==== 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 3LGU . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A..GRANT,R.T.SAUER . 191 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 59.7 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 . 63 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 3 3 2 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 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 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.1 16.5 41.5 18.0 2 40 A T + 0 0 150 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.793 360.0 43.9 -53.9 -30.8 18.4 38.4 19.1 3 41 A D S S+ 0 0 92 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.917 102.8 73.0 -81.1 -47.2 16.1 38.1 22.0 4 42 A E S S- 0 0 139 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.060 78.1-115.9 -74.8 168.3 12.7 38.7 20.5 5 43 A T - 0 0 127 3,-0.0 -1,-0.1 1,-0.0 3,-0.1 -0.902 26.5-118.1-110.1 132.4 10.6 36.5 18.2 6 44 A P - 0 0 115 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.330 35.6-100.7 -64.2 145.2 9.7 37.4 14.6 7 45 A A + 0 0 110 2,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.512 61.8 161.4 -65.3 131.6 6.1 37.9 13.6 8 46 A S - 0 0 82 -2,-0.2 3,-0.2 -3,-0.1 -3,-0.0 -0.997 51.8-153.9-158.2 152.4 5.1 34.6 11.9 9 47 A Y > + 0 0 103 -2,-0.3 4,-1.1 1,-0.1 3,-0.5 -0.051 63.9 117.5-116.4 26.9 2.3 32.4 10.8 10 48 A N H > + 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.745 65.4 66.5 -67.3 -25.7 4.5 29.3 11.0 11 49 A L H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 103.2 45.1 -58.3 -45.9 2.3 27.8 13.7 12 50 A A H > S+ 0 0 0 -3,-0.5 4,-1.6 144,-0.2 5,-0.4 0.788 111.3 54.3 -70.6 -28.3 -0.6 27.5 11.1 13 51 A V H X S+ 0 0 32 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.911 107.7 48.6 -70.4 -43.3 1.9 26.1 8.6 14 52 A R H < S+ 0 0 151 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.875 116.0 44.1 -65.0 -36.6 3.0 23.3 10.9 15 53 A R H < S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.823 128.3 23.9 -76.5 -32.9 -0.6 22.4 11.8 16 54 A A H >X S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.1 4,-0.6 0.824 105.6 70.8-106.6 -40.4 -2.0 22.5 8.3 17 55 A A G >< S+ 0 0 7 -4,-2.2 3,-1.1 -5,-0.4 48,-0.2 0.793 88.6 64.6 -55.3 -36.9 0.8 21.9 5.8 18 56 A P G 34 S+ 0 0 54 0, 0.0 47,-0.5 0, 0.0 -1,-0.3 0.811 102.1 52.3 -58.2 -24.9 1.3 18.2 6.6 19 57 A A G <4 S+ 0 0 1 -3,-1.8 21,-2.2 77,-0.2 2,-0.4 0.647 89.2 89.8 -86.4 -17.4 -2.2 17.6 5.3 20 58 A V E << -A 39 0A 0 -3,-1.1 45,-0.3 -4,-0.6 2,-0.2 -0.690 62.8-173.2 -85.7 132.4 -1.8 19.3 1.9 21 59 A V E -A 38 0A 0 17,-2.1 17,-1.6 -2,-0.4 95,-0.5 -0.730 26.8-109.5-126.0 167.2 -0.5 16.9 -0.7 22 60 A N E -AB 37 63A 6 41,-2.1 41,-2.4 -2,-0.2 2,-0.4 -0.806 28.7-151.7 -95.8 137.6 0.7 16.8 -4.3 23 61 A V E +AB 36 62A 0 13,-2.5 12,-1.9 -2,-0.4 13,-1.8 -0.940 18.8 179.4-114.5 133.6 -1.5 15.1 -6.9 24 62 A Y E -AB 34 61A 58 37,-3.2 37,-1.8 -2,-0.4 2,-0.3 -0.807 23.3-136.9-128.7 164.0 -0.1 13.4 -10.0 25 63 A N E -AB 33 60A 0 8,-2.1 8,-2.0 -2,-0.3 2,-0.3 -0.945 8.6-159.0-119.1 149.0 -1.1 11.5 -13.1 26 64 A R + 0 0 125 33,-1.7 6,-0.2 -2,-0.3 34,-0.1 -0.601 18.5 179.4-130.0 70.3 0.8 8.4 -14.3 27 65 A G 0 0 2 4,-0.4 4,-2.3 -2,-0.3 -2,-0.0 -0.360 360.0 360.0 -73.0 151.1 0.0 8.0 -18.0 28 66 A L 0 0 129 2,-0.2 -1,-0.1 -2,-0.1 30,-0.0 -0.653 360.0 360.0-122.4 360.0 1.5 5.1 -20.0 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 74 A L 0 0 144 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 129.4 6.1 5.9 -18.9 31 75 A E - 0 0 88 -4,-2.3 2,-0.4 2,-0.0 -4,-0.4 -0.979 360.0-164.6-128.2 138.4 5.2 9.5 -18.1 32 76 A I - 0 0 112 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.990 11.8-175.9-123.0 130.5 4.5 11.3 -14.8 33 77 A R E -A 25 0A 107 -8,-2.0 -8,-2.1 -2,-0.4 2,-0.7 -0.920 28.0-121.4-124.7 147.3 2.9 14.7 -14.7 34 78 A T E +A 24 0A 85 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.805 28.2 178.5 -89.9 116.1 2.1 17.1 -11.9 35 79 A L E - 0 0 36 -12,-1.9 2,-0.3 -2,-0.7 -11,-0.2 0.895 45.7 -93.4 -84.7 -44.8 -1.6 17.7 -11.8 36 80 A G E -A 23 0A 4 -13,-1.8 -13,-2.5 80,-0.1 -1,-0.2 -0.952 50.0 -45.1 165.4-144.9 -1.9 20.0 -8.8 37 81 A S E -A 22 0A 0 112,-1.7 13,-0.4 -2,-0.3 2,-0.3 -0.662 40.2-175.7-118.1 172.8 -2.6 20.0 -5.0 38 82 A G E -A 21 0A 0 -17,-1.6 -17,-2.1 -2,-0.2 2,-0.4 -0.962 18.4-127.1-159.0 172.9 -5.0 18.4 -2.6 39 83 A V E -AC 20 48A 0 9,-2.3 9,-2.3 -2,-0.3 2,-0.5 -0.990 15.0-135.8-135.4 127.4 -6.1 18.2 1.0 40 84 A I E - C 0 47A 0 -21,-2.2 57,-2.8 -2,-0.4 7,-0.2 -0.713 23.3-177.6 -80.4 124.0 -6.5 15.2 3.3 41 85 A M - 0 0 11 5,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.866 53.8 -1.9 -95.2 -42.5 -9.8 15.6 5.1 42 86 A D S > S- 0 0 33 4,-0.8 3,-1.1 53,-0.1 -1,-0.2 -0.867 70.5 -96.8-145.8 176.6 -10.1 12.6 7.5 43 87 A Q T 3 S+ 0 0 98 -2,-0.3 50,-0.1 1,-0.3 47,-0.1 0.686 110.0 75.3 -72.9 -19.5 -8.5 9.4 8.7 44 88 A R T 3 S- 0 0 132 1,-0.1 46,-0.3 45,-0.1 -1,-0.3 0.747 116.5-109.5 -63.5 -22.0 -10.7 7.3 6.4 45 89 A G < + 0 0 0 -3,-1.1 43,-1.4 1,-0.3 2,-0.2 0.640 63.8 153.0 104.3 19.7 -8.3 8.5 3.7 46 90 A Y E - D 0 87A 36 41,-0.2 -5,-2.4 -4,-0.1 -4,-0.8 -0.580 21.3-168.2 -83.8 145.4 -10.6 10.9 1.7 47 91 A I E -CD 40 86A 1 39,-2.2 39,-3.0 -7,-0.2 2,-0.3 -0.997 11.6-146.3-138.1 131.5 -9.0 13.8 -0.1 48 92 A I E +CD 39 85A 1 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.2 -0.766 31.6 145.1 -95.2 142.2 -10.5 16.9 -1.8 49 93 A T E - D 0 84A 0 35,-2.1 35,-1.5 -2,-0.3 2,-0.4 -0.801 51.3 -66.7-149.6-166.6 -9.0 18.5 -4.9 50 94 A N E >> - D 0 83A 0 -13,-0.4 4,-1.3 -2,-0.2 3,-1.0 -0.785 30.4-134.0 -96.4 139.2 -10.2 20.3 -8.1 51 95 A K T 34 S+ 0 0 43 31,-0.8 4,-0.4 -2,-0.4 32,-0.1 0.822 109.1 55.1 -54.5 -33.1 -12.2 18.5 -10.7 52 96 A H T 34 S+ 0 0 85 30,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.769 100.9 58.5 -75.5 -25.6 -10.0 20.0 -13.4 53 97 A V T <4 S+ 0 0 8 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 119.6 27.8 -68.0 -37.8 -6.8 18.6 -11.7 54 98 A I S >< S+ 0 0 8 -4,-1.3 3,-1.0 1,-0.1 -1,-0.2 0.245 88.6 110.4-108.8 11.2 -8.1 15.0 -12.0 55 99 A N T 3 S+ 0 0 84 -4,-0.4 -1,-0.1 1,-0.3 2,-0.1 0.856 90.5 24.4 -61.8 -41.0 -10.3 15.4 -15.1 56 100 A D T 3 S+ 0 0 118 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.3 -0.480 86.0 146.6-122.4 61.2 -8.1 13.4 -17.5 57 101 A A < - 0 0 28 -3,-1.0 3,-0.2 1,-0.2 -3,-0.1 -0.876 28.9-176.5-106.3 119.8 -6.2 11.1 -15.2 58 102 A D S S+ 0 0 114 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.923 86.4 4.4 -72.8 -48.7 -5.2 7.6 -16.3 59 103 A Q S S- 0 0 52 14,-0.0 -33,-1.7 2,-0.0 2,-0.5 -0.989 76.1-144.3-139.8 131.8 -3.8 6.8 -12.9 60 104 A I E -BE 25 72A 14 12,-0.6 12,-2.5 -2,-0.4 2,-0.4 -0.843 16.4-175.2-103.7 124.0 -3.9 9.2 -9.9 61 105 A I E -BE 24 71A 17 -37,-1.8 -37,-3.2 -2,-0.5 2,-0.4 -0.919 6.9-160.5-116.8 143.7 -1.0 9.3 -7.4 62 106 A V E -BE 23 70A 0 8,-2.4 8,-2.2 -2,-0.4 2,-0.5 -0.981 3.9-164.0-126.2 135.1 -0.8 11.4 -4.2 63 107 A A E -BE 22 69A 16 -41,-2.4 -41,-2.1 -2,-0.4 6,-0.2 -0.955 6.9-149.9-128.5 117.1 2.3 12.3 -2.4 64 108 A L > - 0 0 10 4,-2.2 3,-1.1 -2,-0.5 -43,-0.1 -0.313 26.5-116.6 -77.7 163.2 2.6 13.6 1.2 65 109 A Q T 3 S+ 0 0 89 -47,-0.5 -1,-0.1 -45,-0.3 -46,-0.1 0.749 112.2 63.5 -69.8 -24.6 5.2 16.0 2.6 66 110 A D T 3 S- 0 0 97 -48,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.447 123.6 -97.7 -85.2 -0.5 6.5 13.3 4.9 67 111 A G S < S+ 0 0 57 -3,-1.1 -2,-0.1 1,-0.3 2,-0.1 0.182 78.2 132.9 112.2 -15.9 7.6 11.1 2.0 68 112 A R - 0 0 70 -5,-0.1 -4,-2.2 1,-0.0 2,-0.4 -0.409 35.4-162.3 -75.5 146.3 4.7 8.6 1.6 69 113 A V E +E 63 0A 97 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.2 -0.959 12.8 172.2-135.5 114.1 3.2 7.9 -1.8 70 114 A F E -E 62 0A 32 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.4 -0.686 32.0-119.2-112.6 166.0 -0.2 6.3 -2.4 71 115 A E E -E 61 0A 99 -2,-0.2 18,-0.4 -10,-0.2 2,-0.3 -0.897 32.2-151.9 -98.8 142.8 -2.4 5.6 -5.4 72 116 A A E -E 60 0A 2 -12,-2.5 -12,-0.6 -2,-0.4 2,-0.4 -0.875 5.3-149.0-116.2 145.9 -5.8 7.3 -5.2 73 117 A L E -F 87 0A 122 14,-2.3 14,-2.0 -2,-0.3 2,-0.7 -0.901 29.1-109.4-111.2 145.5 -9.2 6.3 -6.7 74 118 A L E -F 86 0A 82 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.630 26.7-174.1 -79.9 111.7 -11.8 8.8 -7.7 75 119 A V E - 0 0 39 10,-2.2 2,-0.2 -2,-0.7 11,-0.2 0.844 60.8 -71.7 -68.9 -35.9 -14.8 8.8 -5.3 76 120 A G E -F 85 0A 11 9,-1.3 9,-2.7 116,-0.1 -1,-0.3 -0.860 46.9-123.7 156.1 170.8 -16.7 11.2 -7.5 77 121 A S E -F 84 0A 23 -2,-0.2 117,-0.7 7,-0.2 2,-0.3 -0.789 3.5-140.1-137.5 179.5 -16.8 14.9 -8.5 78 122 A D E >> -F 83 0A 16 5,-2.2 5,-1.8 -2,-0.2 4,-0.7 -0.876 7.6-166.2-148.8 107.3 -18.9 18.0 -8.7 79 123 A S T 45S+ 0 0 89 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.826 83.7 60.2 -69.3 -34.9 -18.7 20.3 -11.7 80 124 A L T 45S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.908 119.0 28.1 -62.4 -43.7 -20.5 23.3 -10.3 81 125 A T T 45S- 0 0 8 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.406 104.3-126.5 -98.0 0.3 -18.0 23.8 -7.5 82 126 A D T <5 + 0 0 30 -4,-0.7 -31,-0.8 1,-0.2 -30,-0.3 0.893 62.1 140.7 55.2 41.5 -15.1 22.3 -9.4 83 127 A L E < -DF 50 78A 2 -5,-1.8 -5,-2.2 -33,-0.3 2,-0.3 -0.714 31.5-172.2-109.5 165.2 -14.4 19.8 -6.5 84 128 A A E -DF 49 77A 0 -35,-1.5 -35,-2.1 -2,-0.2 2,-0.5 -0.961 14.0-143.4-156.5 137.4 -13.4 16.2 -6.5 85 129 A V E -DF 48 76A 2 -9,-2.7 -10,-2.2 -2,-0.3 -9,-1.3 -0.913 18.3-173.1-109.1 129.3 -13.0 13.5 -3.8 86 130 A L E -DF 47 74A 0 -39,-3.0 -39,-2.2 -2,-0.5 2,-0.4 -0.731 9.5-146.1-112.7 165.4 -10.3 10.9 -3.9 87 131 A K E +DF 46 73A 66 -14,-2.0 -14,-2.3 -2,-0.3 2,-0.3 -0.997 17.0 172.2-137.3 137.9 -9.7 7.9 -1.7 88 132 A I - 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