==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE ACTIVATOR 30-AUG-07 2R3Y . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.CLAUSEN,H.HASSELBLATT . 841 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 60.9 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 . 248 29.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 1 0.1 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 . 74 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 8.4 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 4 2 0 3 0 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 . 9 9 9 8 10 3 0 2 1 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 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 0 157 0, 0.0 446,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.4 68.9 -21.9 -16.3 2 43 A T - 0 0 120 444,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.947 360.0-129.8-116.6 122.4 71.1 -19.7 -14.1 3 44 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 442,-0.0 -0.413 34.0-104.1 -68.1 141.9 69.9 -18.4 -10.7 4 45 A A + 0 0 36 388,-0.1 388,-2.4 -2,-0.1 442,-0.3 -0.483 61.4 163.2 -60.9 136.9 70.3 -14.7 -10.2 5 46 A S B -A 391 0A 45 386,-0.3 386,-0.3 -2,-0.1 3,-0.2 -0.995 51.9-154.8-160.9 153.1 73.3 -14.4 -7.9 6 47 A Y >> + 0 0 25 384,-2.3 4,-1.9 -2,-0.3 3,-0.6 0.095 63.3 117.6-111.5 17.7 76.0 -12.2 -6.5 7 48 A N H 3> + 0 0 24 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.832 67.2 63.8 -53.9 -34.8 78.3 -15.1 -5.8 8 49 A L H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 105.4 45.0 -55.8 -48.1 80.9 -13.7 -8.3 9 50 A A H <> S+ 0 0 0 -3,-0.6 4,-2.3 158,-0.3 5,-0.4 0.909 114.9 49.0 -61.0 -42.2 81.3 -10.6 -5.9 10 51 A V H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.958 110.5 49.4 -62.1 -50.4 81.4 -13.0 -2.9 11 52 A R H < S+ 0 0 149 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.9 44.1 -56.6 -39.1 84.1 -15.2 -4.5 12 53 A R H < S+ 0 0 111 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.884 127.7 20.2 -77.5 -40.4 86.2 -12.3 -5.4 13 54 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.770 102.1 76.0-105.4 -28.9 86.1 -10.2 -2.3 14 55 A A G >< S+ 0 0 5 -4,-2.2 3,-2.1 -5,-0.4 54,-0.2 0.864 86.4 64.3 -55.2 -41.9 85.1 -12.3 0.7 15 56 A P G 3 S+ 0 0 56 0, 0.0 53,-0.4 0, 0.0 54,-0.3 0.754 101.5 55.2 -53.0 -25.2 88.5 -14.1 1.2 16 57 A A G < S+ 0 0 1 -3,-1.5 27,-2.8 83,-0.1 2,-0.6 0.531 87.1 85.8 -89.7 -10.4 90.0 -10.7 1.9 17 58 A V E < -B 42 0B 0 -3,-2.1 51,-0.3 -4,-0.3 25,-0.2 -0.850 65.2-161.5 -99.5 129.3 87.8 -9.7 4.8 18 59 A V E -B 41 0B 0 23,-2.2 23,-2.3 -2,-0.6 2,-0.5 -0.647 22.3-113.7-107.8 161.6 88.9 -10.9 8.2 19 60 A N E -BC 40 66B 16 47,-2.4 47,-2.4 21,-0.2 2,-0.4 -0.804 34.2-156.0 -92.2 129.2 87.4 -11.4 11.6 20 61 A V E -BC 39 65B 0 19,-3.3 19,-3.0 -2,-0.5 2,-0.5 -0.934 7.3-166.1-113.0 132.8 89.1 -9.1 14.1 21 62 A Y E -BC 38 64B 36 43,-2.6 43,-2.5 -2,-0.4 2,-0.7 -0.976 10.0-154.0-122.0 126.7 89.2 -9.8 17.9 22 63 A N E -BC 37 63B 0 15,-3.3 14,-3.5 -2,-0.5 15,-1.3 -0.873 22.5-174.2 -97.7 111.2 90.1 -7.3 20.5 23 64 A R E -BC 35 62B 70 39,-2.9 38,-2.5 -2,-0.7 39,-1.7 -0.846 6.2-155.5-111.8 146.6 91.5 -9.2 23.6 24 65 A G E -B 34 0B 1 10,-2.3 10,-1.2 -2,-0.3 3,-0.3 -0.832 20.9-149.6-120.9 160.1 92.5 -7.8 26.9 25 66 A L S S+ 0 0 83 -2,-0.3 3,-0.1 8,-0.2 -1,-0.1 0.548 100.9 44.2 -97.5 -14.9 94.8 -8.7 29.8 26 67 A N S S+ 0 0 148 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.290 83.5 98.1-126.7 46.8 92.7 -7.1 32.6 27 68 A T S S+ 0 0 59 -3,-0.3 2,-0.3 5,-0.3 -1,-0.1 0.670 90.7 27.8-102.1 -32.5 89.3 -8.4 31.4 28 69 A N S > S- 0 0 35 4,-0.2 3,-1.0 -4,-0.1 -1,-0.1 -0.813 89.9-110.6-123.8 167.8 89.2 -11.3 33.8 29 70 A S T 3 S+ 0 0 101 -2,-0.3 -4,-0.0 1,-0.2 -3,-0.0 0.627 114.7 56.1 -78.4 -14.6 90.9 -11.6 37.2 30 71 A H T 3 S- 0 0 132 2,-0.1 -1,-0.2 0, 0.0 -4,-0.1 0.343 105.9-128.5 -95.8 6.5 93.5 -14.2 36.1 31 72 A N < + 0 0 106 -3,-1.0 2,-0.4 1,-0.2 -2,-0.1 0.912 52.8 152.6 40.5 60.6 94.6 -11.9 33.4 32 73 A Q - 0 0 129 -8,-0.0 -5,-0.3 1,-0.0 -4,-0.2 -0.920 58.6 -88.2-110.2 139.2 94.3 -14.5 30.6 33 74 A L + 0 0 60 -2,-0.4 2,-0.3 -10,-0.1 -8,-0.2 -0.228 57.6 173.0 -52.0 132.5 93.6 -13.0 27.1 34 75 A E E -B 24 0B 93 -10,-1.2 -10,-2.3 -6,-0.1 -8,-0.1 -0.998 37.9 -98.2-146.5 142.0 89.9 -12.7 26.5 35 76 A I E +B 23 0B 67 -2,-0.3 -12,-0.3 -12,-0.2 3,-0.1 -0.377 36.7 169.3 -59.5 130.0 87.7 -11.1 23.8 36 77 A R E S- 0 0 109 -14,-3.5 2,-0.3 1,-0.6 -1,-0.2 0.687 72.4 -9.6-106.8 -43.9 86.5 -7.6 24.8 37 78 A T E -B 22 0B 46 -15,-1.3 -15,-3.3 19,-0.1 -1,-0.6 -0.961 63.0-160.9-149.4 165.3 85.1 -6.8 21.3 38 79 A L E +B 21 0B 20 -2,-0.3 2,-0.2 -17,-0.2 -17,-0.2 -0.976 21.0 138.9-149.1 155.5 85.1 -8.2 17.9 39 80 A G E -B 20 0B 0 -19,-3.0 -19,-3.3 -2,-0.3 2,-0.3 -0.820 43.1 -72.9-167.3-152.7 84.5 -7.0 14.4 40 81 A S E -B 19 0B 0 120,-3.9 13,-0.4 -21,-0.3 2,-0.3 -0.773 29.2-165.4-125.5 169.0 85.8 -7.3 10.8 41 82 A G E -B 18 0B 0 -23,-2.3 -23,-2.2 -2,-0.3 2,-0.5 -0.954 15.3-132.7-147.4 165.6 88.8 -6.1 8.8 42 83 A V E -BD 17 51B 0 9,-2.1 9,-2.1 -2,-0.3 2,-0.6 -0.970 17.9-132.6-129.5 119.9 89.8 -5.8 5.2 43 84 A I E - D 0 50B 0 -27,-2.8 57,-2.6 -2,-0.5 7,-0.2 -0.567 25.0-177.0 -71.2 115.3 93.2 -6.9 3.9 44 85 A M - 0 0 16 5,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.861 58.0 -7.7 -84.0 -41.0 94.4 -4.0 1.7 45 86 A D S > S- 0 0 34 4,-0.9 3,-1.5 53,-0.1 -1,-0.2 -0.926 74.3 -94.6-148.8 174.6 97.7 -5.2 0.3 46 87 A Q T 3 S+ 0 0 126 -2,-0.3 47,-0.2 1,-0.3 50,-0.1 0.483 108.0 79.3 -76.8 0.5 100.1 -8.1 0.6 47 88 A R T 3 S- 0 0 134 2,-0.1 -1,-0.3 45,-0.1 46,-0.3 0.707 115.6-106.2 -76.4 -16.6 102.3 -6.3 3.0 48 89 A G < + 0 0 0 -3,-1.5 43,-1.6 1,-0.3 2,-0.3 0.488 65.9 154.4 105.7 6.1 99.7 -7.3 5.6 49 90 A Y E - E 0 90B 35 41,-0.2 -5,-2.4 -4,-0.2 -4,-0.9 -0.523 20.7-171.8 -70.6 130.3 98.1 -3.9 6.1 50 91 A I E -DE 43 89B 0 39,-3.1 39,-3.1 -2,-0.3 2,-0.4 -0.960 14.6-145.1-127.4 139.8 94.5 -4.2 7.3 51 92 A I E +DE 42 88B 2 -9,-2.1 -9,-2.1 -2,-0.4 2,-0.3 -0.826 32.4 144.8-102.2 143.6 91.8 -1.6 7.7 52 93 A T E - E 0 87B 0 35,-2.3 35,-2.1 -2,-0.4 2,-0.4 -0.844 51.6 -71.5-153.7-169.1 89.3 -1.8 10.5 53 94 A N E >> - E 0 86B 0 -13,-0.4 4,-1.1 -2,-0.3 3,-0.7 -0.774 29.5-136.3 -96.9 143.8 87.4 0.5 12.8 54 95 A K H >> S+ 0 0 33 31,-1.2 4,-1.4 -2,-0.4 3,-1.0 0.949 106.1 57.3 -60.3 -47.2 89.1 2.3 15.6 55 96 A H H 34 S+ 0 0 64 1,-0.3 -1,-0.2 30,-0.2 31,-0.1 0.743 101.7 58.3 -56.9 -23.0 86.3 1.5 18.0 56 97 A V H <4 S+ 0 0 2 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.872 117.9 28.8 -74.8 -34.3 86.8 -2.2 17.3 57 98 A I H X< S+ 0 0 1 -4,-1.1 3,-1.4 -3,-1.0 -2,-0.2 0.401 82.7 135.7-109.4 5.1 90.4 -2.1 18.4 58 99 A N T 3< S- 0 0 54 -4,-1.4 -3,-0.0 1,-0.2 -5,-0.0 -0.202 80.0 -1.3 -54.5 143.9 90.6 0.6 21.1 59 100 A D T 3 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.691 90.0 159.9 46.4 33.0 92.6 -0.3 24.3 60 101 A A < - 0 0 29 -3,-1.4 -36,-0.2 1,-0.1 -1,-0.2 -0.568 36.1-163.1 -84.7 146.3 93.4 -3.8 23.1 61 102 A D S S+ 0 0 92 -38,-2.5 2,-0.3 1,-0.4 -37,-0.2 0.657 86.1 14.7 -93.8 -23.5 96.3 -5.8 24.6 62 103 A Q E -C 23 0B 33 -39,-1.7 -39,-2.9 2,-0.0 2,-0.5 -0.949 67.0-156.0-153.1 130.9 96.2 -8.2 21.7 63 104 A I E -CF 22 75B 12 12,-0.6 12,-2.9 -2,-0.3 2,-0.4 -0.956 14.1-163.1-112.3 121.2 94.6 -7.9 18.4 64 105 A I E -CF 21 74B 22 -43,-2.5 -43,-2.6 -2,-0.5 2,-0.5 -0.890 3.2-165.0-106.9 135.7 93.8 -11.2 16.6 65 106 A V E -CF 20 73B 0 8,-2.7 8,-2.9 -2,-0.4 2,-0.5 -0.982 4.1-169.9-122.2 124.4 93.0 -11.5 12.9 66 107 A A E -CF 19 72B 18 -47,-2.4 -47,-2.4 -2,-0.5 2,-0.2 -0.969 8.2-152.1-117.7 130.7 91.5 -14.7 11.5 67 108 A L > - 0 0 9 4,-2.6 3,-1.8 -2,-0.5 -49,-0.1 -0.621 27.7-115.2 -96.2 159.4 91.2 -15.3 7.8 68 109 A Q T 3 S+ 0 0 75 -53,-0.4 -1,-0.1 -51,-0.3 -52,-0.1 0.737 113.4 65.9 -64.8 -21.2 88.6 -17.4 6.0 69 110 A D T 3 S- 0 0 91 -54,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.353 121.3-103.4 -83.7 8.7 91.3 -19.8 4.9 70 111 A G S < S+ 0 0 59 -3,-1.8 2,-0.1 1,-0.3 -2,-0.1 0.218 77.1 131.9 96.4 -16.5 92.0 -20.8 8.5 71 112 A R - 0 0 74 -5,-0.1 -4,-2.6 1,-0.0 2,-0.4 -0.472 37.6-160.3 -75.1 146.0 95.1 -18.8 9.3 72 113 A V E -F 66 0B 96 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.981 11.6-179.9-126.6 134.2 95.2 -16.8 12.5 73 114 A F E -F 65 0B 35 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.4 -0.910 31.0-122.7-133.3 162.6 97.7 -13.9 13.2 74 115 A E E -F 64 0B 141 -2,-0.3 18,-0.4 -10,-0.2 2,-0.4 -0.856 38.0-146.9 -97.5 136.2 98.5 -11.4 15.9 75 116 A A E -F 63 0B 14 -12,-2.9 -12,-0.6 -2,-0.4 2,-0.3 -0.856 4.5-138.7-112.4 146.4 98.2 -7.9 14.4 76 117 A L E -G 90 0B 111 14,-2.8 14,-1.5 -2,-0.4 2,-0.8 -0.760 20.1-127.4 -97.9 143.7 100.2 -4.8 15.2 77 118 A L E +G 89 0B 73 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.829 28.6 176.4 -91.9 112.2 98.4 -1.5 15.5 78 119 A V E - 0 0 31 10,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.777 60.2 -42.8 -87.8 -23.2 100.1 0.9 13.2 79 120 A G E -G 88 0B 5 9,-1.3 9,-2.8 133,-0.0 -1,-0.3 -0.930 47.9-150.9 171.4 164.9 97.7 3.8 13.8 80 121 A S E -G 87 0B 36 131,-0.4 133,-0.4 -2,-0.3 2,-0.4 -0.958 9.9-141.9-150.3 165.9 94.1 5.0 14.1 81 122 A D E >>> -G 86 0B 8 5,-2.7 4,-2.4 -2,-0.3 5,-1.2 -0.896 2.4-164.8-141.1 107.8 92.0 8.1 13.5 82 123 A S T 345S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.2 -27,-0.1 0.915 89.1 60.0 -53.7 -50.3 89.2 9.2 15.9 83 124 A L T 345S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.1 63,-0.1 0.831 123.0 20.9 -49.6 -41.0 87.7 11.6 13.3 84 125 A T T <45S- 0 0 4 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.552 100.2-127.3-105.3 -12.2 87.0 8.9 10.8 85 126 A D T <5 + 0 0 30 -4,-2.4 -31,-1.2 1,-0.2 2,-0.3 0.876 60.5 141.5 66.0 39.3 87.1 5.9 13.2 86 127 A L E < -EG 53 81B 2 -5,-1.2 -5,-2.7 -33,-0.3 2,-0.3 -0.842 28.5-176.2-112.0 148.2 89.6 4.0 11.1 87 128 A A E -EG 52 80B 0 -35,-2.1 -35,-2.3 -2,-0.3 2,-0.5 -0.987 15.3-143.8-141.7 150.1 92.5 1.9 12.2 88 129 A V E -EG 51 79B 2 -9,-2.8 -10,-2.4 -2,-0.3 -9,-1.3 -0.979 17.2-173.6-121.0 126.3 95.2 0.2 10.4 89 130 A L E -EG 50 77B 0 -39,-3.1 -39,-3.1 -2,-0.5 2,-0.3 -0.655 8.0-153.8-108.5 167.4 96.6 -3.2 11.5 90 131 A K E -EG 49 76B 59 -14,-1.5 -14,-2.8 -41,-0.3 2,-0.3 -0.948 6.1-169.4-149.4 124.0 99.5 -5.2 10.2 91 132 A I - 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