==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE ACTIVATOR 24-FEB-09 3GDV . COMPND 2 MOLECULE: DEGS PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 883 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 66.3 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 . 296 33.5 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 . 10 1.1 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-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 . 76 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 3 1 0 2 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 . 7 10 11 8 13 3 0 3 2 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 . 3 1 0 0 1 7 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 38 A D > 0 0 123 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 85.5 30.8 71.6 2.0 2 39 A S G > + 0 0 19 1,-0.2 3,-2.3 2,-0.1 473,-0.1 0.527 360.0 104.2 -71.6 -4.7 29.5 68.2 1.0 3 40 A T G 3 S+ 0 0 83 1,-0.3 -1,-0.2 3,-0.0 405,-0.0 0.720 82.4 41.2 -51.8 -27.2 32.7 68.0 -1.1 4 41 A D G < S+ 0 0 153 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.1 0.401 99.6 92.7-105.3 1.2 34.4 65.6 1.4 5 42 A E S < S- 0 0 69 -3,-2.3 468,-0.1 -4,-0.1 -3,-0.0 -0.328 73.3-116.4 -89.9 175.8 31.3 63.4 2.1 6 43 A T - 0 0 121 -2,-0.1 2,-0.1 466,-0.1 3,-0.1 -0.957 20.8-130.2-122.1 123.4 30.2 60.1 0.5 7 44 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 464,-0.0 -0.439 31.8-104.0 -70.9 139.1 27.0 59.7 -1.5 8 45 A A + 0 0 33 -2,-0.1 410,-2.0 410,-0.1 2,-0.3 -0.402 58.6 165.7 -57.5 135.8 24.7 56.7 -0.7 9 46 A S B -A 417 0A 48 408,-0.3 408,-0.3 -2,-0.1 407,-0.1 -0.993 51.3-159.5-157.1 156.9 25.3 54.2 -3.5 10 47 A Y > + 0 0 27 406,-1.2 4,-1.8 -2,-0.3 3,-0.4 0.039 61.6 119.0-122.6 18.6 24.9 50.6 -4.8 11 48 A N H > + 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.829 68.5 62.0 -53.5 -35.6 27.7 51.0 -7.3 12 49 A L H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 104.0 47.4 -57.3 -50.5 29.5 48.2 -5.5 13 50 A A H > S+ 0 0 0 -3,-0.4 4,-2.1 155,-0.3 5,-0.4 0.912 111.7 51.5 -55.4 -46.0 26.7 45.8 -6.3 14 51 A V H X S+ 0 0 13 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.925 108.3 50.4 -59.5 -46.6 26.7 47.0 -9.9 15 52 A R H < S+ 0 0 156 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.2 43.9 -61.9 -39.5 30.5 46.5 -10.4 16 53 A R H < S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 128.8 21.9 -71.1 -40.8 30.4 43.0 -9.1 17 54 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.2 4,-0.4 0.810 105.1 72.0-103.7 -35.8 27.4 41.7 -10.9 18 55 A A G >< S+ 0 0 4 -4,-2.4 3,-1.7 -5,-0.4 51,-0.2 0.840 90.1 60.6 -60.0 -40.7 26.6 43.8 -14.0 19 56 A P G 3 S+ 0 0 51 0, 0.0 50,-0.5 0, 0.0 -1,-0.3 0.799 104.1 54.4 -55.5 -26.1 29.5 42.6 -16.1 20 57 A A G < S+ 0 0 0 -3,-1.5 24,-2.5 80,-0.2 2,-0.5 0.536 88.3 89.1 -88.3 -11.1 28.0 39.1 -15.9 21 58 A V E < -B 43 0B 0 -3,-1.7 48,-0.4 -4,-0.4 2,-0.2 -0.793 64.5-167.3 -89.8 129.3 24.5 40.1 -17.1 22 59 A V E -B 42 0B 0 20,-3.4 20,-1.6 -2,-0.5 2,-0.5 -0.722 24.7-111.9-118.1 161.1 24.2 39.8 -20.9 23 60 A N E -BC 41 67B 20 44,-2.3 44,-2.5 -2,-0.2 2,-0.5 -0.810 30.7-154.5 -87.9 129.0 21.9 40.8 -23.7 24 61 A V E -BC 40 66B 0 16,-2.9 16,-2.4 -2,-0.5 2,-0.5 -0.922 6.8-164.9-108.4 126.6 20.2 37.9 -25.4 25 62 A Y E -BC 39 65B 38 40,-3.1 40,-2.5 -2,-0.5 2,-0.7 -0.939 7.2-153.9-116.3 122.3 19.0 38.2 -29.0 26 63 A N E -BC 38 64B 0 12,-2.1 11,-3.6 -2,-0.5 12,-1.2 -0.830 16.1-164.2 -95.7 113.0 16.5 35.7 -30.6 27 64 A R E -BC 36 63B 30 36,-3.3 35,-2.5 -2,-0.7 36,-1.6 -0.752 7.4-172.1 -99.9 143.8 16.9 35.5 -34.4 28 65 A G E -B 35 0B 1 7,-1.8 7,-0.6 -2,-0.3 2,-0.1 -0.986 19.0-132.2-137.0 126.9 14.4 34.0 -36.8 29 66 A L 0 0 101 -2,-0.4 5,-0.1 5,-0.1 34,-0.0 -0.442 360.0 360.0 -73.6 146.9 14.9 33.4 -40.5 30 67 A N 0 0 117 3,-0.4 -1,-0.1 -2,-0.1 4,-0.1 0.118 360.0 360.0-151.1 360.0 12.2 34.5 -42.9 31 ! 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 32 72 A N 0 0 172 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -13.3 17.6 34.1 -45.2 33 73 A Q - 0 0 133 -5,-0.1 -3,-0.4 2,-0.0 2,-0.4 -0.885 360.0-121.0-108.6 134.4 18.2 37.1 -43.0 34 74 A L - 0 0 103 -2,-0.4 2,-0.4 -5,-0.1 -5,-0.1 -0.587 35.8-176.5 -70.0 124.1 18.6 37.0 -39.2 35 75 A E E -B 28 0B 78 -7,-0.6 -7,-1.8 -2,-0.4 2,-0.4 -0.992 32.0-114.4-128.3 128.8 15.8 39.2 -37.7 36 76 A I E +B 27 0B 83 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.450 36.7 170.7 -59.0 115.0 15.4 39.9 -34.0 37 77 A R E - 0 0 154 -11,-3.6 2,-0.3 -2,-0.4 -1,-0.2 0.676 69.8 -8.7 -97.8 -26.0 12.1 38.2 -33.0 38 78 A T E -B 26 0B 52 -12,-1.2 -12,-2.1 -3,-0.1 -1,-0.4 -0.953 62.0-159.2-156.1 169.1 12.7 38.8 -29.3 39 79 A L E +B 25 0B 36 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.976 21.2 140.5-155.3 152.1 15.3 40.0 -26.9 40 80 A G E -B 24 0B 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.3 -0.752 40.9 -79.5-160.1-154.3 16.0 39.7 -23.2 41 81 A S E -B 23 0B 0 120,-3.4 13,-0.4 -18,-0.3 2,-0.3 -0.790 28.1-167.1-125.8 169.2 18.8 39.2 -20.7 42 82 A G E -B 22 0B 0 -20,-1.6 -20,-3.4 -2,-0.3 2,-0.5 -0.987 14.8-133.0-153.8 157.2 20.9 36.4 -19.3 43 83 A V E -BD 21 52B 0 9,-2.0 9,-2.2 -2,-0.3 2,-0.7 -0.954 16.6-132.7-118.1 128.3 23.3 35.7 -16.4 44 84 A I E + D 0 51B 0 -24,-2.5 57,-2.6 -2,-0.5 7,-0.2 -0.684 26.7 178.5 -75.6 116.4 26.7 34.0 -16.6 45 85 A M + 0 0 14 5,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.913 57.4 7.7 -86.6 -48.7 26.7 31.4 -13.9 46 86 A D S > S- 0 0 31 4,-0.8 3,-1.4 54,-0.1 4,-0.3 -0.826 75.6-100.3-134.7 172.1 30.1 29.7 -14.2 47 87 A Q T 3 S+ 0 0 120 1,-0.3 50,-0.1 -2,-0.3 -1,-0.0 0.740 109.1 75.3 -64.7 -25.4 33.4 29.9 -16.1 48 88 A R T 3 S- 0 0 135 1,-0.1 46,-0.3 2,-0.1 -1,-0.3 0.797 114.8-107.7 -56.0 -30.5 32.3 27.2 -18.5 49 89 A G < + 0 0 0 -3,-1.4 43,-1.3 1,-0.3 2,-0.5 0.665 63.6 156.0 103.5 24.7 30.1 29.7 -20.3 50 90 A Y E - E 0 91B 39 -4,-0.3 -5,-2.2 41,-0.2 -4,-0.8 -0.753 22.3-166.2 -84.7 124.8 26.8 28.4 -19.1 51 91 A I E -DE 44 90B 0 39,-2.7 39,-2.8 -2,-0.5 2,-0.4 -0.909 12.5-143.4-117.6 138.7 24.1 31.1 -19.1 52 92 A I E +DE 43 89B 3 -9,-2.2 -9,-2.0 -2,-0.4 2,-0.3 -0.835 33.2 145.6 -98.3 136.0 20.6 31.3 -17.5 53 93 A T E - E 0 88B 0 35,-2.3 35,-2.4 -2,-0.4 2,-0.3 -0.864 49.6 -79.0-148.1-178.0 17.7 32.9 -19.3 54 94 A N E > - E 0 87B 0 -13,-0.4 4,-0.9 -2,-0.3 3,-0.5 -0.686 28.2-134.0 -90.3 146.7 14.0 32.5 -19.7 55 95 A K H >> S+ 0 0 33 31,-0.9 4,-1.4 -2,-0.3 3,-1.1 0.940 105.1 58.8 -61.5 -48.3 12.5 30.0 -22.0 56 96 A H H 34 S+ 0 0 64 1,-0.3 -1,-0.2 2,-0.2 31,-0.1 0.754 101.7 58.0 -56.2 -24.7 9.9 32.4 -23.5 57 97 A V H 34 S+ 0 0 1 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.868 116.3 31.3 -70.4 -38.8 12.9 34.6 -24.6 58 98 A I H X< S+ 0 0 7 -3,-1.1 3,-1.7 -4,-0.9 -2,-0.2 0.382 84.5 137.1-105.7 2.8 14.5 31.8 -26.7 59 99 A N T 3< S- 0 0 65 -4,-1.4 -3,-0.0 1,-0.3 -5,-0.0 -0.258 81.6 -4.6 -51.7 127.7 11.4 30.0 -27.8 60 100 A D T 3 S+ 0 0 141 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.774 88.7 166.8 59.9 30.1 11.6 29.0 -31.5 61 101 A A < - 0 0 28 -3,-1.7 -1,-0.2 1,-0.2 -33,-0.2 -0.652 29.5-165.2 -79.6 125.8 14.9 30.8 -32.0 62 102 A D S S+ 0 0 100 -35,-2.5 2,-0.3 -2,-0.5 -34,-0.2 0.790 84.2 9.4 -75.9 -30.0 16.6 30.0 -35.3 63 103 A Q E -C 27 0B 50 -36,-1.6 -36,-3.3 -3,-0.1 2,-0.6 -0.962 68.2-151.1-152.0 136.2 19.7 31.6 -33.9 64 104 A I E -CF 26 76B 11 12,-0.6 12,-2.6 -2,-0.3 2,-0.4 -0.912 13.3-169.3-112.1 112.1 20.6 32.8 -30.4 65 105 A I E -CF 25 75B 25 -40,-2.5 -40,-3.1 -2,-0.6 2,-0.4 -0.797 3.0-162.1 -98.9 141.7 23.1 35.7 -30.1 66 106 A V E -CF 24 74B 0 8,-2.8 8,-3.0 -2,-0.4 2,-0.4 -0.989 3.0-164.8-126.3 130.6 24.6 36.7 -26.8 67 107 A A E -CF 23 73B 16 -44,-2.5 -44,-2.3 -2,-0.4 2,-0.3 -0.948 6.2-150.3-120.5 131.5 26.3 40.1 -26.1 68 108 A L > - 0 0 11 4,-2.7 3,-1.7 -2,-0.4 -46,-0.1 -0.661 25.8-120.2 -97.2 152.9 28.6 41.0 -23.2 69 109 A Q T 3 S+ 0 0 73 -50,-0.5 -1,-0.1 -48,-0.4 -49,-0.1 0.798 112.9 63.2 -56.6 -29.2 29.0 44.4 -21.6 70 110 A D T 3 S- 0 0 94 -51,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.644 122.9-102.1 -75.5 -13.0 32.7 44.2 -22.5 71 111 A G S < S+ 0 0 55 -3,-1.7 -2,-0.1 1,-0.4 -1,-0.1 0.078 76.7 132.9 119.4 -22.8 31.9 44.1 -26.2 72 112 A R - 0 0 74 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.334 37.2-160.0 -66.6 140.9 32.3 40.4 -27.1 73 113 A V E +F 67 0B 95 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.986 12.0 178.3-127.4 129.8 29.5 38.8 -29.1 74 114 A F E -F 66 0B 37 -8,-3.0 -8,-2.8 -2,-0.4 2,-0.7 -0.837 31.9-124.0-125.8 159.6 28.8 35.0 -29.3 75 115 A E E -F 65 0B 129 -2,-0.3 18,-0.3 -10,-0.2 -10,-0.2 -0.939 37.5-150.0-101.8 115.2 26.4 32.6 -30.9 76 116 A A E -F 64 0B 6 -12,-2.6 -12,-0.6 -2,-0.7 2,-0.4 -0.513 3.8-143.3 -88.9 151.8 24.9 30.6 -28.1 77 117 A L E -G 91 0B 129 14,-2.5 14,-2.0 -2,-0.2 2,-0.8 -0.913 23.9-114.4-112.3 141.2 23.7 27.0 -28.2 78 118 A L E -G 90 0B 66 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.642 28.5-179.6 -81.1 109.1 20.6 25.8 -26.3 79 119 A V E - 0 0 42 10,-1.9 2,-0.3 -2,-0.8 -1,-0.2 0.945 64.5 -45.9 -65.6 -52.2 21.6 23.2 -23.6 80 120 A G E -G 89 0B 7 9,-1.0 9,-2.8 2,-0.0 2,-0.3 -0.968 47.9-141.4-175.6 163.9 18.0 22.8 -22.5 81 121 A S E -G 88 0B 41 130,-0.3 2,-0.6 -2,-0.3 7,-0.2 -0.999 6.0-149.9-142.6 143.2 14.7 24.5 -21.5 82 122 A D E >> -G 87 0B 13 5,-3.2 5,-1.2 -2,-0.3 4,-1.1 -0.931 1.7-163.1-118.7 110.5 12.1 23.8 -18.8 83 123 A S T 45S+ 0 0 92 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.870 86.4 55.6 -55.7 -42.8 8.5 24.9 -19.6 84 124 A L T 45S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.946 117.8 29.1 -61.2 -54.6 7.3 24.8 -16.0 85 125 A T T 45S- 0 0 9 2,-0.1 -1,-0.2 115,-0.0 -2,-0.2 0.481 102.7-125.3 -87.3 -3.6 9.8 27.2 -14.4 86 126 A D T <5 + 0 0 31 -4,-1.1 -31,-0.9 1,-0.2 2,-0.3 0.842 63.6 138.8 60.7 36.2 10.3 29.2 -17.6 87 127 A L E < -EG 54 82B 4 -5,-1.2 -5,-3.2 -33,-0.3 2,-0.3 -0.823 29.7-179.0-112.2 152.7 14.1 28.6 -17.5 88 128 A A E -EG 53 81B 0 -35,-2.4 -35,-2.3 -2,-0.3 2,-0.4 -0.992 16.5-140.4-146.3 148.2 16.6 27.9 -20.2 89 129 A V E -EG 52 80B 2 -9,-2.8 -10,-1.9 -2,-0.3 -9,-1.0 -0.926 16.0-165.7-115.6 137.3 20.3 27.2 -20.3 90 130 A L E -EG 51 78B 0 -39,-2.8 -39,-2.7 -2,-0.4 2,-0.4 -0.853 6.1-152.7-119.2 154.7 22.7 28.5 -22.9 91 131 A K E -EG 50 77B 53 -14,-2.0 -14,-2.5 -2,-0.3 2,-0.4 -0.995 10.5-178.0-128.9 131.1 26.3 27.6 -23.8 92 132 A I - 0 0 0 -43,-1.3 2,-1.2 -2,-0.4 -16,-0.1 -0.993 27.1-131.7-125.9 136.7 28.9 29.8 -25.5 93 133 A N - 0 0 137 -2,-0.4 2,-0.2 -18,-0.3 -18,-0.1 -0.719 40.3-178.9 -87.1 96.3 32.4 28.8 -26.4 94 134 A A - 0 0 33 -2,-1.2 2,-0.4 -46,-0.3 3,-0.1 -0.650 20.4-145.9-103.8 154.3 34.5 31.7 -25.0 95 135 A T S S+ 0 0 122 -2,-0.2 -2,-0.0 2,-0.2 0, 0.0 -0.927 80.5 18.2-117.0 139.9 38.2 32.5 -25.0 96 136 A G S S- 0 0 86 -2,-0.4 -1,-0.1 2,-0.0 2,-0.0 0.500 116.2 -89.9 82.5 3.7 40.1 34.2 -22.2 97 137 A G - 0 0 25 -3,-0.1 -2,-0.2 -50,-0.1 -49,-0.1 -0.172 43.8-101.3 85.0-178.7 37.4 33.4 -19.8 98 138 A L - 0 0 14 -4,-0.1 2,-0.2 -2,-0.0 -78,-0.1 -0.956 23.7-103.6-142.5 154.3 34.2 35.3 -18.7 99 139 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -53,-0.1 -0.546 42.7-156.0 -71.7 149.9 32.8 37.5 -15.9 100 140 A T - 0 0 50 -2,-0.2 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