==== 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 3LGY . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 179 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 63.1 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 . 64 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 . 12 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.2 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 1 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 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 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.5 -8.9 -14.3 -12.2 2 40 A T + 0 0 145 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.791 360.0 49.6 -67.5 -28.2 -6.4 -17.1 -12.9 3 41 A D S S+ 0 0 96 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.941 101.3 72.0 -73.7 -50.1 -5.3 -15.4 -16.1 4 42 A E S S- 0 0 141 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.220 82.0-123.5 -68.8 156.5 -4.7 -12.0 -14.5 5 43 A T - 0 0 128 3,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.846 20.0-119.1-106.9 137.6 -1.8 -11.3 -12.1 6 44 A P - 0 0 111 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.595 35.5-104.8 -76.4 129.5 -2.2 -10.0 -8.5 7 45 A A + 0 0 108 -2,-0.3 2,-0.3 2,-0.1 0, 0.0 -0.272 59.4 158.7 -48.3 130.8 -0.5 -6.7 -7.8 8 46 A S - 0 0 83 -3,-0.0 3,-0.1 1,-0.0 -1,-0.0 -0.979 51.9-142.6-155.9 162.7 2.6 -7.5 -5.8 9 47 A Y > + 0 0 101 -2,-0.3 4,-1.3 1,-0.1 3,-0.2 -0.058 64.3 120.8-117.0 29.0 6.0 -6.2 -4.8 10 48 A N H > + 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.851 64.1 62.9 -62.8 -38.9 7.6 -9.6 -5.0 11 49 A L H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 103.6 48.9 -53.7 -48.5 10.2 -8.6 -7.6 12 50 A A H > S+ 0 0 0 137,-0.3 4,-2.2 -3,-0.2 5,-0.4 0.892 109.1 54.4 -58.4 -41.5 11.7 -6.2 -5.2 13 51 A V H X S+ 0 0 34 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.904 107.3 47.8 -61.8 -45.3 11.8 -8.9 -2.5 14 52 A R H < S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.8 49.9 -65.1 -35.5 13.7 -11.4 -4.6 15 53 A R H < S+ 0 0 133 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.889 127.0 19.6 -68.9 -41.0 16.2 -8.7 -5.6 16 54 A A H >X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.1 3,-0.8 0.752 105.4 77.0-107.6 -29.8 17.0 -7.4 -2.1 17 55 A A G >< S+ 0 0 8 -4,-2.7 3,-0.7 -5,-0.4 46,-0.2 0.843 90.3 57.3 -53.4 -42.4 15.9 -10.1 0.4 18 56 A P G 34 S+ 0 0 49 0, 0.0 45,-0.6 0, 0.0 -1,-0.2 0.881 104.0 55.1 -58.9 -34.0 19.0 -12.3 -0.2 19 57 A A G <4 S+ 0 0 1 -3,-0.8 19,-1.7 75,-0.2 2,-0.3 0.760 91.8 84.4 -67.7 -28.3 21.3 -9.4 0.8 20 58 A V E << -A 37 0A 0 -4,-0.9 2,-0.3 -3,-0.7 43,-0.3 -0.630 64.9-174.5 -82.7 133.7 19.5 -9.0 4.2 21 59 A V E -A 36 0A 0 15,-2.3 15,-1.5 -2,-0.3 2,-0.4 -0.773 27.1-109.9-123.9 165.6 20.9 -11.3 6.9 22 60 A N E -AB 35 61A 19 39,-2.3 39,-2.3 -2,-0.3 2,-0.4 -0.791 30.0-148.2 -91.6 140.2 20.2 -12.3 10.5 23 61 A V E +AB 34 60A 0 11,-2.8 10,-2.0 -2,-0.4 11,-1.5 -0.878 21.2 178.7-111.1 144.5 22.7 -11.2 13.1 24 62 A Y E -AB 32 59A 61 35,-2.5 35,-1.8 -2,-0.4 2,-0.3 -0.862 24.5-131.6-141.4 168.0 23.5 -13.2 16.2 25 63 A N E AB 31 58A 13 6,-2.6 6,-1.7 -2,-0.3 33,-0.2 -0.891 360.0 360.0-119.9 154.4 25.5 -13.5 19.4 26 64 A R 0 0 126 31,-1.1 4,-0.2 -2,-0.3 3,-0.1 -0.419 360.0 360.0-132.5 360.0 27.4 -16.6 20.6 27 ! 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 28 74 A L 0 0 201 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 150.5 27.5 -22.5 24.6 29 75 A E - 0 0 126 -3,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.992 360.0-176.1-126.8 133.6 25.0 -19.7 24.3 30 76 A I + 0 0 117 -2,-0.4 2,-0.3 -4,-0.2 -4,-0.2 -0.993 7.2 174.8-131.1 128.2 23.4 -18.4 21.1 31 77 A R E -A 25 0A 35 -6,-1.7 -6,-2.6 -2,-0.4 2,-0.5 -0.907 31.9-116.1-129.0 155.9 21.1 -15.3 21.0 32 78 A T E +A 24 0A 95 -2,-0.3 -8,-0.2 -8,-0.2 -2,-0.0 -0.833 30.9 174.3 -94.9 125.0 19.4 -13.4 18.2 33 79 A L E - 0 0 50 -10,-2.0 2,-0.3 -2,-0.5 -9,-0.2 0.897 43.4 -90.0 -96.7 -50.0 20.5 -9.8 17.9 34 80 A G E -A 23 0A 1 -11,-1.5 -11,-2.8 107,-0.1 -1,-0.2 -0.900 49.9 -43.7 171.3-146.3 18.9 -8.3 14.8 35 81 A S E -A 22 0A 0 107,-1.5 13,-0.5 105,-0.4 2,-0.3 -0.697 38.6-178.2-118.8 170.0 19.3 -7.7 11.1 36 82 A G E -A 21 0A 0 -15,-1.5 -15,-2.3 -2,-0.2 2,-0.4 -0.966 17.7-129.7-161.1 169.2 22.0 -6.6 8.7 37 83 A V E -AC 20 46A 0 9,-2.2 9,-1.8 -2,-0.3 2,-0.8 -0.993 14.4-132.5-137.1 131.6 22.7 -5.8 5.1 38 84 A I E - C 0 45A 0 -19,-1.7 57,-3.0 -2,-0.4 7,-0.2 -0.728 25.4-180.0 -84.6 110.7 25.4 -7.0 2.7 39 85 A M - 0 0 10 5,-2.6 2,-0.2 -2,-0.8 -1,-0.2 0.955 55.9 -2.8 -77.5 -52.8 26.7 -3.9 1.0 40 86 A D S > S- 0 0 31 4,-0.8 3,-1.1 54,-0.1 4,-0.2 -0.785 70.2 -97.8-138.4 175.5 29.5 -5.2 -1.4 41 87 A Q T 3 S+ 0 0 94 1,-0.2 51,-0.1 -2,-0.2 -1,-0.1 0.818 111.0 74.0 -65.2 -33.7 31.4 -8.2 -2.5 42 88 A R T 3 S- 0 0 127 1,-0.1 46,-0.4 45,-0.1 -1,-0.2 0.770 117.4-109.1 -53.1 -25.2 34.3 -7.4 -0.2 43 89 A G < + 0 0 0 -3,-1.1 43,-1.2 1,-0.3 2,-0.4 0.730 62.4 155.4 101.9 30.6 32.0 -8.6 2.5 44 90 A Y E - D 0 85A 39 -4,-0.2 -5,-2.6 41,-0.2 -4,-0.8 -0.759 19.7-169.4 -92.9 135.4 31.0 -5.5 4.3 45 91 A I E -CD 38 84A 0 39,-2.4 39,-2.1 -2,-0.4 -7,-0.2 -0.979 11.2-146.7-131.1 122.4 27.8 -5.5 6.2 46 92 A I E +CD 37 83A 2 -9,-1.8 -9,-2.2 -2,-0.4 2,-0.3 -0.556 30.2 149.2 -83.1 149.8 25.9 -2.6 7.9 47 93 A T E - D 0 82A 0 35,-2.2 35,-2.1 -11,-0.2 96,-0.2 -0.952 48.6 -70.0-164.0 174.0 23.8 -3.0 11.0 48 94 A N E > - D 0 81A 0 -13,-0.5 4,-1.1 -2,-0.3 33,-0.3 -0.439 32.4-130.3 -76.3 150.9 22.8 -1.1 14.1 49 95 A K H > S+ 0 0 7 31,-0.8 4,-1.7 1,-0.2 32,-0.1 0.862 104.7 61.5 -63.3 -35.2 25.3 -0.1 16.8 50 96 A H H 4 S+ 0 0 68 30,-0.2 -1,-0.2 1,-0.2 31,-0.1 0.869 99.3 51.5 -66.0 -39.0 23.0 -1.4 19.5 51 97 A V H 4 S+ 0 0 7 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.909 111.0 49.8 -63.7 -40.0 22.9 -5.0 18.3 52 98 A I H >< S+ 0 0 9 -4,-1.1 3,-1.0 2,-0.1 -1,-0.2 0.844 88.3 98.4 -67.9 -37.3 26.7 -5.2 18.2 53 99 A N T 3< S+ 0 0 99 -4,-1.7 3,-0.1 1,-0.3 -3,-0.0 -0.222 91.5 13.7 -58.3 141.2 27.3 -3.8 21.7 54 100 A D T 3 S+ 0 0 169 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.844 93.5 138.6 60.9 34.5 27.9 -6.3 24.4 55 101 A A < - 0 0 29 -3,-1.0 -1,-0.2 1,-0.1 3,-0.2 -0.956 33.2-178.0-112.6 123.3 28.5 -9.0 21.8 56 102 A D S S+ 0 0 117 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.861 79.7 18.7 -84.5 -40.1 31.4 -11.4 22.4 57 103 A Q S S- 0 0 49 14,-0.0 -31,-1.1 2,-0.0 2,-0.4 -0.992 73.3-151.6-136.2 126.9 31.0 -13.3 19.2 58 104 A I E -BE 25 70A 13 12,-0.6 12,-2.5 -2,-0.4 2,-0.4 -0.828 13.9-173.9-101.7 133.3 29.0 -12.0 16.1 59 105 A I E -BE 24 69A 15 -35,-1.8 -35,-2.5 -2,-0.4 2,-0.4 -0.969 7.6-157.5-129.1 144.4 27.4 -14.4 13.7 60 106 A V E -BE 23 68A 0 8,-2.1 8,-2.2 -2,-0.4 2,-0.5 -0.951 2.7-163.0-124.5 140.1 25.6 -13.8 10.4 61 107 A A E -BE 22 67A 17 -39,-2.3 -39,-2.3 -2,-0.4 6,-0.2 -0.968 7.3-153.8-130.6 119.5 23.0 -16.0 8.6 62 108 A L > - 0 0 11 4,-2.1 3,-1.1 -2,-0.5 -41,-0.1 -0.382 28.3-114.3 -89.3 168.3 22.0 -15.7 5.0 63 109 A Q T 3 S+ 0 0 79 -45,-0.6 -1,-0.1 -43,-0.3 -44,-0.1 0.579 113.4 60.6 -80.2 -9.0 18.7 -16.6 3.3 64 110 A D T 3 S- 0 0 91 -46,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.488 123.2 -99.3 -95.8 -5.7 20.4 -19.4 1.3 65 111 A G S < S+ 0 0 58 -3,-1.1 -2,-0.1 1,-0.3 2,-0.0 0.223 76.7 135.9 112.7 -13.2 21.5 -21.2 4.5 66 112 A R - 0 0 73 -5,-0.1 -4,-2.1 1,-0.0 2,-0.4 -0.291 35.0-159.9 -69.2 154.2 25.2 -20.1 4.8 67 113 A V E -E 61 0A 102 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.971 9.9-177.2-143.9 121.4 26.5 -19.0 8.2 68 114 A F E -E 60 0A 37 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.4 -0.748 29.8-121.4-119.2 161.2 29.6 -16.9 9.0 69 115 A E E -E 59 0A 100 -2,-0.3 18,-0.3 -10,-0.2 2,-0.3 -0.870 40.1-148.1 -92.0 136.5 31.6 -15.6 11.9 70 116 A A E -E 58 0A 11 -12,-2.5 -12,-0.6 -2,-0.4 2,-0.4 -0.812 8.5-145.1-114.9 148.7 31.7 -11.8 11.6 71 117 A L E -F 85 0A 56 14,-2.5 14,-2.2 -2,-0.3 2,-0.9 -0.919 22.7-121.6-112.0 137.1 34.2 -9.1 12.6 72 118 A L E -F 84 0A 87 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.654 24.8-176.4 -79.8 107.2 33.3 -5.7 13.9 73 119 A V E - 0 0 42 10,-1.9 2,-0.2 -2,-0.9 11,-0.2 0.769 58.0 -72.5 -72.9 -26.7 34.8 -3.1 11.5 74 120 A G E -F 83 0A 20 9,-1.1 9,-2.6 2,-0.0 -1,-0.3 -0.786 44.3-126.4 148.6 166.8 33.7 -0.2 13.7 75 121 A S E -F 82 0A 51 7,-0.2 2,-0.4 -2,-0.2 7,-0.3 -0.802 8.1-133.7-136.2 178.7 30.6 1.8 14.7 76 122 A D E >> -F 81 0A 48 5,-2.2 5,-1.5 -2,-0.2 4,-0.9 -0.891 8.4-160.4-141.3 106.2 29.2 5.3 14.9 77 123 A S T >45S+ 0 0 117 -2,-0.4 3,-0.6 1,-0.2 -1,-0.1 0.875 87.7 54.9 -53.4 -45.6 27.5 6.4 18.1 78 124 A L T 345S+ 0 0 161 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.856 118.3 30.8 -63.4 -39.9 25.6 9.3 16.6 79 125 A T T 345S- 0 0 28 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.357 102.5-124.2-102.8 4.0 23.8 7.4 13.8 80 126 A D T <<5 + 0 0 35 -4,-0.9 -31,-0.8 -3,-0.6 2,-0.3 0.932 63.4 140.4 53.4 48.7 23.6 4.1 15.7 81 127 A L E < -DF 48 76A 4 -5,-1.5 -5,-2.2 -33,-0.3 2,-0.3 -0.811 30.6-176.8-119.7 164.1 25.4 2.3 12.9 82 128 A A E -DF 47 75A 0 -35,-2.1 -35,-2.2 -2,-0.3 2,-0.4 -0.980 13.9-145.1-154.1 148.3 28.0 -0.5 12.7 83 129 A V E -DF 46 74A 3 -9,-2.6 -10,-1.9 -2,-0.3 -9,-1.1 -0.941 15.6-167.5-118.7 145.8 29.9 -2.2 9.9 84 130 A L E -DF 45 72A 0 -39,-2.1 -39,-2.4 -2,-0.4 2,-0.4 -0.889 8.5-143.4-129.6 159.5 30.9 -5.9 9.9 85 131 A K E +DF 44 71A 61 -14,-2.2 -14,-2.5 -2,-0.3 2,-0.3 -0.970 16.9 173.2-128.8 139.9 33.3 -8.0 7.8 86 132 A I - 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