==== 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 26-JUN-07 2QF3 . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 595 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 65.7 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 . 211 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 . 41 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 3 0 0 0 0 0 2 1 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 . 3 5 9 5 11 3 1 1 0 1 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 6 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 36 A Q 0 0 195 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.2 23.8 5.4 -6.9 2 37 A F - 0 0 57 218,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.980 360.0-141.2-159.7 157.3 21.9 2.1 -6.3 3 38 A D + 0 0 111 -2,-0.3 3,-0.3 1,-0.1 4,-0.1 -0.952 16.9 175.3-128.6 110.1 19.4 -0.0 -8.0 4 39 A S > + 0 0 9 -2,-0.5 3,-0.7 1,-0.2 -1,-0.1 0.302 47.9 112.0 -97.2 9.4 16.8 -1.6 -5.8 5 40 A T T 3 S+ 0 0 35 1,-0.3 -1,-0.2 3,-0.0 300,-0.0 0.851 87.0 32.8 -49.2 -44.5 14.8 -3.1 -8.6 6 41 A D T 3 S+ 0 0 148 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.549 98.0 100.8 -93.8 -8.0 15.6 -6.7 -7.7 7 42 A E S < S- 0 0 66 -3,-0.7 363,-0.1 -4,-0.1 -3,-0.0 -0.358 72.4-123.6 -71.9 160.5 15.8 -6.2 -3.9 8 43 A T - 0 0 119 361,-0.1 2,-0.1 -2,-0.0 -2,-0.1 -0.920 17.1-123.6-112.2 124.4 12.7 -7.3 -1.8 9 44 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 359,-0.0 -0.409 32.9-108.0 -64.0 137.3 10.8 -4.8 0.5 10 45 A A + 0 0 36 -2,-0.1 305,-2.4 305,-0.1 359,-0.3 -0.426 59.8 164.8 -60.3 137.2 10.6 -6.0 4.1 11 46 A S B -A 314 0A 48 303,-0.3 303,-0.3 -2,-0.1 3,-0.2 -0.994 53.8-155.8-161.8 151.6 6.9 -7.0 4.5 12 47 A Y > + 0 0 28 301,-1.9 4,-1.8 -2,-0.3 3,-0.2 -0.020 62.6 119.2-112.8 23.4 4.2 -8.9 6.4 13 48 A N H > + 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.821 67.5 61.0 -60.2 -29.4 2.0 -9.3 3.3 14 49 A L H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 104.8 47.4 -64.1 -44.1 2.2 -13.1 3.6 15 50 A A H > S+ 0 0 0 147,-0.3 4,-2.4 -3,-0.2 5,-0.4 0.920 113.2 51.0 -63.7 -37.8 0.5 -12.9 7.0 16 51 A V H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.952 109.2 47.4 -63.1 -50.3 -2.1 -10.6 5.5 17 52 A R H < S+ 0 0 146 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.2 47.1 -61.0 -37.7 -3.0 -12.7 2.5 18 53 A R H < S+ 0 0 98 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.900 128.1 18.6 -70.4 -42.0 -3.3 -15.8 4.9 19 54 A A H >< S+ 0 0 0 -4,-2.4 3,-1.8 -5,-0.2 4,-0.3 0.836 106.0 72.2-100.0 -41.9 -5.4 -14.2 7.6 20 55 A A G >< S+ 0 0 4 -4,-2.0 3,-2.0 -5,-0.4 51,-0.2 0.822 89.0 63.7 -49.8 -40.3 -7.2 -11.1 6.4 21 56 A P G 3 S+ 0 0 54 0, 0.0 50,-0.5 0, 0.0 -1,-0.3 0.827 102.8 52.0 -57.3 -27.4 -9.7 -12.9 4.2 22 57 A A G < S+ 0 0 2 -3,-1.8 24,-3.1 80,-0.2 2,-0.6 0.463 89.4 92.5 -89.4 0.7 -11.2 -14.6 7.3 23 58 A V E < -B 45 0B 0 -3,-2.0 48,-0.3 -4,-0.3 22,-0.2 -0.857 61.7-167.0-100.3 122.8 -11.7 -11.3 9.2 24 59 A V E -B 44 0B 0 20,-2.0 20,-1.6 -2,-0.6 2,-0.4 -0.558 23.6-115.7-107.2 165.1 -15.1 -9.9 8.7 25 60 A N E -BC 43 69B 14 44,-2.6 44,-2.6 18,-0.2 2,-0.5 -0.848 31.0-155.7 -96.6 135.3 -16.8 -6.6 9.4 26 61 A V E -BC 42 68B 0 16,-2.8 16,-2.6 -2,-0.4 2,-0.4 -0.951 7.9-168.5-116.9 132.4 -19.6 -6.9 12.0 27 62 A Y E -BC 41 67B 36 40,-2.7 40,-2.7 -2,-0.5 2,-0.7 -0.976 12.1-153.9-124.5 131.4 -22.5 -4.4 12.2 28 63 A N E -BC 40 66B 6 12,-2.6 11,-3.5 -2,-0.4 12,-1.3 -0.889 23.6-168.1-100.3 111.5 -25.0 -4.2 15.0 29 64 A R E -BC 38 65B 71 36,-3.1 35,-2.7 -2,-0.7 36,-2.0 -0.841 9.1-161.9-111.5 145.6 -28.2 -2.7 13.5 30 65 A G E B 37 0B 5 7,-2.7 7,-2.5 -2,-0.4 33,-0.1 -0.918 360.0 360.0-121.3 148.1 -31.3 -1.4 15.3 31 66 A L 0 0 109 -2,-0.3 3,-0.2 5,-0.2 5,-0.2 -0.486 360.0 360.0 -80.7 360.0 -34.8 -0.8 13.9 32 ! 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 33 71 A H 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.8 -38.2 4.8 12.8 34 72 A N + 0 0 128 -3,-0.2 0, 0.0 2,-0.1 0, 0.0 0.752 360.0 104.1 -68.6 -28.5 -38.7 1.5 11.0 35 73 A Q S S- 0 0 144 -4,-0.2 2,-0.7 1,-0.1 -5,-0.0 -0.147 76.3-119.1 -54.8 149.9 -35.5 1.8 8.9 36 74 A L + 0 0 48 -5,-0.2 2,-0.3 -7,-0.1 -5,-0.2 -0.853 38.7 177.2 -97.6 116.2 -32.5 -0.4 10.0 37 75 A E E -B 30 0B 94 -7,-2.5 -7,-2.7 -2,-0.7 2,-0.3 -0.862 36.2 -97.1-120.4 155.8 -29.5 1.7 11.0 38 76 A I E +B 29 0B 79 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.519 32.9 178.1 -69.2 125.2 -26.1 0.8 12.3 39 77 A R E - 0 0 138 -11,-3.5 2,-0.3 1,-0.4 -10,-0.2 0.750 69.3 -20.7 -96.2 -34.9 -25.9 1.3 16.1 40 78 A T E -B 28 0B 62 -12,-1.3 -12,-2.6 19,-0.1 -1,-0.4 -0.972 63.5-151.8-163.0 169.1 -22.3 0.1 16.5 41 79 A L E +B 27 0B 36 -2,-0.3 112,-0.3 -14,-0.2 2,-0.3 -0.957 20.5 143.9-149.0 167.0 -19.7 -1.9 14.6 42 80 A G E -B 26 0B 0 -16,-2.6 -16,-2.8 -2,-0.3 2,-0.2 -0.841 40.5 -83.2-169.9-152.7 -16.7 -4.0 15.0 43 81 A S E -B 25 0B 0 112,-3.2 13,-0.5 -18,-0.3 2,-0.3 -0.737 26.8-165.0-131.9 175.4 -15.0 -7.1 13.5 44 82 A G E -B 24 0B 0 -20,-1.6 -20,-2.0 -2,-0.2 2,-0.4 -0.950 16.9-127.8-157.1 166.4 -15.2 -10.8 13.8 45 83 A V E -BD 23 54B 0 9,-2.3 9,-2.3 -2,-0.3 2,-0.8 -0.989 17.5-130.5-129.4 123.4 -13.1 -13.8 12.8 46 84 A I E - D 0 53B 0 -24,-3.1 57,-2.4 -2,-0.4 7,-0.2 -0.618 26.2-175.2 -72.6 110.4 -14.4 -16.8 10.8 47 85 A M - 0 0 13 5,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.746 56.8 -4.4 -83.2 -27.8 -13.2 -19.8 12.9 48 86 A D S > S- 0 0 37 4,-0.8 3,-1.9 53,-0.1 4,-0.5 -0.980 76.7 -89.4-158.3 170.3 -14.2 -22.8 10.7 49 87 A Q T 3 S+ 0 0 114 -2,-0.3 50,-0.1 1,-0.3 51,-0.1 0.679 111.1 72.0 -57.5 -23.6 -15.9 -23.8 7.5 50 88 A R T 3 S- 0 0 134 1,-0.1 -1,-0.3 45,-0.1 46,-0.2 0.602 116.5-106.0 -72.2 -6.8 -19.3 -24.2 9.1 51 89 A G < + 0 0 0 -3,-1.9 43,-1.9 1,-0.3 2,-0.4 0.758 64.2 155.5 91.3 24.2 -19.5 -20.4 9.4 52 90 A Y E - E 0 93B 40 -4,-0.5 -5,-2.4 41,-0.2 -4,-0.8 -0.733 21.0-169.8 -86.0 133.7 -18.9 -20.0 13.1 53 91 A I E -DE 46 92B 0 39,-2.8 39,-3.0 -2,-0.4 2,-0.4 -0.975 15.2-144.8-129.5 138.0 -17.5 -16.5 13.9 54 92 A I E +DE 45 91B 2 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.2 -0.804 32.2 148.3 -99.2 140.0 -16.0 -15.1 17.0 55 93 A T E - E 0 90B 0 35,-2.2 35,-2.1 -2,-0.4 2,-0.4 -0.819 51.3 -77.0-149.5-173.3 -16.6 -11.4 17.9 56 94 A N E >> - E 0 89B 0 -13,-0.5 4,-1.1 99,-0.3 3,-0.7 -0.772 29.7-134.1 -95.8 146.5 -16.9 -9.4 21.1 57 95 A K H >> S+ 0 0 35 31,-1.3 4,-1.4 -2,-0.4 3,-0.8 0.927 105.1 59.4 -61.4 -44.4 -20.2 -9.5 23.0 58 96 A H H 34 S+ 0 0 83 30,-0.3 -1,-0.2 1,-0.3 31,-0.1 0.766 100.1 58.7 -57.8 -23.2 -20.3 -5.7 23.5 59 97 A V H <4 S+ 0 0 2 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.880 115.0 33.7 -73.8 -37.6 -20.3 -5.4 19.7 60 98 A I H X< S+ 0 0 6 -4,-1.1 3,-1.7 -3,-0.8 -2,-0.2 0.522 82.7 132.9 -99.1 0.4 -23.5 -7.4 19.3 61 99 A N T 3< S- 0 0 63 -4,-1.4 -3,-0.0 1,-0.3 -33,-0.0 -0.189 82.9 -2.9 -53.0 133.3 -25.4 -6.4 22.5 62 100 A D T 3 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.730 87.3 162.9 56.7 27.1 -29.1 -5.4 21.8 63 101 A A < - 0 0 26 -3,-1.7 -1,-0.2 1,-0.2 -33,-0.2 -0.568 31.7-163.5 -73.6 137.6 -28.7 -5.8 18.1 64 102 A D S S+ 0 0 99 -35,-2.7 2,-0.3 1,-0.4 -34,-0.2 0.738 86.9 11.5 -86.4 -26.6 -32.1 -6.1 16.3 65 103 A Q E S-C 29 0B 29 -36,-2.0 -36,-3.1 -3,-0.1 2,-0.5 -0.990 70.1-150.3-149.8 138.1 -30.1 -7.5 13.4 66 104 A I E -C 28 0B 14 12,-0.5 12,-2.9 -2,-0.3 2,-0.4 -0.945 15.3-165.6-113.8 121.4 -26.4 -8.6 13.1 67 105 A I E -CF 27 77B 22 -40,-2.7 -40,-2.7 -2,-0.5 2,-0.5 -0.889 4.2-162.8-110.1 136.0 -24.8 -8.2 9.7 68 106 A V E -CF 26 76B 0 8,-2.9 8,-2.6 -2,-0.4 2,-0.5 -0.968 5.0-168.0-117.8 124.2 -21.5 -9.8 8.7 69 107 A A E -CF 25 75B 15 -44,-2.6 -44,-2.6 -2,-0.5 6,-0.2 -0.947 8.7-150.4-115.3 126.4 -19.5 -8.5 5.7 70 108 A L > - 0 0 8 4,-3.1 3,-2.1 -2,-0.5 -46,-0.1 -0.604 24.8-119.2 -91.6 155.4 -16.6 -10.5 4.2 71 109 A Q T 3 S+ 0 0 70 -50,-0.5 -1,-0.1 -48,-0.3 -49,-0.1 0.748 112.6 63.3 -65.0 -20.8 -13.6 -8.9 2.4 72 110 A D T 3 S- 0 0 92 -51,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.447 123.5 -99.8 -85.0 4.2 -14.6 -10.7 -0.7 73 111 A G S < S+ 0 0 59 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.144 78.7 130.9 105.2 -22.5 -17.9 -8.9 -1.0 74 112 A R - 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