==== 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 2QF0 . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 1805 29 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1150 63.7 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 . 603 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 27 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 121 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 8 0 0 9 0 0 0 1 1 6 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 . 11 10 35 20 25 11 1 2 1 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 1 0 1 0 17 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 0 232 0, 0.0 2,-0.3 0, 0.0 220,-0.0 0.000 360.0 360.0 360.0 -58.3 24.7 109.0 28.2 2 37 A F - 0 0 163 219,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.879 360.0-110.2-150.8-178.1 24.1 109.3 24.5 3 38 A D + 0 0 105 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 -0.905 32.0 159.9-130.1 107.1 21.9 110.8 21.7 4 39 A S > + 0 0 17 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 0.318 43.7 116.6-102.3 4.4 19.5 108.7 19.7 5 40 A T T 3 S+ 0 0 30 1,-0.3 -1,-0.2 3,-0.0 306,-0.0 0.794 83.4 31.5 -42.2 -45.1 17.4 111.7 18.7 6 41 A D T 3 S+ 0 0 138 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.546 96.7 102.7 -97.0 -7.9 18.2 111.3 15.0 7 42 A E S < S- 0 0 62 -3,-1.1 369,-0.1 -4,-0.1 -3,-0.0 -0.284 72.3-121.5 -68.5 162.1 18.5 107.6 14.8 8 43 A T - 0 0 119 367,-0.1 2,-0.1 3,-0.0 -1,-0.1 -0.931 16.0-124.1-115.8 128.1 15.5 105.7 13.4 9 44 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 365,-0.0 -0.395 30.5-110.1 -67.1 138.9 13.5 103.0 15.3 10 45 A A + 0 0 37 311,-0.1 311,-2.1 -2,-0.1 365,-0.3 -0.513 57.0 164.1 -65.4 136.7 13.1 99.6 13.6 11 46 A S B -A 320 0A 46 309,-0.3 309,-0.3 -2,-0.2 3,-0.2 -0.998 52.2-155.1-160.3 153.4 9.5 99.4 12.5 12 47 A Y >> + 0 0 28 307,-2.6 4,-1.3 -2,-0.3 3,-0.7 0.032 62.4 119.4-114.1 22.0 6.8 97.7 10.4 13 48 A N H 3> + 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.797 65.0 64.8 -57.6 -32.4 4.6 100.8 10.4 14 49 A L H 3> S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 103.9 46.7 -58.4 -43.4 4.8 101.0 6.6 15 50 A A H <> S+ 0 0 0 -3,-0.7 4,-2.0 145,-0.3 5,-0.5 0.850 111.8 52.1 -67.0 -33.7 2.9 97.7 6.4 16 51 A V H X S+ 0 0 11 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.971 108.6 48.1 -66.5 -52.4 0.4 98.8 8.9 17 52 A R H < S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 118.1 43.2 -58.8 -31.0 -0.5 102.1 7.2 18 53 A R H < S+ 0 0 124 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.798 128.1 22.2 -86.2 -30.8 -0.9 100.2 3.9 19 54 A A H >< S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.1 4,-0.2 0.831 106.0 69.3-105.5 -41.7 -2.8 97.1 5.0 20 55 A A G >< S+ 0 0 4 -4,-1.9 3,-1.4 -5,-0.5 49,-0.2 0.747 89.8 64.8 -53.5 -33.0 -4.7 97.8 8.2 21 56 A P G 3 S+ 0 0 52 0, 0.0 48,-0.4 0, 0.0 49,-0.3 0.802 102.7 49.8 -63.9 -25.1 -7.2 100.3 6.7 22 57 A A G < S+ 0 0 1 -3,-1.7 22,-2.7 78,-0.2 2,-0.7 0.340 90.1 93.0 -94.2 4.9 -8.6 97.5 4.6 23 58 A V E < -B 43 0B 1 -3,-1.4 46,-0.2 20,-0.2 20,-0.2 -0.894 63.3-165.4-103.5 115.6 -9.0 95.0 7.5 24 59 A V E -B 42 0B 0 18,-1.9 18,-1.7 -2,-0.7 2,-0.5 -0.590 24.6-113.7-104.3 161.2 -12.5 95.2 9.0 25 60 A N E -BC 41 67B 18 42,-2.6 42,-2.5 16,-0.2 2,-0.6 -0.753 31.7-156.0 -87.5 127.9 -14.3 94.1 12.2 26 61 A V E -BC 40 66B 0 14,-2.9 14,-2.8 -2,-0.5 2,-0.5 -0.933 7.1-165.6-111.1 121.6 -17.0 91.5 11.3 27 62 A Y E -BC 39 65B 40 38,-3.3 38,-2.7 -2,-0.6 2,-0.8 -0.923 12.5-156.1-113.7 126.4 -19.9 91.1 13.7 28 63 A N E -BC 38 64B 3 10,-2.3 9,-3.6 -2,-0.5 10,-1.2 -0.862 26.4-166.2 -93.8 107.6 -22.3 88.2 13.7 29 64 A R E +BC 36 63B 98 34,-2.8 33,-1.7 -2,-0.8 34,-1.5 -0.776 9.9 179.5-104.5 147.4 -25.5 89.6 15.3 30 65 A G - 0 0 11 5,-3.7 2,-0.3 -2,-0.3 31,-0.1 -0.784 32.4 -86.7-134.7 177.5 -28.5 87.8 16.7 31 66 A L + 0 0 141 -2,-0.2 31,-0.0 1,-0.1 0, 0.0 -0.668 56.2 130.8 -88.6 140.2 -31.9 88.3 18.4 32 67 A N 0 0 111 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.430 360.0 360.0-149.9 -59.1 -32.2 88.5 22.2 33 68 A T 0 0 182 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.983 360.0 360.0 76.1 360.0 -34.1 91.3 23.8 34 ! 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 35 75 A E 0 0 130 0, 0.0 -5,-3.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.7 -26.7 91.4 20.1 36 76 A I E +B 29 0B 83 -7,-0.3 -7,-0.3 1,-0.2 3,-0.1 -0.585 360.0 172.8 -77.7 127.6 -23.3 90.1 19.0 37 77 A R E S- 0 0 123 -9,-3.6 2,-0.3 1,-0.5 -8,-0.2 0.817 70.7 -4.1 -98.8 -47.6 -23.0 86.3 18.9 38 78 A T E -B 28 0B 40 -10,-1.2 -10,-2.3 19,-0.1 -1,-0.5 -0.915 65.5-157.4-140.6 165.0 -19.5 85.9 17.4 39 79 A L E +B 27 0B 23 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.993 21.1 143.0-148.8 148.0 -17.0 88.4 16.0 40 80 A G E -B 26 0B 0 -14,-2.8 -14,-2.9 -2,-0.3 2,-0.3 -0.753 38.8 -89.6-156.1-155.8 -14.1 88.2 13.6 41 81 A S E -B 25 0B 0 112,-3.0 13,-0.5 -16,-0.3 2,-0.3 -0.834 26.4-167.9-130.7 168.4 -12.2 90.1 11.0 42 82 A G E -B 24 0B 0 -18,-1.7 -18,-1.9 -2,-0.3 2,-0.5 -0.965 17.5-128.6-152.1 163.1 -12.5 90.4 7.2 43 83 A V E -BD 23 52B 0 9,-2.3 9,-2.3 -2,-0.3 2,-0.8 -0.976 17.2-133.3-122.9 124.8 -10.4 91.7 4.4 44 84 A I E - D 0 51B 0 -22,-2.7 57,-1.9 -2,-0.5 7,-0.2 -0.666 24.6-172.7 -74.5 113.0 -11.7 94.1 1.8 45 85 A X - 0 0 13 5,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.660 54.8 -14.3 -84.9 -20.4 -10.4 92.5 -1.5 46 86 A D S > S- 0 0 31 4,-0.7 3,-2.3 53,-0.1 4,-0.3 -0.975 72.8 -85.5-174.6 165.6 -11.4 95.2 -4.1 47 87 A Q T 3 S+ 0 0 99 1,-0.3 50,-0.1 -2,-0.3 -1,-0.0 0.698 110.2 76.9 -53.9 -25.9 -13.4 98.3 -4.9 48 88 A R T 3 S- 0 0 123 1,-0.1 46,-0.4 2,-0.1 -1,-0.3 0.679 113.2-111.8 -61.5 -15.8 -16.4 96.2 -5.8 49 89 A G < + 0 0 0 -3,-2.3 43,-1.7 1,-0.3 2,-0.2 0.536 64.1 151.5 97.0 7.8 -17.0 95.8 -2.1 50 90 A Y E - E 0 91B 43 -4,-0.3 -5,-2.2 41,-0.2 -4,-0.7 -0.549 23.9-166.0 -76.7 137.1 -16.3 92.1 -1.8 51 91 A I E -DE 44 90B 0 39,-2.6 39,-3.0 -2,-0.2 2,-0.4 -0.966 12.2-145.6-128.7 139.5 -14.9 90.9 1.5 52 92 A I E +DE 43 89B 1 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.2 -0.847 33.7 141.3-104.4 141.0 -13.2 87.7 2.7 53 93 A T E - E 0 88B 0 35,-2.2 35,-2.2 -2,-0.4 2,-0.3 -0.853 51.4 -67.4-156.5-173.5 -13.8 86.2 6.1 54 94 A N E > - E 0 87B 0 -13,-0.5 4,-1.0 99,-0.3 3,-0.5 -0.726 28.7-139.1 -93.3 143.7 -14.2 82.9 7.9 55 95 A K H > S+ 0 0 46 31,-2.1 4,-1.2 -2,-0.3 3,-0.4 0.879 103.5 56.2 -63.6 -40.2 -17.3 80.8 7.5 56 96 A H H 4 S+ 0 0 63 30,-0.4 -1,-0.2 1,-0.2 31,-0.1 0.762 101.2 58.6 -68.1 -22.2 -17.5 80.0 11.2 57 97 A V H 4 S+ 0 0 1 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.6 33.5 -73.8 -33.5 -17.6 83.6 12.1 58 98 A I H >< S+ 0 0 3 -4,-1.0 3,-0.8 -3,-0.4 -2,-0.2 0.474 83.4 129.1-104.2 -0.0 -20.7 84.3 10.0 59 99 A N T 3< S+ 0 0 52 -4,-1.2 -3,-0.0 1,-0.2 -4,-0.0 -0.204 79.4 4.2 -56.5 141.6 -22.7 81.0 10.3 60 100 A D T 3 S+ 0 0 159 1,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.864 89.8 162.3 53.1 45.0 -26.4 81.3 11.4 61 101 A A < - 0 0 32 -3,-0.8 -1,-0.2 1,-0.2 3,-0.2 -0.783 36.1-167.2-101.3 139.1 -26.4 85.1 11.4 62 102 A D S S+ 0 0 103 -33,-1.7 2,-0.4 -2,-0.4 -32,-0.2 0.842 87.1 11.0 -84.0 -37.9 -29.5 87.3 11.3 63 103 A Q E -C 29 0B 60 -34,-1.5 -34,-2.8 2,-0.0 2,-0.6 -0.994 67.6-155.6-143.4 132.4 -27.5 90.4 10.6 64 104 A I E -CF 28 76B 12 12,-0.5 12,-3.0 -2,-0.4 2,-0.4 -0.948 14.7-165.3-111.1 120.7 -23.8 90.7 9.6 65 105 A I E -CF 27 75B 21 -38,-2.7 -38,-3.3 -2,-0.6 2,-0.4 -0.873 5.0-161.6-109.8 139.3 -22.1 94.0 10.4 66 106 A V E -CF 26 74B 0 8,-2.9 8,-2.5 -2,-0.4 2,-0.5 -0.957 5.7-165.2-117.6 133.1 -18.8 95.2 8.9 67 107 A A E -CF 25 73B 17 -42,-2.5 -42,-2.6 -2,-0.4 2,-0.2 -0.971 5.4-153.0-125.4 124.8 -16.8 98.0 10.6 68 108 A L > - 0 0 8 4,-2.5 3,-1.8 -2,-0.5 -44,-0.1 -0.592 25.9-120.9 -90.1 153.8 -14.0 99.9 9.0 69 109 A Q T 3 S+ 0 0 69 -48,-0.4 -1,-0.1 1,-0.3 -47,-0.1 0.777 109.9 67.5 -64.3 -25.4 -11.2 101.5 10.9 70 110 A D T 3 S- 0 0 85 -49,-0.3 -1,-0.3 1,-0.1 -3,-0.0 0.485 122.3-100.7 -75.6 0.8 -12.1 104.8 9.4 71 111 A G S < S+ 0 0 57 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.008 79.3 129.1 110.0 -30.7 -15.4 104.8 11.3 72 112 A R - 0 0 85 -5,-0.1 -4,-2.5 1,-0.0 2,-0.4 -0.270 38.8-159.5 -63.2 144.8 -17.9 103.7 8.7 73 113 A V E -F 67 0B 91 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.990 10.3-177.9-127.8 134.5 -20.3 100.8 9.4 74 114 A F E -F 66 0B 40 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.5 -0.950 28.2-124.7-131.6 152.1 -22.1 98.7 6.7 75 115 A E E -F 65 0B 115 -2,-0.3 2,-0.4 -10,-0.2 18,-0.3 -0.818 35.7-147.6 -92.2 134.1 -24.5 95.9 6.8 76 116 A A E -F 64 0B 6 -12,-3.0 -12,-0.5 -2,-0.5 2,-0.4 -0.842 6.5-143.1-110.8 144.2 -23.1 93.0 4.7 77 117 A L E -G 91 0B 112 14,-2.3 14,-1.6 -2,-0.4 2,-0.5 -0.807 26.4-117.5-100.5 140.7 -24.9 90.4 2.6 78 118 A L E +G 90 0B 84 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.678 30.6 178.9 -80.0 123.5 -23.5 86.9 2.5 79 119 A V E - 0 0 42 10,-2.9 2,-0.3 -2,-0.5 11,-0.2 0.801 57.8 -50.8 -93.2 -36.2 -22.4 85.9 -1.0 80 120 A G E -G 89 0B 17 9,-1.3 9,-3.5 2,-0.0 -1,-0.4 -0.907 44.0-143.0 170.2 162.9 -21.1 82.5 -0.3 81 121 A S E -G 88 0B 40 7,-0.3 2,-0.6 -2,-0.3 7,-0.3 -0.976 12.4-137.1-144.7 155.0 -19.0 80.2 1.8 82 122 A D E >> -G 87 0B 35 5,-2.9 4,-2.3 -2,-0.3 5,-0.9 -0.942 5.1-164.1-119.1 108.6 -16.8 77.2 1.3 83 123 A S T 45S+ 0 0 100 -2,-0.6 -1,-0.2 1,-0.2 -28,-0.0 0.904 88.7 60.0 -54.0 -44.5 -17.1 74.4 4.0 84 124 A L T 45S+ 0 0 155 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.854 120.7 20.3 -54.4 -44.8 -13.8 72.9 2.8 85 125 A T T 45S- 0 0 29 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.542 99.1-123.6-105.6 -9.1 -11.6 75.9 3.4 86 126 A D T <5 + 0 0 32 -4,-2.3 -31,-2.1 1,-0.3 -30,-0.4 0.758 63.9 139.2 72.0 26.4 -13.8 77.7 5.9 87 127 A L E < -EG 54 82B 4 -5,-0.9 -5,-2.9 -33,-0.3 2,-0.3 -0.689 30.5-171.5-100.2 155.7 -13.8 80.9 3.8 88 128 A A E -EG 53 81B 0 -35,-2.2 -35,-2.2 -2,-0.3 2,-0.5 -0.996 14.9-138.9-146.3 146.5 -16.7 83.1 3.2 89 129 A V E -EG 52 80B 2 -9,-3.5 -10,-2.9 -2,-0.3 -9,-1.3 -0.926 18.5-170.7-112.7 130.7 -17.4 86.1 1.0 90 130 A L E -EG 51 78B 0 -39,-3.0 -39,-2.6 -2,-0.5 2,-0.4 -0.722 8.7-148.2-111.5 164.5 -19.3 89.2 2.1 91 131 A K E +EG 50 77B 64 -14,-1.6 -14,-2.3 -2,-0.2 2,-0.3 -0.976 17.1 171.2-140.4 122.8 -20.7 92.1 0.1 92 132 A I - 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