==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAY-04 1TE0 . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.B.G.RAVELLI,K.ZETH . 636 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 61.0 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 . 187 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 67 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 0 2 0 2 0 0 0 0 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 . 2 7 10 4 9 0 2 0 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 . 2 0 0 0 2 4 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 37 A F 0 0 162 0, 0.0 2,-0.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -19.5 68.6 43.7 71.7 2 38 A D > + 0 0 94 1,-0.2 3,-0.6 2,-0.1 4,-0.4 -0.347 360.0 140.2-108.1 54.4 67.1 46.8 73.3 3 39 A S G > + 0 0 94 -2,-0.3 3,-2.6 1,-0.2 -1,-0.2 0.885 54.4 94.1 -56.9 -36.7 63.8 47.6 71.6 4 40 A T G 3 S+ 0 0 130 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.650 88.8 33.0 -23.8 -54.0 62.5 48.5 75.1 5 41 A D G < S+ 0 0 142 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.531 100.2 99.1 -90.0 -3.3 63.1 52.2 75.1 6 42 A E < - 0 0 120 -3,-2.6 -3,-0.0 -4,-0.4 0, 0.0 -0.352 65.9-129.1 -85.4 165.3 62.5 52.9 71.4 7 43 A T - 0 0 127 -2,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.964 18.9-128.0-115.8 117.7 59.3 54.2 69.7 8 44 A P - 0 0 107 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.392 32.4-104.1 -65.3 136.3 57.7 52.5 66.7 9 45 A A + 0 0 109 -2,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.405 59.8 162.2 -56.4 138.2 57.0 54.6 63.7 10 46 A S - 0 0 86 -3,-0.1 3,-0.2 -2,-0.1 -3,-0.0 -0.982 51.8-153.1-165.7 149.2 53.2 55.3 63.7 11 47 A Y >> + 0 0 100 -2,-0.3 4,-1.5 1,-0.1 3,-0.6 0.016 63.0 118.4-106.1 23.1 50.2 57.4 62.5 12 48 A N H 3> + 0 0 74 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.802 66.1 66.7 -72.6 -20.0 48.1 56.7 65.6 13 49 A L H 3> S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.958 100.9 47.0 -63.0 -46.1 48.2 60.5 66.3 14 50 A A H <> S+ 0 0 0 -3,-0.6 4,-1.8 158,-0.3 5,-0.4 0.922 113.7 51.1 -54.5 -43.5 46.0 61.1 63.2 15 51 A V H X S+ 0 0 33 -4,-1.5 4,-2.0 1,-0.2 3,-0.3 0.948 107.8 49.2 -62.2 -48.6 43.8 58.3 64.3 16 52 A R H < S+ 0 0 200 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.6 43.2 -61.9 -32.4 43.3 59.6 67.9 17 53 A R H < S+ 0 0 133 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.819 127.0 25.7 -86.1 -21.8 42.4 63.1 66.6 18 54 A A H >< S+ 0 0 0 -4,-1.8 3,-1.8 -3,-0.3 4,-0.2 0.859 101.9 74.1-114.6 -39.4 40.1 62.2 63.7 19 55 A A G >< S+ 0 0 1 -4,-2.0 3,-2.0 -5,-0.4 54,-0.2 0.708 85.8 63.5 -54.3 -34.5 38.5 58.8 64.3 20 56 A P G 3 S+ 0 0 38 0, 0.0 53,-0.3 0, 0.0 -1,-0.3 0.696 101.5 54.7 -67.6 -19.7 36.0 59.8 67.0 21 57 A A G < S+ 0 0 1 -3,-1.8 27,-2.6 83,-0.2 2,-0.5 0.498 88.4 92.3 -82.2 -5.6 34.3 62.0 64.5 22 58 A V E < -A 47 0A 1 -3,-2.0 51,-0.3 -4,-0.2 25,-0.2 -0.849 63.1-168.2 -99.5 124.4 33.9 59.0 62.0 23 59 A V E -A 46 0A 0 23,-2.2 23,-1.9 -2,-0.5 2,-0.4 -0.662 25.4-113.5-116.4 152.2 30.5 57.3 62.4 24 60 A N E -AB 45 71A 18 47,-1.9 47,-1.8 -2,-0.2 2,-0.6 -0.716 30.8-156.1 -75.9 132.6 28.6 54.1 61.3 25 61 A V E -AB 44 70A 0 19,-4.3 19,-1.6 -2,-0.4 2,-0.4 -0.968 6.8-161.2-115.8 121.1 25.8 54.9 59.1 26 62 A Y E -AB 43 69A 63 43,-3.8 43,-2.0 -2,-0.6 2,-0.7 -0.897 11.8-158.9-107.5 136.1 22.9 52.4 58.9 27 63 A N E -AB 42 68A 2 15,-2.4 14,-3.1 -2,-0.4 15,-1.3 -0.882 23.3-168.9-104.6 104.5 20.2 52.1 56.1 28 64 A R E -AB 40 67A 81 39,-2.5 38,-2.1 -2,-0.7 39,-1.5 -0.830 5.9-161.5-103.2 133.7 17.2 50.1 57.7 29 65 A G E -A 39 0A 11 10,-3.4 10,-1.5 -2,-0.4 2,-0.6 -0.860 19.7-131.2-104.8 147.7 14.2 48.7 55.9 30 66 A L E -A 38 0A 96 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.924 40.8-126.3 -81.7 105.6 10.7 47.6 57.1 31 67 A N - 0 0 13 6,-1.3 6,-0.2 -2,-0.6 3,-0.1 0.273 17.7-156.6 -51.1 167.3 10.2 44.1 55.5 32 68 A T S S+ 0 0 86 1,-0.1 2,-0.6 4,-0.1 3,-0.3 0.448 76.8 76.8-113.3 -9.0 7.3 42.9 53.3 33 69 A N S S+ 0 0 53 1,-0.3 3,-0.3 503,-0.1 604,-0.3 -0.903 107.4 0.1-111.5 121.6 7.7 39.1 54.1 34 70 A S S S- 0 0 29 -2,-0.6 2,-2.0 1,-0.1 -1,-0.3 0.995 122.4 -56.4 51.2 77.9 6.5 38.0 57.5 35 71 A H S S- 0 0 143 -3,-0.3 -1,-0.1 601,-0.1 2,-0.1 0.003 82.3-105.0 71.1 -30.1 5.1 41.1 59.2 36 72 A N + 0 0 84 -2,-2.0 2,-0.2 -3,-0.3 600,-0.1 -0.376 54.2 113.8 113.6-169.4 7.8 43.7 59.3 37 73 A Q + 0 0 123 -6,-0.2 -6,-1.3 -2,-0.1 2,-1.3 -0.658 62.6 17.0 87.1-147.5 10.5 45.7 61.4 38 74 A L E +A 30 0A 122 -2,-0.2 2,-0.3 -8,-0.2 -8,-0.2 -0.412 54.8 152.3 -89.5 49.9 14.2 46.0 61.6 39 75 A E E -A 29 0A 62 -10,-1.5 -10,-3.4 -2,-1.3 2,-0.6 -0.547 37.4-137.2 -86.8 137.2 16.3 44.9 58.7 40 76 A I E +A 28 0A 95 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.737 21.7 178.5 -78.9 113.6 19.7 46.4 57.9 41 77 A R E - 0 0 118 -14,-3.1 2,-0.3 -2,-0.6 -13,-0.2 0.792 66.2 -12.8 -92.2 -27.2 19.8 46.8 54.2 42 78 A T E -A 27 0A 34 -15,-1.3 -15,-2.4 19,-0.1 -1,-0.4 -0.962 57.0-149.6-162.4 174.9 23.3 48.3 54.1 43 79 A L E +A 26 0A 64 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.966 24.0 150.7-147.9 146.1 26.0 49.9 56.3 44 80 A G E -A 25 0A 2 -19,-1.6 -19,-4.3 -2,-0.3 2,-0.3 -0.939 38.4 -87.7-166.7 179.4 28.6 52.5 55.6 45 81 A S E -A 24 0A 0 -2,-0.3 13,-0.5 -21,-0.2 2,-0.3 -0.694 31.5-177.1-105.7 154.1 30.7 55.3 57.2 46 82 A G E -A 23 0A 0 -23,-1.9 -23,-2.2 -2,-0.3 2,-0.4 -0.903 18.8-131.1-143.3 166.0 30.0 59.0 57.7 47 83 A V E -AC 22 56A 0 9,-2.4 9,-1.8 -2,-0.3 2,-0.6 -0.991 16.4-129.7-126.9 126.9 31.9 62.1 59.0 48 84 A I E - C 0 55A 1 -27,-2.6 57,-2.6 -2,-0.4 7,-0.2 -0.613 25.4-176.0 -72.8 113.0 30.7 64.7 61.6 49 85 A M - 0 0 20 5,-2.6 2,-0.3 -2,-0.6 -1,-0.1 0.783 53.1 -9.8 -82.3 -31.9 31.3 68.0 60.2 50 86 A D S > S- 0 0 45 4,-0.8 3,-1.3 53,-0.1 -1,-0.1 -0.926 75.9 -84.5-157.5 171.3 30.3 70.6 62.9 51 87 A Q T 3 S+ 0 0 98 -2,-0.3 3,-0.4 1,-0.2 -2,-0.0 -0.285 113.3 62.6 -75.5 172.2 28.6 71.0 66.2 52 88 A R T 3 S- 0 0 174 1,-0.2 -1,-0.2 -2,-0.1 44,-0.1 0.502 119.2-100.2 86.0 -31.3 25.0 71.3 65.2 53 89 A G < + 0 0 0 -3,-1.3 43,-1.6 1,-0.2 2,-0.3 0.633 62.2 156.4 87.2 21.3 25.2 67.8 63.8 54 90 A Y E - D 0 95A 39 -3,-0.4 -5,-2.6 41,-0.2 -4,-0.8 -0.686 20.0-171.9 -76.1 138.2 25.6 67.8 60.1 55 91 A I E -CD 48 94A 1 39,-2.4 39,-2.7 -2,-0.3 2,-0.4 -0.971 15.3-146.8-131.7 131.8 27.2 64.6 58.7 56 92 A I E +CD 47 93A 1 -9,-1.8 -9,-2.4 -2,-0.3 2,-0.2 -0.935 31.5 149.1 -97.8 139.2 28.5 63.7 55.2 57 93 A T E - D 0 92A 0 35,-1.6 35,-1.6 -2,-0.4 2,-0.3 -0.717 52.4 -71.8-131.9-160.6 28.3 60.0 53.9 58 94 A N E >> - D 0 91A 0 -13,-0.5 4,-1.3 -2,-0.2 3,-0.7 -0.723 29.8-131.7 -95.7 142.7 27.8 58.5 50.4 59 95 A K H 3> S+ 0 0 34 31,-0.6 4,-2.1 -2,-0.3 -1,-0.1 0.890 107.7 61.0 -54.3 -38.9 24.4 58.8 48.6 60 96 A H H 34 S+ 0 0 38 30,-0.3 -1,-0.2 2,-0.2 128,-0.1 0.854 99.2 53.8 -65.2 -25.3 24.7 55.1 47.8 61 97 A V H <4 S+ 0 0 4 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.941 118.2 36.9 -73.6 -39.0 24.7 54.1 51.6 62 98 A I H >< S+ 0 0 6 -4,-1.3 3,-2.2 2,-0.1 -2,-0.2 0.640 81.1 125.4 -88.2 -15.4 21.4 56.0 52.1 63 99 A N T 3< S- 0 0 58 -4,-2.1 -3,-0.0 1,-0.3 -36,-0.0 -0.075 86.8 -0.2 -46.7 132.5 19.3 55.5 48.9 64 100 A D T 3 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.559 88.6 159.8 60.3 16.5 15.8 54.2 49.6 65 101 A A < - 0 0 26 -3,-2.2 -1,-0.2 1,-0.2 -36,-0.2 -0.374 33.0-160.9 -58.6 143.2 16.3 54.0 53.4 66 102 A D S S+ 0 0 101 -38,-2.1 2,-0.3 1,-0.4 -37,-0.2 0.796 85.9 10.2 -87.0 -37.6 13.1 53.9 55.5 67 103 A Q E S-B 28 0A 50 -39,-1.5 -39,-2.5 -3,-0.1 2,-0.5 -0.994 70.5-147.7-140.3 137.1 15.1 55.0 58.5 68 104 A I E -BE 27 80A 13 12,-0.6 12,-3.7 -2,-0.3 2,-0.4 -0.927 18.9-171.2-104.2 118.3 18.7 56.3 58.8 69 105 A I E -BE 26 79A 18 -43,-2.0 -43,-3.8 -2,-0.5 2,-0.5 -0.921 6.1-160.3-114.2 141.7 20.5 55.5 62.1 70 106 A V E -BE 25 78A 0 8,-3.2 8,-2.2 -2,-0.4 2,-0.5 -0.946 3.8-167.6-124.7 125.7 23.9 56.9 63.2 71 107 A A E -BE 24 77A 21 -47,-1.8 -47,-1.9 -2,-0.5 2,-0.2 -0.918 9.1-149.8-119.8 128.3 26.2 55.2 65.8 72 108 A L > - 0 0 13 4,-2.8 3,-1.9 -2,-0.5 -49,-0.1 -0.643 26.9-117.3 -86.6 159.7 29.2 57.0 67.4 73 109 A Q T 3 S+ 0 0 114 -51,-0.3 -1,-0.1 -53,-0.3 -52,-0.1 0.738 115.0 64.6 -61.0 -27.2 32.4 55.3 68.7 74 110 A D T 3 S- 0 0 86 -54,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.439 121.9-104.1 -78.6 7.3 31.4 56.6 72.1 75 111 A G S < S+ 0 0 57 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.166 76.7 134.2 94.0 -19.1 28.2 54.4 72.2 76 112 A R - 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