==== 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 19-SEP-07 2RCE . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 1848 25 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1210 65.5 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 . 643 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 29 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 1 0.1 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 . 144 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 9 0 0 9 0 0 0 0 1 6 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 . 9 9 29 18 36 9 0 2 5 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 18 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 38 A D 0 0 181 0, 0.0 3,-0.3 0, 0.0 313,-0.0 0.000 360.0 360.0 360.0 100.6 21.8 110.4 22.4 2 39 A S > + 0 0 16 1,-0.2 3,-0.9 2,-0.1 379,-0.1 0.134 360.0 118.4-101.6 16.9 19.5 108.3 20.2 3 40 A T T 3 S+ 0 0 37 1,-0.3 -1,-0.2 3,-0.0 311,-0.0 0.793 84.2 33.4 -55.3 -36.7 17.5 111.4 19.1 4 41 A D T 3 S+ 0 0 149 -3,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.374 97.0 105.3-103.9 0.5 18.4 110.9 15.4 5 42 A E < - 0 0 66 -3,-0.9 374,-0.1 374,-0.0 -3,-0.0 -0.475 69.7-129.4 -74.9 156.1 18.5 107.1 15.6 6 43 A T - 0 0 120 -2,-0.1 2,-0.1 372,-0.1 -2,-0.1 -0.945 15.8-124.9-114.9 121.1 15.5 105.4 14.0 7 44 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 370,-0.0 -0.428 30.6-107.5 -64.8 136.2 13.5 102.7 15.8 8 45 A A + 0 0 35 -2,-0.1 316,-2.2 316,-0.1 370,-0.3 -0.436 57.9 164.6 -56.5 134.3 13.2 99.3 14.1 9 46 A S B -A 323 0A 46 314,-0.3 314,-0.3 -2,-0.1 3,-0.2 -0.995 52.4-156.0-161.1 146.5 9.5 99.1 13.0 10 47 A Y > + 0 0 27 312,-2.2 4,-1.6 -2,-0.3 3,-0.3 -0.021 63.0 119.0-110.7 25.6 6.9 97.4 10.8 11 48 A N H > + 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.794 66.8 63.0 -59.5 -33.6 4.7 100.6 10.9 12 49 A L H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 105.3 45.3 -55.1 -51.0 5.0 100.9 7.1 13 50 A A H > S+ 0 0 0 150,-0.3 4,-2.4 -3,-0.3 5,-0.4 0.877 112.9 52.4 -59.0 -40.6 3.2 97.5 6.7 14 51 A V H X S+ 0 0 13 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.959 109.6 46.8 -61.2 -52.8 0.7 98.6 9.3 15 52 A R H < S+ 0 0 148 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 117.8 44.6 -57.2 -38.4 -0.1 101.9 7.4 16 53 A R H < S+ 0 0 121 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.862 128.1 20.3 -74.1 -40.9 -0.4 100.0 4.1 17 54 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 -5,-0.2 4,-0.3 0.834 106.0 70.7-104.3 -40.5 -2.5 97.0 5.2 18 55 A A G >< S+ 0 0 5 -4,-2.0 3,-1.5 -5,-0.4 50,-0.2 0.779 89.2 63.2 -58.6 -35.7 -4.4 97.7 8.5 19 56 A P G 3 S+ 0 0 54 0, 0.0 49,-0.5 0, 0.0 -1,-0.3 0.774 103.3 52.2 -60.2 -22.6 -6.9 100.2 7.0 20 57 A A G < S+ 0 0 1 -3,-1.6 23,-3.0 79,-0.2 2,-0.6 0.470 89.7 91.7 -90.1 -5.8 -8.3 97.4 4.8 21 58 A V E < -B 42 0B 1 -3,-1.5 47,-0.3 -4,-0.3 21,-0.2 -0.840 63.7-165.1 -95.5 124.9 -8.8 95.0 7.7 22 59 A V E -B 41 0B 0 19,-2.6 19,-1.7 -2,-0.6 2,-0.5 -0.668 24.0-116.3-111.5 157.4 -12.3 95.2 9.2 23 60 A N E -BC 40 66B 16 43,-2.6 43,-2.6 -2,-0.2 2,-0.5 -0.847 31.6-153.1 -88.5 127.2 -14.1 94.1 12.4 24 61 A V E -BC 39 65B 0 15,-2.4 15,-2.4 -2,-0.5 2,-0.5 -0.909 8.0-164.4-108.5 124.7 -16.8 91.6 11.5 25 62 A Y E -BC 38 64B 36 39,-3.3 39,-2.6 -2,-0.5 2,-0.9 -0.943 12.2-157.0-113.8 121.7 -19.8 91.3 13.8 26 63 A N E -BC 37 63B 3 11,-2.9 10,-3.7 -2,-0.5 11,-0.8 -0.875 25.3-166.8 -89.4 106.4 -22.3 88.5 13.7 27 64 A R E -BC 35 62B 69 35,-3.0 35,-1.7 -2,-0.9 34,-1.6 -0.806 7.9-174.9-102.1 140.6 -25.4 90.1 15.3 28 65 A G E -B 34 0B 5 6,-3.1 6,-3.3 -2,-0.4 2,-0.2 -0.945 36.5 -87.6-134.1 153.4 -28.4 88.1 16.5 29 66 A L 0 0 119 -2,-0.3 4,-0.3 4,-0.2 6,-0.0 -0.392 360.0 360.0 -64.3 125.5 -31.9 89.0 17.9 30 67 A N 0 0 117 -2,-0.2 -1,-0.1 2,-0.0 3,-0.0 -0.671 360.0 360.0 -90.7 360.0 -31.7 89.4 21.7 31 ! 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 32 73 A Q 0 0 189 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -96.6 -33.4 93.4 20.4 33 74 A L + 0 0 44 -4,-0.3 2,-0.3 -3,-0.0 -4,-0.2 -0.911 360.0 169.8-156.1 122.9 -30.1 92.8 18.5 34 75 A E E -B 28 0B 95 -6,-3.3 -6,-3.1 -2,-0.3 2,-0.4 -0.828 39.7 -89.5-132.6 167.6 -26.8 91.8 20.1 35 76 A I E +B 27 0B 76 -2,-0.3 -8,-0.3 -8,-0.3 3,-0.1 -0.684 40.4 168.6 -83.1 127.9 -23.3 90.6 19.1 36 77 A R E + 0 0 115 -10,-3.7 2,-0.3 1,-0.5 -9,-0.2 0.862 65.7 4.2-104.6 -65.6 -23.0 86.8 18.9 37 78 A T E -B 26 0B 47 -11,-0.8 -11,-2.9 19,-0.2 -1,-0.5 -0.910 67.4-163.2-116.6 151.7 -19.7 86.0 17.3 38 79 A L E +B 25 0B 23 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.991 20.4 141.1-134.3 149.4 -17.0 88.4 16.2 39 80 A G E -B 24 0B 0 -15,-2.4 -15,-2.4 -2,-0.3 2,-0.3 -0.705 40.8 -89.7-152.8-154.5 -14.1 88.1 13.9 40 81 A S E -B 23 0B 0 116,-3.0 13,-0.5 -17,-0.3 2,-0.3 -0.765 27.3-166.7-129.0 172.9 -12.1 90.0 11.2 41 82 A G E -BD 22 52B 0 -19,-1.7 -19,-2.6 -2,-0.3 2,-0.5 -0.973 15.9-129.3-156.4 163.9 -12.3 90.5 7.5 42 83 A V E -BD 21 51B 0 9,-2.7 9,-2.4 -2,-0.3 2,-0.6 -0.979 16.4-134.0-126.2 123.8 -10.2 91.9 4.6 43 84 A I E - D 0 50B 0 -23,-3.0 57,-2.3 -2,-0.5 7,-0.2 -0.671 25.4-177.5 -74.8 118.6 -11.4 94.4 2.0 44 85 A M - 0 0 13 5,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.752 54.4 -2.3 -95.2 -31.5 -10.2 92.8 -1.2 45 86 A D S > S- 0 0 33 4,-0.8 3,-1.6 53,-0.1 4,-0.2 -0.961 72.1 -94.8-154.9 174.0 -11.2 95.4 -3.9 46 87 A Q T 3 S+ 0 0 102 -2,-0.3 50,-0.2 1,-0.3 -3,-0.0 0.592 110.9 75.1 -68.4 -13.9 -13.0 98.7 -4.6 47 88 A R T 3 S- 0 0 127 2,-0.1 46,-0.4 45,-0.0 -1,-0.3 0.685 115.7-108.7 -70.9 -18.8 -16.2 96.7 -5.5 48 89 A G < + 0 0 0 -3,-1.6 43,-1.7 1,-0.3 2,-0.4 0.605 64.2 154.0 99.3 17.4 -16.7 96.2 -1.7 49 90 A Y E - E 0 90B 41 41,-0.2 -5,-2.9 -4,-0.2 -4,-0.8 -0.676 21.5-169.0 -83.9 129.0 -15.9 92.5 -1.6 50 91 A I E -DE 43 89B 0 39,-2.3 39,-2.8 -2,-0.4 2,-0.4 -0.959 14.2-144.8-123.1 128.6 -14.6 91.3 1.8 51 92 A I E +DE 42 88B 1 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.2 -0.814 34.4 150.5 -89.6 134.0 -13.0 88.0 2.7 52 93 A T E -DE 41 87B 0 35,-2.7 35,-1.9 -2,-0.4 2,-0.4 -0.749 47.6 -76.7-140.4-168.4 -13.8 86.6 6.2 53 94 A N E >> - E 0 86B 1 -13,-0.5 4,-1.2 103,-0.4 3,-0.7 -0.847 28.5-137.4-101.8 135.9 -14.2 83.3 8.0 54 95 A K H 3> S+ 0 0 42 31,-1.8 4,-1.0 -2,-0.4 -1,-0.1 0.841 103.3 55.4 -59.0 -38.9 -17.3 81.2 7.5 55 96 A H H 34 S+ 0 0 109 30,-0.3 -1,-0.2 1,-0.2 31,-0.1 0.773 102.7 58.5 -68.9 -26.4 -17.6 80.3 11.3 56 97 A V H <4 S+ 0 0 0 -3,-0.7 -19,-0.2 1,-0.2 -1,-0.2 0.909 115.0 33.3 -64.8 -44.7 -17.6 84.0 12.1 57 98 A I H >< S+ 0 0 11 -4,-1.2 3,-1.3 -3,-0.1 -2,-0.2 0.478 86.0 131.7 -95.9 -2.3 -20.7 84.8 10.0 58 99 A N T 3< S- 0 0 48 -4,-1.0 -21,-0.1 1,-0.2 -3,-0.0 -0.226 79.9 -2.8 -57.7 134.7 -22.7 81.5 10.4 59 100 A D T 3 S+ 0 0 162 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.765 90.0 164.0 57.4 31.4 -26.4 81.8 11.3 60 101 A A < - 0 0 29 -3,-1.3 -1,-0.2 1,-0.2 3,-0.2 -0.599 37.2-160.9 -79.7 137.1 -26.2 85.6 11.5 61 102 A D S S+ 0 0 98 -34,-1.6 2,-0.3 1,-0.4 -33,-0.2 0.801 88.5 7.5 -76.2 -32.6 -29.4 87.7 11.5 62 103 A Q E -C 27 0B 37 -35,-1.7 -35,-3.0 -3,-0.1 2,-0.5 -0.981 67.1-148.9-153.2 133.4 -27.2 90.6 10.5 63 104 A I E -CF 26 75B 14 12,-0.6 12,-3.1 -2,-0.3 2,-0.4 -0.934 17.5-166.1-106.1 121.9 -23.6 90.9 9.6 64 105 A I E -CF 25 74B 21 -39,-2.6 -39,-3.3 -2,-0.5 2,-0.5 -0.898 5.0-161.3-109.1 137.3 -21.9 94.2 10.5 65 106 A V E -CF 24 73B 0 8,-3.0 8,-2.9 -2,-0.4 2,-0.5 -0.979 5.7-166.3-117.1 124.7 -18.6 95.4 9.1 66 107 A A E -CF 23 72B 14 -43,-2.6 -43,-2.6 -2,-0.5 6,-0.2 -0.965 7.2-152.3-114.8 125.0 -16.6 98.2 10.9 67 108 A L > - 0 0 9 4,-3.1 3,-1.6 -2,-0.5 -45,-0.1 -0.575 25.7-118.2 -90.7 157.1 -13.7 100.0 9.3 68 109 A Q T 3 S+ 0 0 72 -49,-0.5 -1,-0.1 -47,-0.3 -48,-0.1 0.691 112.6 64.9 -68.1 -19.1 -10.8 101.5 11.2 69 110 A D T 3 S- 0 0 92 -50,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.458 123.8-101.4 -82.6 -2.0 -11.7 105.0 9.8 70 111 A G S < S+ 0 0 59 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.286 77.6 135.8 103.3 -8.6 -15.0 104.7 11.8 71 112 A R - 0 0 79 -5,-0.0 -4,-3.1 1,-0.0 2,-0.4 -0.515 35.6-161.4 -74.3 139.7 -17.4 103.7 9.0 72 113 A V E -F 66 0B 92 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.983 10.5-179.6-125.8 130.7 -19.9 101.0 9.7 73 114 A F E -F 65 0B 32 -8,-2.9 -8,-3.0 -2,-0.4 2,-0.5 -0.951 31.3-122.7-128.3 149.0 -21.7 99.0 7.1 74 115 A E E -F 64 0B 115 -2,-0.3 2,-0.3 -10,-0.2 18,-0.3 -0.810 38.6-146.2 -81.6 128.3 -24.3 96.2 6.9 75 116 A A E -F 63 0B 5 -12,-3.1 -12,-0.6 -2,-0.5 2,-0.4 -0.739 3.9-142.1-100.2 145.7 -22.7 93.4 4.9 76 117 A L E -G 90 0B 118 14,-2.7 14,-1.7 -2,-0.3 2,-0.7 -0.889 22.6-119.5-103.6 138.4 -24.4 91.0 2.6 77 118 A L E +G 89 0B 79 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.676 29.3 179.5 -76.8 114.1 -23.3 87.3 2.4 78 119 A V E - 0 0 39 10,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.880 60.2 -56.0 -79.2 -44.0 -22.1 86.6 -1.2 79 120 A G E -G 88 0B 14 9,-1.3 9,-3.1 2,-0.0 -1,-0.4 -0.940 46.0-136.2 174.6 165.4 -21.2 83.0 -0.5 80 121 A S E -G 87 0B 44 -2,-0.3 2,-0.5 7,-0.3 7,-0.3 -0.979 5.4-147.0-142.3 157.3 -19.1 80.7 1.7 81 122 A D E >> -G 86 0B 36 5,-3.3 4,-1.4 -2,-0.3 5,-1.0 -0.964 4.2-169.6-128.4 112.4 -17.0 77.6 1.2 82 123 A S T 45S+ 0 0 97 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.806 85.8 64.4 -72.8 -29.4 -16.9 74.9 3.9 83 124 A L T 45S+ 0 0 127 1,-0.2 -1,-0.2 3,-0.1 58,-0.2 0.841 121.1 20.9 -59.0 -37.4 -13.9 73.1 2.3 84 125 A T T 45S- 0 0 7 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.472 101.2-125.3-111.6 -6.4 -11.7 76.2 2.8 85 126 A D T <5 + 0 0 12 -4,-1.4 -31,-1.8 1,-0.2 -30,-0.3 0.695 64.2 137.2 66.6 22.0 -13.6 77.9 5.6 86 127 A L E < -EG 53 81B 2 -5,-1.0 -5,-3.3 -33,-0.2 2,-0.3 -0.719 32.2-172.7 -99.7 150.1 -13.8 81.1 3.6 87 128 A A E -EG 52 80B 0 -35,-1.9 -35,-2.7 -2,-0.3 2,-0.4 -0.982 13.3-142.6-136.8 148.0 -16.7 83.4 3.2 88 129 A V E -EG 51 79B 1 -9,-3.1 -10,-2.4 -2,-0.3 -9,-1.3 -0.942 16.3-170.9-114.8 135.1 -17.2 86.5 1.0 89 130 A L E -EG 50 77B 0 -39,-2.8 -39,-2.3 -2,-0.4 2,-0.4 -0.772 9.6-147.9-116.0 164.1 -19.2 89.6 2.1 90 131 A K E +EG 49 76B 66 -14,-1.7 -14,-2.7 -2,-0.3 2,-0.3 -0.995 17.1 174.5-137.5 127.7 -20.3 92.7 0.1 91 132 A I - 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