==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-04 1VCW . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.WILKEN,K.KITZING,R.KURZBAUER,M.EHRMANN,T.CLAUSEN . 873 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 66.3 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 . 248 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 115 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 6 0 0 0 0 0 0 3 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 9 15 10 9 3 0 2 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 . 11 0 0 0 0 5 1 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 42 A M 0 0 150 0, 0.0 755,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.1 69.4 -21.5 -16.6 2 43 A T - 0 0 113 753,-0.0 3,-0.1 3,-0.0 2,-0.0 -0.988 360.0-111.0-128.4 138.7 71.6 -20.2 -13.8 3 44 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 699,-0.1 -0.376 38.7-100.8 -69.5 148.4 70.3 -18.6 -10.6 4 45 A A + 0 0 35 697,-0.1 697,-2.2 696,-0.1 751,-0.3 -0.451 61.6 159.6 -63.0 136.7 70.9 -14.9 -10.2 5 46 A S B -A 700 0A 45 695,-0.3 695,-0.3 -2,-0.1 3,-0.2 -0.990 53.4-151.7-166.2 153.1 73.8 -14.6 -7.8 6 47 A Y >> + 0 0 22 693,-2.7 4,-1.8 -2,-0.3 3,-0.7 0.065 62.9 118.4-111.4 22.6 76.6 -12.5 -6.4 7 48 A N H 3> + 0 0 22 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.838 66.6 64.8 -57.8 -32.7 78.8 -15.5 -5.6 8 49 A L H 3> S+ 0 0 55 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 103.8 47.2 -57.2 -42.3 81.5 -14.2 -8.0 9 50 A A H <>>S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 5,-0.5 0.920 111.8 50.7 -64.6 -43.2 81.9 -11.3 -5.8 10 51 A V H X5S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.942 111.1 47.7 -60.4 -47.6 82.0 -13.6 -2.8 11 52 A R H <5S+ 0 0 152 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.931 115.0 45.8 -59.6 -46.6 84.7 -15.8 -4.4 12 53 A R H <5S+ 0 0 108 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.748 130.2 16.7 -70.6 -26.3 86.8 -12.8 -5.4 13 54 A A H >X5S+ 0 0 0 -4,-2.0 3,-2.2 -5,-0.2 4,-0.5 0.736 101.4 79.5-119.8 -30.0 86.7 -11.0 -2.2 14 55 A A G >< S+ 0 0 77 -2,-0.3 2,-0.9 8,-0.2 3,-0.8 0.865 94.7 53.8 -89.3 -44.4 95.5 -9.7 29.7 26 67 A N T 3 S+ 0 0 143 1,-0.2 -1,-0.2 5,-0.2 7,-0.1 -0.236 76.8 102.3 -87.4 47.0 93.7 -8.0 32.6 27 68 A T T 3 S+ 0 0 57 -2,-0.9 2,-0.3 5,-0.5 -1,-0.2 0.686 88.4 25.6 -97.6 -25.1 90.3 -9.3 31.6 28 69 A N S X S- 0 0 34 -3,-0.8 3,-1.2 4,-0.3 -1,-0.1 -0.841 84.0-109.9-132.5 168.7 90.3 -12.0 34.3 29 70 A S T 3 S+ 0 0 102 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.794 118.0 57.1 -71.8 -25.8 92.0 -12.5 37.7 30 71 A H T 3 S- 0 0 134 2,-0.1 -1,-0.3 -3,-0.0 -4,-0.1 0.305 105.1-136.9 -85.9 8.9 94.3 -15.2 36.3 31 72 A N < + 0 0 104 -3,-1.2 2,-0.3 1,-0.1 -5,-0.2 0.851 48.4 146.7 29.7 73.4 95.4 -12.6 33.8 32 73 A Q - 0 0 126 -7,-0.4 2,-0.6 -8,-0.1 -5,-0.5 -0.820 62.5 -78.5-122.7 164.3 95.5 -14.7 30.7 33 74 A L - 0 0 51 -2,-0.3 2,-0.3 -7,-0.1 -8,-0.2 -0.538 57.5-179.1 -70.4 113.1 94.6 -13.5 27.2 34 75 A E E -B 24 0B 89 -10,-2.9 -10,-1.9 -2,-0.6 2,-1.9 -0.872 38.4-105.1-116.2 153.0 90.9 -13.2 27.0 35 76 A I E +B 23 0B 93 -2,-0.3 -12,-0.2 -12,-0.2 -13,-0.1 -0.503 41.4 172.5 -77.9 75.9 88.8 -12.2 24.0 36 77 A R E - 0 0 105 -2,-1.9 2,-0.2 -14,-0.6 -1,-0.2 0.791 66.6 -23.6 -52.7 -35.7 87.7 -8.7 25.2 37 78 A T E -B 22 0B 50 -15,-1.8 -15,-0.7 -3,-0.1 2,-0.3 -0.831 60.6-155.7-157.1-166.5 86.2 -8.0 21.8 38 79 A L E +B 21 0B 32 -17,-0.2 -17,-0.2 -2,-0.2 2,-0.2 -0.873 16.3 152.3 177.3 150.2 86.2 -8.9 18.1 39 80 A G E -B 20 0B 3 -19,-2.9 -19,-2.6 -2,-0.3 2,-0.3 -0.725 40.4 -78.3-157.2-152.0 85.5 -7.6 14.7 40 81 A S E -B 19 0B 0 120,-3.2 13,-0.5 -21,-0.3 2,-0.3 -0.832 31.6-165.1-127.9 163.0 86.5 -8.0 11.1 41 82 A G E -BD 18 52B 0 -23,-1.9 -23,-3.6 -2,-0.3 2,-0.6 -0.992 16.8-131.1-149.8 154.1 89.4 -6.8 8.9 42 83 A V E -BD 17 51B 0 9,-1.8 9,-2.6 -2,-0.3 2,-0.8 -0.937 19.7-134.2-113.3 117.5 90.4 -6.5 5.3 43 84 A I E - D 0 50B 0 -27,-2.3 57,-2.4 -2,-0.6 7,-0.3 -0.583 26.2-172.7 -69.0 108.9 93.8 -7.8 4.2 44 85 A M - 0 0 13 5,-2.6 2,-0.3 -2,-0.8 6,-0.2 0.817 55.3 -3.7 -76.2 -39.8 94.9 -4.8 2.0 45 86 A D S > S- 0 0 36 4,-0.9 3,-1.8 53,-0.1 4,-0.4 -0.966 74.4 -96.9-150.9 168.0 98.2 -6.0 0.3 46 87 A Q T 3 S+ 0 0 131 -2,-0.3 50,-0.1 1,-0.3 47,-0.1 0.502 108.1 77.8 -71.3 1.2 100.5 -8.9 0.3 47 88 A R T 3 S- 0 0 135 2,-0.1 -1,-0.3 45,-0.1 46,-0.3 0.692 118.0-100.0 -80.4 -16.7 102.9 -7.3 2.8 48 89 A G S < S+ 0 0 0 -3,-1.8 43,-2.2 1,-0.3 2,-0.5 0.535 70.1 150.7 111.0 9.7 100.5 -8.2 5.5 49 90 A Y E - E 0 90B 39 -4,-0.4 -5,-2.6 41,-0.2 -4,-0.9 -0.669 20.8-174.8 -82.2 123.9 98.7 -4.9 6.1 50 91 A I E -DE 43 89B 0 39,-2.0 39,-3.0 -2,-0.5 -7,-0.2 -0.941 12.3-147.1-117.5 134.3 95.1 -5.3 7.3 51 92 A I E +DE 42 88B 0 -9,-2.6 -9,-1.8 -2,-0.4 2,-0.3 -0.675 30.8 145.3 -98.5 159.0 92.6 -2.5 7.8 52 93 A T E -DE 41 87B 0 35,-1.6 35,-3.9 -2,-0.2 2,-0.3 -0.970 50.0 -67.6-172.9 177.3 90.0 -2.5 10.5 53 94 A N E >> - E 0 86B 0 -13,-0.5 3,-1.3 -2,-0.3 4,-0.9 -0.658 31.1-140.5 -85.2 140.3 88.1 -0.3 12.9 54 95 A K H >> S+ 0 0 36 31,-1.3 4,-1.6 -2,-0.3 3,-0.7 0.947 100.6 66.1 -62.0 -46.5 89.9 1.3 15.8 55 96 A H H 34 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.2 31,-0.1 0.480 99.5 56.8 -58.1 4.6 87.1 0.7 18.2 56 97 A V H <4 S+ 0 0 3 -3,-1.3 -1,-0.2 29,-0.1 -2,-0.2 0.822 113.7 31.4-100.7 -46.0 87.9 -3.0 17.7 57 98 A I H X< S+ 0 0 1 -4,-0.9 3,-1.7 -3,-0.7 -2,-0.2 0.408 83.9 137.4 -94.9 0.8 91.5 -3.1 18.7 58 99 A N T 3< S- 0 0 55 -4,-1.6 3,-0.1 1,-0.3 -3,-0.0 -0.145 81.5 -5.3 -50.2 141.9 91.5 -0.3 21.3 59 100 A D T 3 S+ 0 0 137 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.732 92.0 162.2 42.3 34.1 93.5 -1.0 24.5 60 101 A A < - 0 0 25 -3,-1.7 -36,-0.2 1,-0.2 -1,-0.2 -0.714 35.2-160.3 -86.1 122.0 94.1 -4.6 23.2 61 102 A D S S+ 0 0 95 -2,-0.5 2,-0.3 -38,-0.2 -37,-0.2 0.754 83.6 7.8 -70.1 -22.0 97.0 -6.4 24.9 62 103 A Q E -C 23 0B 27 -39,-1.4 -39,-2.2 -3,-0.0 2,-0.4 -0.980 65.7-150.5-151.8 160.2 97.1 -8.7 21.9 63 104 A I E -C 22 0B 6 -2,-0.3 12,-3.6 12,-0.3 2,-0.5 -0.944 10.4-167.7-139.9 116.4 95.5 -8.9 18.5 64 105 A I E -CF 21 74B 25 -43,-2.2 -43,-2.6 -2,-0.4 2,-0.4 -0.901 1.4-165.7-109.1 135.6 94.8 -12.2 16.7 65 106 A V E -CF 20 73B 0 8,-2.9 8,-3.6 -2,-0.5 2,-0.4 -0.925 5.9-168.2-114.3 136.6 93.8 -12.3 13.0 66 107 A A E -CF 19 72B 14 -47,-1.8 -47,-1.9 -2,-0.4 6,-0.2 -0.994 8.9-144.0-131.9 134.5 92.4 -15.5 11.5 67 108 A L > - 0 0 10 4,-3.0 3,-2.3 -2,-0.4 -49,-0.1 -0.553 25.5-118.6 -94.5 158.7 91.9 -16.3 7.8 68 109 A Q T 3 S+ 0 0 86 -53,-0.4 -1,-0.1 -51,-0.4 -52,-0.1 0.686 116.2 63.3 -65.7 -16.0 89.1 -18.3 6.1 69 110 A D T 3 S- 0 0 88 -54,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.317 122.7-107.6 -89.1 6.9 91.8 -20.6 5.0 70 111 A G S < S+ 0 0 56 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.223 73.0 137.6 92.2 -14.7 92.5 -21.4 8.7 71 112 A R - 0 0 77 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.442 37.2-155.7 -71.5 136.6 95.8 -19.6 9.2 72 113 A V E -F 66 0B 94 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.936 12.1-176.0-116.2 134.4 96.0 -17.7 12.4 73 114 A F E -F 65 0B 33 -8,-3.6 -8,-2.9 -2,-0.4 2,-0.5 -0.924 27.9-128.7-130.7 154.6 98.3 -14.7 13.0 74 115 A E E -F 64 0B 137 -2,-0.3 2,-0.4 -10,-0.2 18,-0.4 -0.833 37.9-140.4 -93.7 132.7 99.4 -12.4 15.8 75 116 A A - 0 0 13 -12,-3.6 2,-0.5 -2,-0.5 -12,-0.3 -0.816 7.5-143.9-106.9 140.8 99.0 -8.8 14.6 76 117 A L E -G 90 0B 105 14,-2.5 14,-1.1 -2,-0.4 2,-0.7 -0.805 23.1-130.3 -95.5 129.6 101.1 -5.8 15.2 77 118 A L E +G 89 0B 71 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.721 27.3 178.0 -82.4 113.6 99.2 -2.6 15.5 78 119 A V E - 0 0 28 10,-2.5 2,-0.2 -2,-0.7 11,-0.2 0.516 57.2 -50.0 -95.5 -2.8 100.7 -0.0 13.2 79 120 A G E -G 88 0B 5 9,-0.6 9,-3.5 131,-0.0 -1,-0.3 -0.618 44.5-150.6 147.2 152.9 98.3 2.8 13.9 80 121 A S E -G 87 0B 35 131,-0.4 133,-0.6 7,-0.3 2,-0.3 -0.764 7.5-147.1-138.0-178.2 94.8 4.1 14.3 81 122 A D E >>> -G 86 0B 13 5,-1.1 4,-1.5 -2,-0.2 3,-0.9 -0.892 5.8-156.3-158.3 124.1 92.7 7.2 13.9 82 123 A S T 345S+ 0 0 86 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.943 89.8 67.3 -69.1 -46.9 89.7 8.3 15.9 83 124 A L T 345S+ 0 0 66 1,-0.3 -1,-0.2 2,-0.1 60,-0.2 0.456 121.8 18.2 -55.7 1.1 88.2 10.6 13.3 84 125 A T T <45S- 0 0 10 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.395 94.7-126.6-146.6 -13.8 87.5 7.6 11.1 85 126 A D T <5 + 0 0 30 -4,-1.5 -31,-1.3 -3,-0.4 2,-0.4 0.806 62.2 142.3 65.5 27.2 87.7 4.6 13.4 86 127 A L E < -EG 53 81B 1 -5,-0.9 -5,-1.1 -33,-0.3 2,-0.4 -0.827 27.6-177.0-101.5 140.4 90.2 3.0 11.1 87 128 A A E -EG 52 80B 0 -35,-3.9 -35,-1.6 -2,-0.4 2,-0.6 -0.988 17.0-142.1-134.5 143.9 93.1 1.0 12.4 88 129 A V E -EG 51 79B 1 -9,-3.5 -10,-2.5 -2,-0.4 -9,-0.6 -0.922 20.4-176.7-113.6 115.4 95.9 -0.6 10.4 89 130 A L E -EG 50 77B 0 -39,-3.0 -39,-2.0 -2,-0.6 2,-0.3 -0.450 10.7-151.4 -97.4 173.0 97.3 -4.0 11.6 90 131 A K E -EG 49 76B 48 -14,-1.1 -14,-2.5 -41,-0.2 2,-0.3 -0.879 7.7-171.4-152.5 114.8 100.1 -6.1 10.2 91 132 A I - 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