==== 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 16-MAR-04 1SOZ . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.WILKEN,K.KITZING,R.KURZBAUER,M.EHRMANN,T.CLAUSEN . 827 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 62.4 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 . 247 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.1 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 0.4 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 . 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 . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 2 0 1 3 1 0 0 0 0 0 3 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 . 7 8 12 7 10 3 0 3 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 . 7 0 0 0 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 M 0 0 164 0, 0.0 452,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.9 34.1 35.3 -16.3 2 43 A T - 0 0 118 450,-0.0 3,-0.1 3,-0.0 2,-0.1 -0.976 360.0-122.2-119.8 126.4 31.8 33.4 -14.1 3 44 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 448,-0.0 -0.350 32.0-103.8 -67.1 142.5 32.9 31.9 -10.7 4 45 A A + 0 0 35 394,-0.1 394,-2.4 393,-0.1 448,-0.3 -0.478 59.9 162.4 -61.5 136.3 32.6 28.2 -10.1 5 46 A S B -A 397 0A 45 392,-0.3 392,-0.3 -2,-0.1 3,-0.3 -0.977 52.9-156.6-164.2 145.6 29.5 27.8 -7.8 6 47 A Y >> + 0 0 27 390,-3.2 4,-1.5 -2,-0.3 3,-0.7 0.060 66.1 116.0-105.8 21.1 26.9 25.5 -6.4 7 48 A N H 3> + 0 0 28 1,-0.3 4,-3.1 389,-0.2 5,-0.3 0.856 66.2 63.4 -57.6 -36.5 24.7 28.5 -5.7 8 49 A L H 3> S+ 0 0 50 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.916 104.5 47.5 -55.5 -41.2 22.1 27.2 -8.2 9 50 A A H <> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 5,-0.4 0.867 112.3 50.5 -67.2 -34.3 21.6 24.2 -5.9 10 51 A V H X S+ 0 0 10 -4,-1.5 4,-1.6 385,-0.2 -2,-0.2 0.933 107.4 51.9 -68.0 -46.3 21.4 26.5 -2.9 11 52 A R H < S+ 0 0 152 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 116.6 40.1 -60.3 -34.0 18.7 28.8 -4.5 12 53 A R H < S+ 0 0 112 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.813 127.3 26.3 -88.7 -31.5 16.5 25.8 -5.3 13 54 A A H >< S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.2 4,-0.2 0.865 103.6 68.3-101.3 -44.1 16.9 23.6 -2.2 14 55 A A G >< S+ 0 0 3 -4,-1.6 3,-1.8 -5,-0.4 54,-0.2 0.753 87.5 66.3 -53.1 -39.2 17.7 25.7 0.8 15 56 A P G 3 S+ 0 0 56 0, 0.0 53,-0.5 0, 0.0 -1,-0.3 0.764 102.0 55.1 -56.8 -22.3 14.4 27.6 1.2 16 57 A A G < S+ 0 0 2 -3,-1.8 27,-2.8 83,-0.1 2,-0.5 0.511 86.7 87.0 -92.8 -7.4 12.9 24.3 2.0 17 58 A V E < -B 42 0B 0 -3,-1.8 51,-0.3 -4,-0.2 25,-0.2 -0.839 65.4-156.3-101.6 135.9 15.1 23.2 4.8 18 59 A V E -B 41 0B 0 23,-2.4 23,-1.8 -2,-0.5 2,-0.6 -0.606 21.8-115.0-107.9 161.3 14.1 24.3 8.2 19 60 A N E -BC 40 66B 17 47,-2.3 47,-2.4 21,-0.2 2,-0.5 -0.872 34.9-160.0 -93.4 119.3 15.4 25.0 11.7 20 61 A V E -BC 39 65B 0 19,-2.5 19,-3.1 -2,-0.6 2,-0.4 -0.906 6.7-169.0-103.5 129.1 13.8 22.5 14.1 21 62 A Y E -BC 38 64B 37 43,-2.6 43,-2.3 -2,-0.5 2,-0.6 -0.963 12.2-152.2-122.3 136.4 13.7 23.2 17.9 22 63 A N E -BC 37 63B 1 15,-3.4 14,-3.3 -2,-0.4 15,-1.6 -0.919 21.0-173.7-106.7 114.3 12.8 20.8 20.6 23 64 A R E -BC 35 62B 69 39,-3.1 38,-2.4 -2,-0.6 39,-1.5 -0.924 5.5-156.3-116.9 136.7 11.4 22.6 23.6 24 65 A G E -B 34 0B 0 10,-2.9 10,-1.3 -2,-0.4 3,-0.4 -0.764 20.1-152.4-112.2 159.9 10.4 21.2 27.0 25 66 A L S S+ 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.597 100.1 47.4 -97.1 -18.8 8.1 22.2 29.9 26 67 A N S S+ 0 0 152 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.384 84.9 97.7-117.7 53.4 10.1 20.5 32.6 27 68 A T S S+ 0 0 58 -3,-0.4 2,-0.3 5,-0.3 -1,-0.1 0.692 89.1 24.7-109.7 -34.4 13.5 21.9 31.5 28 69 A N S > S- 0 0 37 4,-0.3 3,-0.9 -3,-0.2 -1,-0.2 -0.744 90.5-107.9-121.1 171.7 13.7 24.9 33.9 29 70 A S T 3 S+ 0 0 105 -2,-0.3 -4,-0.0 1,-0.2 -3,-0.0 0.630 113.9 62.4 -82.6 -5.6 12.0 25.1 37.3 30 71 A H T 3 S- 0 0 124 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.373 102.4-127.6 -97.7 7.4 9.5 27.7 36.1 31 72 A N < + 0 0 112 -3,-0.9 2,-0.4 1,-0.2 -5,-0.1 0.843 58.8 144.2 45.9 43.3 8.0 25.4 33.4 32 73 A Q - 0 0 124 1,-0.1 -5,-0.3 -8,-0.0 -4,-0.3 -0.841 61.9 -88.3-102.7 145.7 8.5 27.9 30.7 33 74 A L + 0 0 65 -2,-0.4 2,-0.4 -3,-0.1 -8,-0.2 -0.287 54.1 171.5 -59.6 129.1 9.4 26.5 27.2 34 75 A E E -B 24 0B 93 -10,-1.3 -10,-2.9 -2,-0.1 2,-0.1 -0.999 38.6-104.2-142.9 140.1 13.1 26.1 26.6 35 76 A I E +B 23 0B 78 -2,-0.4 -12,-0.3 -12,-0.3 3,-0.1 -0.397 34.3 171.8 -60.8 129.6 15.1 24.5 23.9 36 77 A R E S- 0 0 110 -14,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.522 72.4 -4.4-111.1 -23.6 16.4 21.1 25.0 37 78 A T E -B 22 0B 39 -15,-1.6 -15,-3.4 -3,-0.1 -1,-0.4 -0.988 61.4-164.1-163.9 161.4 17.6 20.4 21.5 38 79 A L E +B 21 0B 19 -2,-0.3 2,-0.2 -17,-0.2 -17,-0.2 -0.992 18.5 139.5-152.7 157.7 17.7 21.6 18.0 39 80 A G E -B 20 0B 0 -19,-3.1 -19,-2.5 -2,-0.3 2,-0.3 -0.809 43.7 -70.8-167.1-150.8 18.4 20.4 14.5 40 81 A S E -B 19 0B 0 120,-4.8 13,-0.5 -21,-0.2 2,-0.3 -0.769 30.6-166.7-125.3 170.7 17.1 20.7 11.0 41 82 A G E -BD 18 52B 0 -23,-1.8 -23,-2.4 -2,-0.3 2,-0.5 -0.954 14.4-135.1-148.3 166.7 14.2 19.6 8.9 42 83 A V E -BD 17 51B 0 9,-2.3 9,-2.3 -2,-0.3 2,-0.6 -0.970 16.5-134.6-134.1 121.0 13.1 19.3 5.3 43 84 A I E - D 0 50B 0 -27,-2.8 57,-3.0 -2,-0.5 7,-0.2 -0.661 24.2-176.9 -76.2 118.2 9.7 20.4 4.0 44 85 A M - 0 0 18 5,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.822 57.7 -6.0 -84.6 -44.8 8.6 17.5 1.7 45 86 A D S > S- 0 0 34 4,-0.9 3,-1.4 53,-0.1 4,-0.3 -0.928 77.5 -91.6-146.4 174.9 5.2 18.7 0.2 46 87 A Q T 3 S+ 0 0 123 -2,-0.3 47,-0.2 1,-0.2 50,-0.1 0.504 106.8 78.9 -74.1 2.4 2.8 21.5 0.6 47 88 A R T 3 S- 0 0 136 2,-0.1 -1,-0.2 45,-0.1 46,-0.2 0.618 115.8-101.0 -82.3 -9.9 0.6 19.8 3.2 48 89 A G < + 0 0 0 -3,-1.4 43,-1.8 1,-0.3 2,-0.5 0.568 69.9 152.5 103.3 13.4 3.2 20.8 5.8 49 90 A Y E - E 0 90B 41 -4,-0.3 -5,-2.4 41,-0.2 -4,-0.9 -0.660 19.2-177.9 -80.8 127.2 4.9 17.4 6.1 50 91 A I E -DE 43 89B 0 39,-2.4 39,-3.2 -2,-0.5 2,-0.3 -0.990 17.7-142.6-127.5 130.5 8.4 17.8 7.1 51 92 A I E +DE 42 88B 1 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.3 -0.649 33.6 148.3 -89.0 148.8 11.0 15.0 7.6 52 93 A T E -DE 41 87B 0 35,-2.5 35,-3.5 -2,-0.3 2,-0.3 -0.920 48.0 -72.1-158.9-176.4 13.6 15.3 10.5 53 94 A N E >> - E 0 86B 0 -13,-0.5 4,-1.0 -2,-0.3 3,-0.8 -0.675 28.6-137.8 -90.0 146.2 15.5 13.0 12.9 54 95 A K H >> S+ 0 0 34 31,-1.4 4,-1.9 -2,-0.3 3,-1.1 0.951 103.4 58.0 -66.3 -47.9 13.9 11.2 15.7 55 96 A H H 34 S+ 0 0 71 1,-0.3 -1,-0.2 2,-0.2 31,-0.1 0.578 103.2 57.9 -58.7 -10.3 16.7 12.0 18.2 56 97 A V H <4 S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.818 117.0 28.0 -89.0 -35.6 16.0 15.6 17.5 57 98 A I H X< S+ 0 0 2 -3,-1.1 3,-1.5 -4,-1.0 -2,-0.2 0.482 85.2 138.1-105.9 -2.4 12.4 15.7 18.5 58 99 A N T 3< S- 0 0 54 -4,-1.9 -3,-0.0 1,-0.3 -5,-0.0 -0.123 79.7 -6.5 -48.3 131.2 12.3 12.9 21.1 59 100 A D T 3 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.764 92.4 159.6 53.4 35.2 10.3 13.6 24.2 60 101 A A < - 0 0 29 -3,-1.5 -36,-0.2 1,-0.1 -1,-0.2 -0.479 38.7-158.1 -86.7 156.3 9.5 17.2 23.2 61 102 A D S S+ 0 0 90 -38,-2.4 2,-0.3 1,-0.5 -37,-0.2 0.627 86.6 10.7-100.9 -21.8 6.7 19.3 24.6 62 103 A Q E -C 23 0B 30 -39,-1.5 -39,-3.1 -5,-0.0 2,-0.5 -0.952 65.9-156.1-155.8 134.9 6.7 21.6 21.7 63 104 A I E -CF 22 75B 11 12,-0.6 12,-3.0 -2,-0.3 2,-0.4 -0.983 14.2-158.8-116.2 123.0 8.5 21.4 18.4 64 105 A I E -CF 21 74B 25 -43,-2.3 -43,-2.6 -2,-0.5 2,-0.5 -0.912 3.3-162.5-105.3 131.5 9.1 24.7 16.6 65 106 A V E -CF 20 73B 0 8,-2.9 8,-3.1 -2,-0.4 2,-0.4 -0.955 6.9-169.9-114.1 126.5 9.8 24.9 12.8 66 107 A A E -CF 19 72B 18 -47,-2.4 -47,-2.3 -2,-0.5 2,-0.2 -0.979 9.3-148.7-118.0 129.4 11.4 28.1 11.5 67 108 A L > - 0 0 9 4,-3.0 3,-2.5 -2,-0.4 -49,-0.1 -0.633 26.3-116.1 -96.3 156.8 11.7 28.8 7.8 68 109 A Q T 3 S+ 0 0 78 -53,-0.5 -1,-0.1 -51,-0.3 -52,-0.1 0.748 114.4 64.4 -60.9 -17.7 14.4 30.8 6.0 69 110 A D T 3 S- 0 0 91 -54,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.459 121.4-102.7 -87.1 1.8 11.6 33.2 5.1 70 111 A G S < S+ 0 0 58 -3,-2.5 -2,-0.1 1,-0.4 2,-0.1 0.156 77.6 129.6 103.9 -19.5 10.9 34.2 8.6 71 112 A R - 0 0 76 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.447 38.5-160.3 -74.0 147.9 7.8 32.3 9.4 72 113 A V E -F 66 0B 93 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.984 9.8-177.1-126.7 134.8 7.7 30.1 12.6 73 114 A F E -F 65 0B 35 -8,-3.1 -8,-2.9 -2,-0.4 2,-0.4 -0.947 29.6-123.6-132.0 156.8 5.2 27.3 13.2 74 115 A E E -F 64 0B 132 -2,-0.3 18,-0.4 -10,-0.2 2,-0.3 -0.789 39.5-144.5 -90.8 139.4 4.4 24.9 16.0 75 116 A A E -F 63 0B 10 -12,-3.0 -12,-0.6 -2,-0.4 2,-0.4 -0.848 5.9-139.9-113.4 148.9 4.8 21.4 14.6 76 117 A L E -G 90 0B 105 14,-2.4 14,-1.4 -2,-0.3 2,-0.8 -0.807 20.0-128.0-101.8 143.2 2.8 18.2 15.3 77 118 A L E +G 89 0B 74 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.832 27.1 177.4 -92.7 112.6 4.6 14.9 15.5 78 119 A V E - 0 0 31 10,-2.6 2,-0.2 -2,-0.8 -1,-0.2 0.734 61.2 -43.9 -87.8 -20.8 2.9 12.4 13.2 79 120 A G E -G 88 0B 8 9,-0.9 9,-2.4 133,-0.0 -1,-0.3 -0.872 48.7-151.7 166.2 159.8 5.3 9.5 13.8 80 121 A S E -G 87 0B 35 131,-0.3 133,-0.4 -2,-0.2 2,-0.3 -0.921 8.9-143.3-146.0 170.6 8.9 8.4 14.2 81 122 A D E >>> -G 86 0B 7 5,-1.8 4,-2.5 -2,-0.3 5,-1.1 -0.895 3.9-162.3-146.5 110.2 11.0 5.3 13.6 82 123 A S T 345S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.2 -27,-0.1 0.911 89.9 62.8 -55.1 -46.8 13.9 4.2 15.9 83 124 A L T 345S+ 0 0 41 1,-0.2 -1,-0.2 2,-0.1 61,-0.1 0.789 121.8 18.2 -50.8 -39.6 15.3 1.9 13.2 84 125 A T T <45S- 0 0 2 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.552 99.3-127.7-107.5 -15.6 16.0 4.7 10.7 85 126 A D T <5 + 0 0 32 -4,-2.5 -31,-1.4 1,-0.3 2,-0.4 0.846 60.0 144.6 69.1 35.4 15.9 7.6 13.2 86 127 A L E < -EG 53 81B 1 -5,-1.1 -5,-1.8 -33,-0.3 2,-0.3 -0.852 27.3-175.6-107.4 141.7 13.4 9.4 10.9 87 128 A A E -EG 52 80B 0 -35,-3.5 -35,-2.5 -2,-0.4 2,-0.5 -0.949 13.6-146.3-132.4 155.2 10.6 11.5 12.2 88 129 A V E -EG 51 79B 1 -9,-2.4 -10,-2.6 -2,-0.3 -9,-0.9 -0.976 15.5-172.2-130.7 120.3 7.8 13.3 10.4 89 130 A L E -EG 50 77B 0 -39,-3.2 -39,-2.4 -2,-0.5 2,-0.3 -0.529 9.5-150.3-100.1 171.4 6.4 16.6 11.5 90 131 A K E -EG 49 76B 54 -14,-1.4 -14,-2.4 -41,-0.2 2,-0.3 -0.940 8.6-173.5-151.0 117.8 3.4 18.6 10.3 91 132 A I - 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