,-1.6 -15,-3.0 19,-0.1 -1,-0.4 -0.993 60.4-156.9-154.3 151.6 17.1 22.0 21.7 38 79 A L E +B 21 0B 48 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.894 23.8 140.2-128.7 157.4 17.6 23.6 18.3 39 80 A G E -B 20 0B 6 -19,-1.7 -19,-2.7 -2,-0.3 2,-0.3 -0.930 40.2 -92.4-171.1-167.6 17.9 22.1 14.8 40 81 A S E -B 19 0B 0 120,-2.2 13,-0.5 -2,-0.3 2,-0.3 -0.801 29.6-173.6-123.9 163.8 17.0 22.4 11.2 41 82 A G E -B 18 0B 0 -23,-1.7 -23,-2.5 -2,-0.3 2,-0.4 -0.960 18.7-127.4-151.8 171.6 14.2 21.1 9.1 42 83 A V E -BD 17 51B 0 9,-2.7 9,-2.4 -2,-0.3 2,-0.6 -0.980 17.3-133.4-130.0 121.8 13.0 21.0 5.4 43 84 A I E - D 0 50B 0 -27,-2.7 57,-2.5 -2,-0.4 7,-0.2 -0.680 22.7-174.5 -76.5 119.2 9.6 22.1 4.1 44 85 A X - 0 0 16 5,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.801 57.8 -13.8 -85.3 -37.8 8.5 19.2 1.9 45 86 A D S > S- 0 0 34 4,-1.0 3,-1.8 53,-0.1 4,-0.4 -0.977 72.8 -87.5-160.0 173.9 5.3 20.7 0.4 46 87 A Q T 3 S+ 0 0 121 -2,-0.3 50,-0.1 1,-0.3 47,-0.1 0.536 107.6 76.6 -69.2 -5.4 2.7 23.4 0.6 47 88 A R T 3 S- 0 0 135 2,-0.1 46,-0.3 45,-0.1 -1,-0.3 0.576 116.6-102.7 -78.2 -7.0 0.5 21.6 3.1 48 89 A G < + 0 0 0 -3,-1.8 43,-2.2 1,-0.3 2,-0.4 0.585 68.0 152.5 100.2 8.7 3.0 22.6 5.8 49 90 A Y E - E 0 90B 36 -4,-0.4 -5,-2.9 41,-0.2 -4,-1.0 -0.648 19.6-175.5 -80.5 128.9 4.8 19.2 6.2 50 91 A I E -DE 43 89B 0 39,-2.3 39,-2.9 -2,-0.4 2,-0.4 -0.945 15.8-146.2-124.8 135.1 8.4 19.6 7.4 51 92 A I E +DE 42 88B 2 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.2 -0.888 32.5 148.8-103.5 137.8 10.9 16.8 7.9 52 93 A T E - E 0 87B 0 35,-2.4 35,-2.1 -2,-0.4 2,-0.4 -0.770 50.1 -70.0-145.9-168.5 13.5 17.2 10.8 53 94 A N E >> - E 0 86B 0 -13,-0.5 3,-1.1 33,-0.2 4,-0.9 -0.762 30.1-136.1 -95.5 141.7 15.4 14.8 13.1 54 95 A K H >> S+ 0 0 37 31,-0.5 4,-1.3 -2,-0.4 3,-1.2 0.944 106.0 58.7 -59.2 -44.2 13.6 12.9 15.9 55 96 A H H 34 S+ 0 0 61 1,-0.3 -1,-0.2 2,-0.2 31,-0.1 0.674 100.6 59.6 -61.9 -11.8 16.4 13.8 18.4 56 97 A V H <4 S+ 0 0 2 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.818 114.7 30.3 -85.1 -29.5 15.6 17.5 17.7 57 98 A I H X< S+ 0 0 5 -3,-1.2 3,-2.0 -4,-0.9 -2,-0.2 0.410 82.6 141.1-110.6 2.0 12.0 17.4 18.8 58 99 A N T 3< S- 0 0 57 -4,-1.3 -3,-0.0 1,-0.3 -5,-0.0 -0.228 80.2 -8.3 -50.6 126.3 12.1 14.7 21.4 59 100 A D T 3 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.652 90.5 161.6 57.4 25.9 9.9 15.5 24.4 60 101 A A < - 0 0 27 -3,-2.0 -36,-0.2 1,-0.1 -1,-0.2 -0.410 34.1-162.4 -74.1 150.6 9.1 19.0 23.3 61 102 A D S S+ 0 0 93 -38,-3.0 2,-0.3 1,-0.4 -37,-0.2 0.534 84.9 17.6-103.2 -17.0 6.1 20.9 24.8 62 103 A Q E -C 23 0B 35 -39,-1.5 -39,-2.7 -5,-0.1 2,-0.5 -0.935 66.8-158.8-155.1 130.3 6.2 23.4 21.9 63 104 A I E -CF 22 75B 13 12,-0.6 12,-2.5 -2,-0.3 2,-0.4 -0.959 11.9-168.6-114.1 123.9 7.8 23.2 18.5 64 105 A I E -CF 21 74B 27 -43,-2.3 -43,-3.2 -2,-0.5 2,-0.4 -0.931 4.1-160.7-113.4 139.9 8.5 26.5 16.7 65 106 A V E -CF 20 73B 0 8,-3.4 8,-2.9 -2,-0.4 2,-0.4 -0.975 5.2-169.0-119.7 130.5 9.5 26.7 13.1 66 107 A A E -CF 19 72B 13 -47,-2.5 -47,-2.7 -2,-0.4 6,-0.2 -0.977 8.7-151.1-121.8 132.3 11.2 29.9 11.7 67 108 A L > - 0 0 8 4,-3.2 3,-2.0 -2,-0.4 -49,-0.1 -0.639 26.8-114.5 -97.9 160.4 11.7 30.5 8.0 68 109 A Q T 3 S+ 0 0 89 -53,-0.4 -1,-0.1 -51,-0.3 -52,-0.1 0.780 114.4 63.5 -61.1 -28.3 14.4 32.5 6.2 69 110 A D T 3 S- 0 0 94 -54,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.409 123.3-102.6 -80.1 7.9 11.8 35.0 5.0 70 111 A G S < S+ 0 0 59 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.223 76.5 134.8 98.4 -16.4 11.1 35.9 8.6 71 112 A R - 0 0 76 -5,-0.1 -4,-3.2 1,-0.0 2,-0.4 -0.412 36.1-160.2 -72.3 148.3 7.9 34.0 9.2 72 113 A V E +F 66 0B 96 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.993 11.8 176.4-132.0 131.5 7.5 32.0 12.4 73 114 A F E -F 65 0B 25 -8,-2.9 -8,-3.4 -2,-0.4 2,-0.4 -0.935 30.4-123.1-133.7 154.7 5.0 29.2 13.0 74 115 A E E -F 64 0B 103 -2,-0.3 18,-0.5 -10,-0.2 2,-0.3 -0.814 35.7-150.1 -94.6 139.0 4.1 26.7 15.7 75 116 A A E -FG 63 91B 3 -12,-2.5 -12,-0.6 -2,-0.4 2,-0.4 -0.815 7.0-140.3-112.8 151.3 4.3 23.2 14.4 76 117 A L E - G 0 90B 104 14,-2.6 14,-2.2 -2,-0.3 2,-0.5 -0.857 23.4-121.9-108.1 143.0 2.5 20.0 15.4 77 118 A L E + G 0 89B 83 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.719 26.9 179.3 -82.4 125.5 4.3 16.7 15.6 78 119 A V E - 0 0 40 10,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.767 59.9 -51.8 -99.4 -21.2 2.7 14.2 13.2 79 120 A G E - G 0 88B 9 9,-1.2 9,-2.6 2,-0.0 -1,-0.4 -0.921 46.0-137.0 166.1 167.4 5.1 11.4 14.1 80 121 A S E - G 0 87B 37 124,-0.4 126,-0.5 -2,-0.3 2,-0.3 -0.923 5.0-147.0-144.9 166.1 8.7 10.1 14.4 81 122 A D E >>> - G 0 86B 11 5,-2.6 5,-1.6 -2,-0.3 4,-1.3 -0.887 1.1-165.8-142.6 106.6 10.9 7.1 13.6 82 123 A S T 345S+ 0 0 78 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.890 89.1 62.0 -58.4 -41.6 13.8 6.1 15.9 83 124 A L T 345S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.1 61,-0.2 0.769 119.4 24.8 -60.0 -24.8 15.3 3.8 13.3 84 125 A T T <45S- 0 0 4 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.470 99.1-127.0-115.8 -0.1 15.9 6.8 10.9 85 126 A D T <5 + 0 0 15 -4,-1.3 -31,-0.5 -3,-0.3 2,-0.4 0.910 65.7 138.0 51.1 41.4 16.1 9.5 13.5 86 127 A L E < -EG 53 81B 3 -5,-1.6 -5,-2.6 -33,-0.3 2,-0.3 -0.918 31.2-179.6-116.8 146.2 13.4 11.3 11.4 87 128 A A E -EG 52 80B 0 -35,-2.1 -35,-2.4 -2,-0.4 2,-0.4 -0.966 17.4-140.1-135.4 155.3 10.3 13.2 12.5 88 129 A V E -EG 51 79B 2 -9,-2.6 -10,-3.3 -2,-0.3 -9,-1.2 -0.965 17.3-169.7-119.4 131.1 7.5 15.0 10.6 89 130 A L E -EG 50 77B 0 -39,-2.9 -39,-2.3 -2,-0.4 2,-0.4 -0.780 10.2-147.4-114.7 164.7 6.0 18.3 11.6 90 131 A K E -EG 49 76B 57 -14,-2.2 -14,-2.6 -2,-0.3 2,-0.3 -0.988 11.2-172.7-137.3 116.9 3.0 20.2 10.4 91 132 A I E - 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