==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-07 3B8J . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.A.GRANT,J.SOHN,R.T.SAUER . 184 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 60.9 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 . 60 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 10 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 3 4 2 1 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 0 217 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.4 -11.0 54.1 -21.7 2 42 A E - 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.369 360.0 -83.8-117.3-165.8 -8.7 51.1 -21.2 3 43 A T - 0 0 133 -2,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.928 33.4-138.4-115.2 120.5 -8.6 47.9 -19.2 4 44 A P - 0 0 103 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.493 32.4-102.3 -71.9 137.9 -7.5 47.6 -15.6 5 45 A A + 0 0 108 -2,-0.2 2,-0.3 2,-0.1 0, 0.0 -0.453 62.6 158.7 -58.0 126.6 -5.3 44.7 -14.6 6 46 A S - 0 0 80 -2,-0.2 3,-0.3 -3,-0.0 -3,-0.0 -0.994 51.2-152.4-158.6 144.8 -7.7 42.4 -12.8 7 47 A Y > + 0 0 107 -2,-0.3 4,-0.8 1,-0.2 -2,-0.1 -0.169 63.1 118.7-108.5 37.0 -8.3 38.8 -11.7 8 48 A N H > + 0 0 72 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.836 64.5 65.3 -70.1 -34.7 -12.0 39.2 -11.9 9 49 A L H > S+ 0 0 69 -3,-0.3 4,-1.4 1,-0.3 5,-0.2 0.937 101.6 49.0 -51.2 -51.2 -12.3 36.5 -14.5 10 50 A A H > S+ 0 0 0 143,-0.3 4,-1.5 1,-0.2 5,-0.4 0.818 109.5 54.5 -59.2 -32.3 -11.1 33.9 -12.1 11 51 A V H X S+ 0 0 31 -4,-0.8 4,-2.3 -3,-0.2 -1,-0.2 0.923 104.1 52.3 -69.1 -44.7 -13.6 35.2 -9.6 12 52 A R H < S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.6 38.6 -63.1 -33.6 -16.7 34.9 -11.8 13 53 A R H < S+ 0 0 119 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.739 128.9 28.4 -91.6 -23.5 -15.9 31.2 -12.6 14 54 A A H >< S+ 0 0 0 -4,-1.5 3,-1.5 -5,-0.2 4,-0.5 0.819 108.4 63.8-103.6 -41.7 -14.7 30.0 -9.2 15 55 A A G >< S+ 0 0 2 -4,-2.3 3,-1.4 -5,-0.4 -3,-0.2 0.826 93.9 60.0 -61.5 -39.7 -16.4 32.2 -6.6 16 56 A P G 3 S+ 0 0 49 0, 0.0 42,-0.5 0, 0.0 -1,-0.3 0.718 103.0 56.7 -61.1 -17.9 -20.1 31.1 -7.3 17 57 A A G < S+ 0 0 1 -3,-1.5 16,-2.2 72,-0.1 2,-0.3 0.640 88.8 89.5 -87.1 -17.0 -18.9 27.6 -6.4 18 58 A V E < -A 32 0A 0 -3,-1.4 40,-0.3 -4,-0.5 2,-0.3 -0.627 65.6-162.2 -85.6 145.0 -17.6 28.6 -3.0 19 59 A V E -A 31 0A 0 12,-2.7 12,-1.9 -2,-0.3 2,-0.4 -0.841 21.8-117.8-134.3 155.6 -20.2 28.4 -0.2 20 60 A N E -AB 30 56A 19 36,-2.2 36,-2.1 -2,-0.3 2,-0.4 -0.795 27.4-153.6 -90.8 136.0 -21.1 29.5 3.3 21 61 A V E -AB 29 55A 2 8,-2.8 8,-1.6 -2,-0.4 2,-0.3 -0.939 14.9-176.5-114.1 132.8 -21.5 26.7 6.0 22 62 A Y E - B 0 54A 87 32,-2.5 32,-1.9 -2,-0.4 24,-0.0 -0.803 26.0-148.8-125.9 165.6 -23.7 27.2 9.0 23 63 A N - 0 0 52 -2,-0.3 29,-1.2 30,-0.2 28,-0.3 0.831 15.0-175.1-101.8 -44.7 -24.7 25.2 12.2 24 64 A R + 0 0 160 1,-0.2 2,-0.6 27,-0.1 29,-0.0 0.855 15.0 171.2 46.5 44.5 -28.3 26.2 13.0 25 65 A G 0 0 25 1,-0.3 -1,-0.2 26,-0.1 -2,-0.1 -0.785 360.0 360.0 -83.6 123.7 -28.3 24.3 16.2 26 66 A L 0 0 205 -2,-0.6 -1,-0.3 -3,-0.1 -2,-0.1 0.290 360.0 360.0 48.0 360.0 -31.6 25.2 17.9 27 ! 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 28 79 A L 0 0 112 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.000 360.0 360.0 360.0 122.3 -19.7 28.9 10.5 29 80 A G E -A 21 0A 10 -8,-1.6 -8,-2.8 80,-0.1 2,-0.3 -0.921 360.0 -77.4-174.6-164.8 -17.1 28.5 7.8 30 81 A S E -A 20 0A 0 116,-1.4 13,-0.4 -2,-0.3 2,-0.3 -0.745 35.1-177.1-116.3 166.9 -16.6 28.1 4.0 31 82 A G E -A 19 0A 0 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.4 -0.930 18.6-128.6-153.0 173.7 -17.0 25.2 1.7 32 83 A V E -AC 18 41A 0 9,-2.4 9,-2.5 -2,-0.3 2,-0.4 -0.958 14.5-134.9-139.7 117.4 -16.6 24.2 -2.0 33 84 A I E - C 0 40A 0 -16,-2.2 57,-2.5 -2,-0.4 7,-0.2 -0.577 26.8-180.0 -67.9 121.8 -19.1 22.5 -4.3 34 85 A M + 0 0 14 5,-3.1 2,-0.3 -2,-0.4 -1,-0.2 0.816 53.0 2.7 -98.1 -36.8 -17.0 19.9 -6.1 35 86 A D S > S- 0 0 27 4,-0.9 3,-1.8 53,-0.1 4,-0.4 -0.953 70.7-100.7-151.0 165.4 -19.4 18.1 -8.5 36 87 A Q T 3 S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.3 50,-0.0 0.808 110.7 74.2 -58.6 -32.1 -22.9 17.9 -9.9 37 88 A R T 3 S- 0 0 136 1,-0.1 46,-0.7 45,-0.1 -1,-0.3 0.706 118.2-106.9 -57.6 -19.3 -23.7 15.0 -7.6 38 89 A G < + 0 0 0 -3,-1.8 43,-2.7 1,-0.3 2,-0.4 0.712 64.4 154.8 100.5 26.2 -23.8 17.6 -4.8 39 90 A Y E - D 0 80A 35 -4,-0.4 -5,-3.1 41,-0.2 -4,-0.9 -0.732 20.4-168.9 -90.3 131.8 -20.6 16.8 -2.9 40 91 A I E -CD 33 79A 0 39,-2.6 39,-3.8 -2,-0.4 2,-0.3 -0.969 11.5-145.7-125.4 134.4 -19.0 19.7 -1.0 41 92 A I E +CD 32 78A 2 -9,-2.5 -9,-2.4 -2,-0.4 2,-0.2 -0.724 34.1 138.9 -95.0 146.6 -15.6 19.9 0.7 42 93 A T E - D 0 77A 0 35,-2.3 35,-1.5 -2,-0.3 2,-0.3 -0.765 47.0 -68.1-157.7-157.3 -15.0 21.8 3.9 43 94 A N E >> - D 0 76A 0 -13,-0.4 4,-1.4 33,-0.2 3,-0.9 -0.890 22.5-136.6-117.8 147.0 -13.2 21.7 7.2 44 95 A K H 3> S+ 0 0 32 31,-2.8 4,-1.4 -2,-0.3 3,-0.2 0.922 104.5 58.9 -61.3 -48.1 -13.5 19.4 10.3 45 96 A H H 34 S+ 0 0 79 30,-0.3 -1,-0.2 1,-0.2 31,-0.1 0.612 107.3 52.0 -62.8 -9.6 -13.2 22.2 12.8 46 97 A V H <4 S+ 0 0 19 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.880 117.2 31.9 -88.3 -47.2 -16.2 23.8 11.1 47 98 A I H >< S+ 0 0 7 -4,-1.4 3,-1.7 -3,-0.2 -2,-0.2 0.313 84.8 127.6-100.0 7.8 -18.7 20.8 11.1 48 99 A N T 3< S+ 0 0 73 -4,-1.4 3,-0.1 1,-0.3 -5,-0.0 -0.464 86.1 2.4 -65.4 132.5 -17.5 19.1 14.4 49 100 A D T 3 S+ 0 0 149 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.750 94.0 170.5 61.7 23.5 -20.4 18.5 16.8 50 101 A A < - 0 0 30 -3,-1.7 -1,-0.2 1,-0.2 3,-0.2 -0.405 24.2-169.6 -64.4 139.6 -22.7 19.9 14.1 51 102 A D S S+ 0 0 115 1,-0.4 2,-0.4 -28,-0.3 -1,-0.2 0.874 77.9 1.5 -91.6 -62.5 -26.4 19.5 14.8 52 103 A Q S S- 0 0 48 -29,-1.2 2,-0.5 14,-0.0 -1,-0.4 -0.995 74.1-143.6-127.3 126.1 -27.8 20.5 11.4 53 104 A I E - E 0 65A 13 12,-0.6 12,-2.7 -2,-0.4 2,-0.5 -0.778 16.8-168.3 -92.9 128.8 -25.5 21.5 8.6 54 105 A I E -BE 22 64A 21 -32,-1.9 -32,-2.5 -2,-0.5 2,-0.4 -0.964 4.3-162.5-123.5 123.4 -26.7 24.3 6.3 55 106 A V E -BE 21 63A 0 8,-2.0 8,-2.6 -2,-0.5 2,-0.4 -0.839 4.3-167.9-103.9 136.8 -25.1 25.3 3.0 56 107 A A E -BE 20 62A 15 -36,-2.1 -36,-2.2 -2,-0.4 6,-0.2 -0.972 6.3-153.9-130.5 121.1 -25.8 28.7 1.3 57 108 A L > - 0 0 10 4,-2.6 3,-1.1 -2,-0.4 -38,-0.1 -0.392 28.3-115.6 -87.4 165.8 -24.8 29.5 -2.3 58 109 A Q T 3 S+ 0 0 90 -42,-0.5 -1,-0.1 -40,-0.3 -41,-0.1 0.628 112.8 65.0 -76.5 -12.4 -24.1 33.0 -3.7 59 110 A D T 3 S- 0 0 88 -43,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.535 122.3-101.6 -87.3 -6.9 -27.1 32.7 -6.0 60 111 A G S < S+ 0 0 61 -3,-1.1 2,-0.2 1,-0.4 -2,-0.1 0.270 77.6 133.8 108.6 -10.0 -29.4 32.6 -2.9 61 112 A R - 0 0 74 -5,-0.0 -4,-2.6 1,-0.0 2,-0.4 -0.485 35.7-162.8 -75.0 143.5 -30.2 28.9 -2.7 62 113 A V E +E 56 0A 94 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.2 -0.985 10.3 177.5-133.4 123.4 -30.0 27.3 0.7 63 114 A F E -E 55 0A 33 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.5 -0.738 31.9-118.3-119.0 166.4 -29.7 23.5 1.4 64 115 A E E -E 54 0A 123 -2,-0.2 18,-0.4 -10,-0.2 -10,-0.3 -0.946 38.4-144.0-102.8 124.9 -29.4 21.2 4.4 65 116 A A E -E 53 0A 8 -12,-2.7 -12,-0.6 -2,-0.5 2,-0.5 -0.612 5.3-142.7 -96.7 148.9 -26.1 19.2 4.1 66 117 A L E -F 80 0A 125 14,-2.6 14,-2.1 -2,-0.2 2,-0.9 -0.911 21.7-125.3-106.4 132.4 -25.3 15.7 5.1 67 118 A L E +F 79 0A 79 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.679 28.2 179.6 -78.8 106.1 -21.9 14.9 6.5 68 119 A V E - 0 0 51 10,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.995 57.2 -52.6 -67.2 -65.0 -20.4 12.1 4.4 69 120 A G E -F 78 0A 16 9,-1.1 9,-3.1 2,-0.0 -1,-0.3 -0.976 47.4-144.9-170.7 162.3 -17.1 11.8 6.2 70 121 A S E -F 77 0A 44 -2,-0.3 2,-0.3 7,-0.3 7,-0.3 -0.743 8.5-140.5-130.2 177.9 -14.1 13.6 7.5 71 122 A D E >> -F 76 0A 48 5,-2.6 4,-1.2 -2,-0.2 5,-0.7 -0.840 1.6-164.8-147.4 102.6 -10.3 13.1 8.0 72 123 A S T 45S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.800 89.6 61.1 -58.3 -31.0 -8.6 14.4 11.2 73 124 A L T 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 57,-0.1 0.962 119.0 23.8 -61.8 -54.5 -5.2 14.0 9.5 74 125 A T T 45S- 0 0 27 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.354 101.6-129.1 -95.6 4.2 -5.8 16.4 6.7 75 126 A D T <5 + 0 0 31 -4,-1.2 -31,-2.8 1,-0.2 -30,-0.3 0.518 63.6 135.7 64.8 4.1 -8.5 18.3 8.6 76 127 A L E < -DF 43 71A 2 -5,-0.7 -5,-2.6 -33,-0.2 2,-0.3 -0.393 34.3-170.3 -84.0 161.0 -10.8 17.9 5.7 77 128 A A E -DF 42 70A 0 -35,-1.5 -35,-2.3 -7,-0.3 2,-0.5 -0.990 12.9-140.3-148.2 148.7 -14.5 17.0 5.7 78 129 A V E -DF 41 69A 3 -9,-3.1 -10,-2.1 -2,-0.3 -9,-1.1 -0.951 16.0-170.0-118.9 127.1 -17.0 16.1 3.0 79 130 A L E -DF 40 67A 0 -39,-3.8 -39,-2.6 -2,-0.5 2,-0.4 -0.683 9.2-148.8-109.1 166.1 -20.7 17.1 2.9 80 131 A K E -DF 39 66A 60 -14,-2.1 -14,-2.6 -2,-0.2 2,-0.3 -0.962 14.4-179.7-141.1 115.0 -23.5 16.1 0.6 81 132 A I - 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