==== 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 29-JUN-07 2QGR . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 169 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 67.5 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 . 57 33.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 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 . 17 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 1 0 0 0 1 0 0 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 5 2 3 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 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 41 A D 0 0 218 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -94.2 52.0 -17.2 -22.3 2 42 A E - 0 0 174 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.239 360.0 -66.6-108.2-163.1 48.2 -17.6 -22.4 3 43 A T - 0 0 133 -2,-0.1 2,-0.3 3,-0.0 -1,-0.0 -0.817 40.1-142.8-100.1 117.2 45.3 -16.1 -20.5 4 44 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.585 33.7-101.7 -73.5 132.1 44.8 -17.0 -16.7 5 45 A A + 0 0 111 -2,-0.3 2,-0.3 2,-0.1 0, 0.0 -0.345 63.0 153.3 -54.7 125.1 41.2 -17.5 -15.6 6 46 A S - 0 0 86 -2,-0.1 3,-0.2 -3,-0.0 -3,-0.0 -0.990 52.5-149.1-156.1 157.7 40.2 -14.2 -13.9 7 47 A Y >> + 0 0 98 -2,-0.3 4,-0.9 1,-0.1 3,-0.7 -0.000 61.3 121.9-116.2 24.9 37.4 -11.9 -12.9 8 48 A N H 3> + 0 0 71 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.801 64.2 67.8 -57.6 -32.1 39.6 -8.8 -13.0 9 49 A L H 34 S+ 0 0 82 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.930 100.5 46.9 -53.4 -49.3 37.3 -7.3 -15.7 10 50 A A H <> S+ 0 0 0 -3,-0.7 4,-0.9 132,-0.3 5,-0.4 0.746 111.6 55.2 -65.6 -23.6 34.5 -7.0 -13.1 11 51 A V H >X S+ 0 0 32 -4,-0.9 4,-2.5 -3,-0.4 3,-0.9 0.967 107.1 43.8 -74.3 -56.0 37.0 -5.5 -10.7 12 52 A R H 3< S+ 0 0 154 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.509 118.2 50.8 -68.3 -1.5 38.3 -2.6 -12.8 13 53 A R H 34 S+ 0 0 118 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.629 127.3 15.0-108.7 -20.9 34.6 -2.0 -13.7 14 54 A A H XX S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.9 4,-0.6 0.674 107.6 74.8-123.6 -37.6 33.1 -1.9 -10.2 15 55 A A G >< S+ 0 0 6 -4,-2.5 3,-1.2 -5,-0.4 41,-0.2 0.834 90.2 61.0 -52.3 -41.2 35.8 -1.6 -7.6 16 56 A P G 34 S+ 0 0 50 0, 0.0 40,-0.6 0, 0.0 -1,-0.3 0.854 102.6 53.3 -54.7 -34.8 36.4 2.2 -8.4 17 57 A A G <4 S+ 0 0 1 -3,-1.4 14,-2.5 70,-0.2 2,-0.4 0.622 90.7 89.1 -79.6 -15.2 32.8 2.9 -7.4 18 58 A V E << -A 30 0A 0 -3,-1.2 38,-0.3 -4,-0.6 12,-0.2 -0.717 61.1-175.5 -86.6 132.2 33.1 1.2 -4.0 19 59 A V E -A 29 0A 0 10,-2.3 10,-1.7 -2,-0.4 2,-0.4 -0.681 23.4-113.7-122.3 174.1 34.3 3.5 -1.2 20 60 A N E -AB 28 54A 16 34,-1.6 34,-1.7 -2,-0.2 2,-0.4 -0.912 23.3-145.1-112.6 138.6 35.3 3.4 2.4 21 61 A V E + B 0 53A 8 6,-2.8 2,-0.2 -2,-0.4 32,-0.2 -0.827 22.5 173.1-106.5 140.8 33.4 5.1 5.2 22 62 A Y E - B 0 52A 115 30,-1.8 30,-1.6 -2,-0.4 2,-0.4 -0.821 27.6-130.8-138.0 174.2 34.9 6.7 8.3 23 63 A N E - B 0 51A 83 -2,-0.2 2,-0.9 28,-0.2 28,-0.2 -0.946 14.1-153.5-135.1 113.6 34.2 8.8 11.4 24 64 A R 0 0 152 26,-1.4 27,-0.0 -2,-0.4 -2,-0.0 -0.746 360.0 360.0 -92.0 101.5 36.3 11.8 12.3 25 65 A G 0 0 84 -2,-0.9 -1,-0.1 24,-0.1 23,-0.1 0.140 360.0 360.0 31.3 360.0 36.2 12.4 16.1 26 ! 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 27 80 A G 0 0 44 0, 0.0 -6,-2.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.7 32.5 0.5 6.9 28 81 A S E -A 20 0A 0 107,-1.2 13,-0.5 -8,-0.2 2,-0.3 -0.711 360.0-179.2-114.8 166.0 31.9 0.2 3.2 29 82 A G E -A 19 0A 0 -10,-1.7 -10,-2.3 -2,-0.2 2,-0.4 -0.978 17.3-134.2-157.4 165.0 29.7 2.2 0.7 30 83 A V E -AC 18 39A 0 9,-1.9 9,-1.9 -2,-0.3 2,-0.7 -0.987 16.3-131.4-133.8 128.0 28.8 2.3 -3.0 31 84 A I E + C 0 38A 0 -14,-2.5 57,-2.9 -2,-0.4 7,-0.2 -0.661 29.1 178.0 -75.7 112.7 28.5 5.2 -5.4 32 85 A M - 0 0 11 5,-2.7 2,-0.2 -2,-0.7 -1,-0.2 0.977 54.1 -0.1 -82.1 -64.5 25.1 4.8 -7.1 33 86 A D S > S- 0 0 39 4,-0.7 3,-1.5 54,-0.1 4,-0.3 -0.742 72.3 -99.9-127.2 172.8 24.7 7.8 -9.4 34 87 A Q T 3 S+ 0 0 95 1,-0.3 50,-0.1 -2,-0.2 -1,-0.0 0.746 110.7 76.4 -63.5 -25.1 26.5 10.9 -10.7 35 88 A R T 3 S- 0 0 121 1,-0.1 46,-0.7 2,-0.1 -1,-0.3 0.772 116.1-108.1 -58.5 -25.6 24.4 13.0 -8.3 36 89 A G < + 0 0 0 -3,-1.5 43,-2.1 1,-0.3 2,-0.4 0.681 64.1 153.1 105.0 24.9 26.7 11.7 -5.5 37 90 A Y E - D 0 78A 33 -4,-0.3 -5,-2.7 41,-0.2 -4,-0.7 -0.727 22.4-166.9 -89.3 133.8 24.4 9.4 -3.7 38 91 A I E -CD 31 77A 0 39,-2.4 39,-3.4 -2,-0.4 2,-0.4 -0.974 11.3-145.3-128.1 122.9 26.0 6.5 -1.8 39 92 A I E +CD 30 76A 2 -9,-1.9 -9,-1.9 -2,-0.4 37,-0.2 -0.703 34.7 145.1 -86.8 132.6 24.4 3.4 -0.3 40 93 A T E - D 0 75A 0 35,-3.1 35,-1.9 -2,-0.4 2,-0.3 -0.646 46.1 -75.0-141.5-161.2 25.8 2.0 2.9 41 94 A N E >> - D 0 74A 0 -13,-0.5 3,-0.6 94,-0.3 4,-0.5 -0.801 24.6-132.6-109.2 153.3 24.7 0.3 6.1 42 95 A K H >> S+ 0 0 44 31,-1.9 3,-1.9 -2,-0.3 4,-1.4 0.937 105.4 57.1 -65.8 -49.3 22.9 1.7 9.1 43 96 A H H 34 S+ 0 0 67 1,-0.3 -1,-0.2 30,-0.2 31,-0.1 0.616 101.8 61.3 -60.6 -10.9 25.1 0.1 11.8 44 97 A V H <4 S+ 0 0 36 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.742 112.2 33.4 -85.7 -26.0 28.0 1.9 10.0 45 98 A I H X< S+ 0 0 13 -3,-1.9 3,-1.1 -4,-0.5 -2,-0.2 0.470 82.4 128.7-110.3 -6.3 26.7 5.4 10.6 46 99 A N T 3< S+ 0 0 91 -4,-1.4 -3,-0.0 1,-0.3 -4,-0.0 -0.331 87.9 2.2 -54.4 122.5 25.0 4.9 14.0 47 100 A D T 3 S+ 0 0 154 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.945 91.4 175.4 61.7 50.5 26.3 7.6 16.3 48 101 A A < - 0 0 42 -3,-1.1 -1,-0.2 1,-0.2 3,-0.2 -0.792 24.7-171.9 -93.3 122.8 28.5 9.2 13.6 49 102 A D S S- 0 0 108 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.920 81.6 -4.7 -74.4 -46.7 30.2 12.4 14.5 50 103 A Q S S- 0 0 73 -28,-0.0 -26,-1.4 2,-0.0 2,-0.4 -0.906 70.8-139.5-152.6 121.0 31.4 13.1 11.0 51 104 A I E -B 23 0A 16 12,-0.4 12,-2.0 -2,-0.3 2,-0.4 -0.664 22.4-171.5 -85.3 130.8 30.9 10.8 7.9 52 105 A I E -BE 22 62A 13 -30,-1.6 -30,-1.8 -2,-0.4 2,-0.4 -0.970 9.4-156.8-127.3 138.9 33.8 10.5 5.5 53 106 A V E -BE 21 61A 0 8,-2.3 8,-2.7 -2,-0.4 2,-0.5 -0.940 5.0-166.7-117.5 134.1 34.1 8.9 2.1 54 107 A A E -BE 20 60A 17 -34,-1.7 -34,-1.6 -2,-0.4 6,-0.2 -0.959 6.8-155.3-125.5 116.9 37.3 7.7 0.4 55 108 A L > - 0 0 11 4,-2.3 3,-0.9 -2,-0.5 -36,-0.1 -0.390 27.8-116.5 -83.0 164.9 37.5 6.7 -3.2 56 109 A Q T 3 S+ 0 0 76 -40,-0.6 -1,-0.1 -38,-0.3 -39,-0.1 0.688 111.9 63.9 -74.5 -18.8 40.1 4.3 -4.7 57 110 A D T 3 S- 0 0 92 -41,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.604 123.0-100.0 -81.6 -11.6 41.6 7.1 -6.8 58 111 A G S < S+ 0 0 57 -3,-0.9 -2,-0.1 1,-0.4 -1,-0.0 0.156 77.2 137.3 114.9 -17.3 42.6 9.0 -3.7 59 112 A R - 0 0 72 -5,-0.1 -4,-2.3 1,-0.0 2,-0.4 -0.321 35.3-159.8 -63.4 142.5 39.8 11.6 -3.5 60 113 A V E +E 54 0A 95 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.986 11.8 177.4-129.0 138.0 38.4 12.2 -0.0 61 114 A F E -E 53 0A 24 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.6 -0.889 32.3-120.7-134.4 161.9 35.0 13.7 0.8 62 115 A E E -E 52 0A 113 -2,-0.3 18,-0.3 -10,-0.2 -10,-0.2 -0.945 39.0-143.3-102.0 122.3 32.7 14.6 3.7 63 116 A A - 0 0 11 -12,-2.0 2,-0.4 -2,-0.6 -12,-0.4 -0.534 3.1-140.4 -92.1 152.0 29.4 12.8 3.3 64 117 A L E -F 78 0A 115 14,-2.2 14,-1.6 -2,-0.2 2,-0.9 -0.923 20.6-122.8-111.1 132.3 25.9 13.9 4.1 65 118 A L E +F 77 0A 86 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.629 29.6 177.4 -76.6 106.8 23.3 11.6 5.7 66 119 A V E - 0 0 42 10,-2.5 2,-0.2 -2,-0.9 -1,-0.2 0.878 57.7 -65.1 -75.7 -40.0 20.4 11.5 3.4 67 120 A G E -F 76 0A 19 9,-1.3 9,-2.8 105,-0.1 -1,-0.3 -0.806 44.2-131.0 159.9 159.1 18.4 8.9 5.4 68 121 A S E -F 75 0A 46 7,-0.2 2,-0.4 -2,-0.2 7,-0.3 -0.847 6.6-141.3-131.2 166.0 18.3 5.4 6.6 69 122 A D E >> -F 74 0A 47 5,-2.8 5,-1.2 -2,-0.3 4,-1.1 -0.877 4.9-163.5-132.4 100.4 16.0 2.4 6.8 70 123 A S T 45S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.752 86.3 64.4 -54.0 -27.3 16.1 0.4 10.0 71 124 A L T 45S+ 0 0 146 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.974 115.6 23.0 -62.4 -58.8 14.3 -2.5 8.3 72 125 A T T 45S- 0 0 12 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.322 103.6-120.7 -94.9 7.0 16.9 -3.4 5.6 73 126 A D T <5 + 0 0 39 -4,-1.1 -31,-1.9 1,-0.2 -30,-0.2 0.766 67.3 141.1 61.3 25.8 19.8 -1.9 7.5 74 127 A L E < -DF 41 69A 4 -5,-1.2 -5,-2.8 -33,-0.3 2,-0.3 -0.656 30.3-175.4-101.7 157.3 20.5 0.4 4.6 75 128 A A E -DF 40 68A 0 -35,-1.9 -35,-3.1 -7,-0.3 2,-0.5 -0.993 15.4-141.1-148.3 149.6 21.5 4.1 4.5 76 129 A V E -DF 39 67A 2 -9,-2.8 -10,-2.5 -2,-0.3 -9,-1.3 -0.958 17.0-169.2-118.3 130.0 22.0 6.7 1.8 77 130 A L E -DF 38 65A 0 -39,-3.4 -39,-2.4 -2,-0.5 2,-0.4 -0.684 8.0-147.7-111.1 167.0 24.8 9.3 1.9 78 131 A K E +DF 37 64A 61 -14,-1.6 -14,-2.2 -41,-0.2 2,-0.3 -0.977 13.8 178.6-142.0 123.9 25.5 12.4 -0.2 79 132 A I - 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