==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-10 3LGW . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 187 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 60.4 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 . 65 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 1 0 0 0 0 0 1 0 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 . 0 2 2 4 2 1 1 0 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 . 0 0 0 0 0 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 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 39 A S 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.5 -7.6 55.5 -18.0 2 40 A T + 0 0 151 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.799 360.0 44.6 -52.4 -31.8 -11.2 55.6 -19.1 3 41 A D S S+ 0 0 96 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.922 103.5 70.9 -80.4 -46.1 -10.3 53.4 -22.1 4 42 A E S S- 0 0 142 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.006 78.4-115.2 -74.2 173.5 -8.1 50.8 -20.6 5 43 A T - 0 0 129 3,-0.0 -1,-0.1 1,-0.0 3,-0.1 -0.925 25.0-116.3-115.7 135.4 -8.9 47.9 -18.2 6 44 A P - 0 0 114 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.333 34.1-105.7 -63.7 145.1 -7.8 47.5 -14.6 7 45 A A + 0 0 107 2,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.554 60.4 157.9 -68.3 135.3 -5.5 44.6 -13.7 8 46 A S - 0 0 79 -2,-0.2 3,-0.2 -3,-0.1 -3,-0.0 -0.995 52.5-149.2-163.4 151.4 -7.8 42.2 -11.8 9 47 A Y > + 0 0 104 -2,-0.3 4,-1.0 1,-0.1 3,-0.3 -0.102 64.3 118.0-117.1 31.6 -8.4 38.6 -10.8 10 48 A N H > + 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.722 66.2 66.4 -70.2 -22.6 -12.2 39.0 -10.9 11 49 A L H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 102.6 45.4 -61.7 -46.8 -12.3 36.3 -13.6 12 50 A A H > S+ 0 0 0 140,-0.3 4,-1.7 -3,-0.3 5,-0.4 0.770 112.2 54.3 -68.4 -26.1 -11.1 33.7 -11.1 13 51 A V H X S+ 0 0 32 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.914 106.6 48.9 -72.5 -44.5 -13.6 35.1 -8.6 14 52 A R H < S+ 0 0 148 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 117.0 43.0 -64.8 -35.3 -16.6 34.7 -10.9 15 53 A R H < S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.868 128.0 25.0 -77.5 -38.6 -15.6 31.1 -11.8 16 54 A A H >< S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 4,-0.4 0.848 106.8 69.3 -99.7 -43.9 -14.7 29.9 -8.3 17 55 A A G >< S+ 0 0 6 -4,-2.1 3,-1.3 -5,-0.4 47,-0.2 0.782 89.8 63.2 -51.7 -36.5 -16.6 32.1 -5.8 18 56 A P G 3 S+ 0 0 54 0, 0.0 46,-0.5 0, 0.0 -1,-0.3 0.813 101.7 54.2 -61.5 -22.4 -20.1 30.7 -6.6 19 57 A A G < S+ 0 0 1 -3,-1.7 20,-2.6 76,-0.2 2,-0.6 0.560 88.5 89.7 -87.3 -9.2 -18.9 27.3 -5.4 20 58 A V E < -A 38 0A 0 -3,-1.3 18,-0.2 -4,-0.4 2,-0.2 -0.814 62.1-171.7 -97.4 124.0 -17.8 28.5 -2.0 21 59 A V E -A 37 0A 0 16,-1.8 16,-1.4 -2,-0.6 94,-0.3 -0.632 24.9-111.6-115.6 163.7 -20.5 28.3 0.7 22 60 A N E -AB 36 62A 7 40,-2.1 40,-2.0 -2,-0.2 2,-0.4 -0.668 28.1-149.1 -88.0 149.9 -21.2 29.4 4.2 23 61 A V E +AB 35 61A 0 12,-2.6 11,-2.1 92,-0.3 12,-1.7 -0.991 19.3 179.7-127.0 129.3 -21.5 26.7 6.9 24 62 A Y E -AB 33 60A 70 36,-3.1 36,-2.0 -2,-0.4 2,-0.4 -0.779 23.2-138.6-125.4 162.2 -23.8 27.1 9.9 25 63 A N E -AB 32 59A 0 7,-2.3 7,-2.2 -2,-0.3 2,-0.4 -0.974 9.8-160.9-118.8 141.5 -24.9 25.3 13.1 26 64 A R E +A 31 0A 135 32,-1.9 5,-0.2 -2,-0.4 2,-0.1 -0.697 23.3 168.4-124.2 80.0 -28.5 25.4 14.2 27 65 A G 0 0 3 3,-0.8 -2,-0.0 -2,-0.4 29,-0.0 -0.269 360.0 360.0 -84.8 171.7 -28.7 24.4 17.9 28 66 A L 0 0 208 -2,-0.1 -2,-0.0 3,-0.0 3,-0.0 -0.972 360.0 360.0-169.8 360.0 -31.5 24.7 20.4 29 ! 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 30 75 A E 0 0 130 0, 0.0 -3,-0.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 134.0 -29.5 29.5 18.2 31 76 A I E -A 26 0A 113 -5,-0.2 2,-0.3 -7,-0.0 -5,-0.2 -0.968 360.0-177.6-119.7 115.3 -27.9 30.0 14.7 32 77 A R E -A 25 0A 111 -7,-2.2 -7,-2.3 -2,-0.5 2,-0.6 -0.840 28.0-122.4-113.8 146.9 -24.1 30.2 14.8 33 78 A T E +A 24 0A 87 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.798 29.1 176.3 -88.7 119.9 -21.6 30.7 11.9 34 79 A L E - 0 0 38 -11,-2.1 2,-0.3 -2,-0.6 -10,-0.2 0.923 45.6 -87.4 -88.0 -54.0 -19.2 27.8 11.8 35 80 A G E -A 23 0A 3 -12,-1.7 -12,-2.6 80,-0.1 -1,-0.3 -0.936 49.3 -51.5 173.9-152.1 -17.0 28.6 8.7 36 81 A S E -A 22 0A 0 109,-1.8 13,-0.4 -2,-0.3 2,-0.3 -0.538 40.3-175.6-110.2 176.8 -16.7 28.2 5.0 37 82 A G E -A 21 0A 0 -16,-1.4 -16,-1.8 -2,-0.2 2,-0.4 -0.973 18.8-124.3-164.8 171.7 -16.9 25.2 2.6 38 83 A V E -AC 20 47A 0 9,-2.3 9,-2.4 -2,-0.3 2,-0.6 -0.977 14.2-136.6-136.0 121.6 -16.5 24.1 -1.0 39 84 A I E - C 0 46A 0 -20,-2.6 57,-2.7 -2,-0.4 7,-0.2 -0.651 24.2-178.5 -74.8 116.5 -19.0 22.4 -3.3 40 85 A M - 0 0 12 5,-2.2 2,-0.3 -2,-0.6 -1,-0.2 0.853 54.2 -2.1 -89.6 -39.4 -16.9 19.7 -5.1 41 86 A D S > S- 0 0 35 4,-0.9 3,-0.9 53,-0.1 -1,-0.1 -0.874 70.1 -97.0-148.2 177.3 -19.3 18.0 -7.5 42 87 A Q T 3 S+ 0 0 101 -2,-0.3 47,-0.1 1,-0.2 50,-0.1 0.694 109.7 74.2 -75.1 -21.5 -22.9 17.7 -8.7 43 88 A R T 3 S- 0 0 128 1,-0.1 46,-0.4 45,-0.1 -1,-0.2 0.798 117.1-109.5 -60.8 -26.7 -23.7 14.8 -6.5 44 89 A G < + 0 0 0 -3,-0.9 43,-0.9 1,-0.3 2,-0.2 0.602 63.9 153.1 108.5 18.3 -23.8 17.5 -3.8 45 90 A Y E - D 0 86A 38 41,-0.2 -5,-2.2 -4,-0.0 -4,-0.9 -0.565 21.6-167.3 -81.4 143.4 -20.6 16.7 -1.8 46 91 A I E -CD 39 85A 1 39,-2.5 39,-2.8 -7,-0.2 2,-0.4 -0.980 11.1-144.8-133.5 142.8 -18.9 19.5 0.1 47 92 A I E +CD 38 84A 1 -9,-2.4 -9,-2.3 -2,-0.4 2,-0.3 -0.854 30.4 146.8-107.9 141.6 -15.5 19.8 1.7 48 93 A T E - D 0 83A 0 35,-2.2 35,-1.5 -2,-0.4 2,-0.2 -0.931 51.1 -72.1-155.9 175.0 -14.8 21.8 4.9 49 94 A N E >> - D 0 82A 0 -13,-0.4 4,-1.0 -2,-0.3 3,-0.8 -0.560 33.3-133.4 -76.9 143.8 -12.5 21.7 8.0 50 95 A K T 34 S+ 0 0 45 31,-0.7 3,-0.3 1,-0.2 4,-0.3 0.847 107.2 57.8 -63.0 -34.7 -13.3 19.1 10.6 51 96 A H T 34 S+ 0 0 84 30,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.718 99.4 59.7 -70.1 -21.6 -13.0 21.7 13.4 52 97 A V T <4 S+ 0 0 7 -3,-0.8 -1,-0.2 1,-0.2 3,-0.2 0.866 117.6 29.3 -71.0 -36.8 -15.8 23.7 11.7 53 98 A I S >< S+ 0 0 10 -4,-1.0 3,-0.8 -3,-0.3 -2,-0.2 0.208 87.7 109.5-109.6 13.1 -18.2 20.9 12.0 54 99 A N T 3 S+ 0 0 92 -4,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.856 91.4 25.7 -61.8 -37.7 -16.8 19.3 15.2 55 100 A D T 3 S+ 0 0 121 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.3 -0.578 83.5 142.9-127.7 70.2 -19.7 20.4 17.3 56 101 A A < - 0 0 26 -3,-0.8 3,-0.2 -2,-0.2 -31,-0.1 -0.941 28.5-175.8-115.7 116.7 -22.7 20.8 15.0 57 102 A D S S+ 0 0 122 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.936 88.3 5.1 -68.1 -48.2 -26.2 19.8 16.2 58 103 A Q S S- 0 0 60 14,-0.0 -32,-1.9 2,-0.0 2,-0.4 -0.978 78.2-143.2-141.0 124.4 -27.6 20.6 12.8 59 104 A I E -BE 25 71A 17 12,-0.5 12,-2.1 -2,-0.4 2,-0.4 -0.749 17.9-175.6 -95.7 131.4 -25.5 21.6 9.8 60 105 A I E -BE 24 70A 19 -36,-2.0 -36,-3.1 -2,-0.4 2,-0.4 -0.967 8.9-157.5-126.2 141.0 -26.7 24.2 7.3 61 106 A V E -BE 23 69A 1 8,-2.9 8,-2.0 -2,-0.4 2,-0.5 -0.957 4.6-162.9-122.5 137.6 -25.1 25.3 4.1 62 107 A A E -BE 22 68A 20 -40,-2.0 -40,-2.1 -2,-0.4 6,-0.2 -0.929 6.0-153.1-130.2 110.2 -25.8 28.7 2.3 63 108 A L > - 0 0 11 4,-1.9 3,-0.8 -2,-0.5 -42,-0.1 -0.238 26.4-117.8 -75.4 166.1 -24.9 29.4 -1.3 64 109 A Q T 3 S+ 0 0 90 -46,-0.5 -1,-0.1 1,-0.2 -45,-0.1 0.700 111.6 63.9 -76.3 -20.7 -24.1 32.9 -2.7 65 110 A D T 3 S- 0 0 99 -47,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.541 124.4 -98.1 -83.5 -7.1 -27.1 32.7 -5.0 66 111 A G S < S+ 0 0 57 -3,-0.8 -2,-0.1 1,-0.3 2,-0.1 0.290 78.0 134.1 113.7 -7.9 -29.5 32.5 -2.0 67 112 A R - 0 0 71 -5,-0.0 -4,-1.9 1,-0.0 2,-0.4 -0.408 35.5-160.6 -79.3 152.5 -30.2 28.8 -1.6 68 113 A V E +E 62 0A 99 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.928 12.2 175.6-139.7 110.0 -30.0 27.1 1.8 69 114 A F E -E 61 0A 27 -8,-2.0 -8,-2.9 -2,-0.4 2,-0.4 -0.732 30.0-122.6-109.9 158.0 -29.6 23.3 2.3 70 115 A E E -E 60 0A 105 -2,-0.3 18,-0.4 -10,-0.2 2,-0.3 -0.858 32.9-152.5 -93.9 142.4 -29.3 21.1 5.3 71 116 A A E -E 59 0A 2 -12,-2.1 -12,-0.5 -2,-0.4 2,-0.4 -0.879 7.3-148.1-119.7 144.6 -26.1 19.0 5.1 72 117 A L E -F 86 0A 123 14,-2.2 14,-1.8 -2,-0.3 2,-0.6 -0.936 28.8-111.5-113.5 135.8 -25.2 15.6 6.6 73 118 A L E -F 85 0A 82 -2,-0.4 12,-0.3 12,-0.2 3,-0.1 -0.511 26.6-173.4 -68.9 111.9 -21.7 14.7 7.7 74 119 A V E - 0 0 40 10,-2.7 2,-0.2 -2,-0.6 11,-0.2 0.831 60.4 -69.4 -70.7 -34.5 -20.3 12.0 5.3 75 120 A G E -F 84 0A 12 9,-1.2 9,-2.7 113,-0.1 -1,-0.3 -0.846 46.8-125.9 155.7 167.8 -17.2 11.6 7.4 76 121 A S E -F 83 0A 23 -2,-0.2 114,-0.5 7,-0.2 2,-0.3 -0.780 4.3-140.6-135.5 179.0 -14.0 13.4 8.5 77 122 A D E >>> -F 82 0A 28 5,-2.0 5,-1.7 -2,-0.2 4,-1.0 -0.845 7.4-165.2-148.0 103.2 -10.2 13.0 8.7 78 123 A S T 345S+ 0 0 89 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.854 84.7 60.9 -60.3 -39.7 -8.4 14.3 11.8 79 124 A L T 345S+ 0 0 156 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.854 119.1 27.1 -61.2 -37.4 -4.9 14.2 10.3 80 125 A T T <45S- 0 0 13 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.402 103.9-126.4-104.5 -0.7 -5.8 16.7 7.5 81 126 A D T <5 + 0 0 28 -4,-1.0 -31,-0.7 -3,-0.3 -30,-0.2 0.919 62.1 139.9 55.5 44.8 -8.6 18.4 9.4 82 127 A L E < -DF 49 77A 3 -5,-1.7 -5,-2.0 -33,-0.3 2,-0.3 -0.715 31.6-173.3-111.6 168.5 -11.0 17.8 6.6 83 128 A A E -DF 48 76A 0 -35,-1.5 -35,-2.2 -7,-0.2 2,-0.5 -0.939 14.0-143.9-160.3 138.0 -14.7 16.9 6.5 84 129 A V E -DF 47 75A 3 -9,-2.7 -10,-2.7 -2,-0.3 -9,-1.2 -0.930 17.0-170.2-110.6 129.4 -17.1 15.9 3.8 85 130 A L E -DF 46 73A 0 -39,-2.8 -39,-2.5 -2,-0.5 2,-0.4 -0.759 8.9-144.7-111.5 162.3 -20.8 17.0 3.9 86 131 A K E +DF 45 72A 67 -14,-1.8 -14,-2.2 -2,-0.3 2,-0.3 -0.969 18.2 171.0-130.3 142.5 -23.7 15.9 1.6 87 132 A I - 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