==== 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/HYDROLASE INHIBITOR 15-APR-93 1ARC . COMPND 2 MOLECULE: ACHROMOBACTER PROTEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER LYTICUS; . AUTHOR Y.KITAGAWA,Y.KATSUBE . 264 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 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 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 5 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 1 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 1 A G 0 0 28 0, 0.0 91,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 177.2 -4.5 -5.7 -9.5 2 2 A V + 0 0 79 89,-0.2 2,-0.3 149,-0.2 89,-0.1 -0.987 360.0 154.4-129.3 140.3 -2.1 -8.3 -8.2 3 3 A S - 0 0 8 85,-0.4 148,-0.0 -2,-0.4 151,-0.0 -0.871 54.5 -49.5-150.9 172.8 -2.1 -10.5 -5.1 4 4 A G > - 0 0 19 -2,-0.3 3,-2.1 1,-0.1 184,-0.1 -0.201 45.4-128.9 -53.6 136.4 -0.6 -13.8 -4.0 5 5 A S T 3 S+ 0 0 42 1,-0.3 79,-3.0 84,-0.1 80,-0.5 0.667 104.0 71.0 -61.5 -18.7 -1.2 -16.7 -6.5 6 6 A a T 3 S+ 0 0 1 77,-0.2 -1,-0.3 78,-0.2 -2,-0.1 0.720 80.7 101.3 -73.5 -16.4 -2.5 -18.9 -3.7 7 7 A N < - 0 0 0 -3,-2.1 2,-0.5 180,-0.1 77,-0.2 -0.212 69.3-130.4 -68.0 161.3 -5.7 -16.7 -3.6 8 8 A I E -A 157 0A 8 149,-0.6 149,-2.6 75,-0.1 74,-0.1 -0.958 12.2-126.1-122.7 124.0 -8.9 -17.8 -5.3 9 9 A D E > -A 156 0A 0 72,-0.5 3,-1.7 -2,-0.5 5,-0.2 -0.319 22.5-126.5 -60.0 139.7 -11.0 -15.8 -7.7 10 10 A V T 3 S+ 0 0 1 145,-1.2 5,-0.2 1,-0.3 -1,-0.1 0.734 107.1 64.3 -63.3 -26.0 -14.7 -15.5 -6.5 11 11 A V T 3 S+ 0 0 51 66,-0.3 -1,-0.3 68,-0.1 69,-0.2 0.615 84.0 99.1 -74.0 -13.3 -15.9 -16.8 -9.9 12 12 A b S X S- 0 0 1 -3,-1.7 3,-2.5 67,-0.1 4,-0.3 -0.135 98.3 -93.1 -66.0 169.9 -14.2 -20.2 -9.3 13 13 A P G > S+ 0 0 89 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.723 120.2 74.7 -57.9 -23.3 -16.2 -23.2 -8.0 14 14 A E G 3 S+ 0 0 66 1,-0.3 -4,-0.1 -5,-0.2 -3,-0.1 0.725 90.7 59.0 -63.5 -18.8 -15.3 -22.2 -4.4 15 15 A G G X S+ 0 0 0 -3,-2.5 3,-2.6 -5,-0.2 -1,-0.3 0.539 77.1 118.6 -84.8 -11.5 -17.8 -19.4 -4.8 16 16 A D T < S+ 0 0 99 -3,-1.7 -4,-0.0 -4,-0.3 -5,-0.0 -0.313 82.0 17.3 -58.3 134.9 -20.7 -21.8 -5.6 17 17 A G T 3 S+ 0 0 57 1,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.344 118.5 72.1 84.2 -8.7 -23.4 -21.5 -2.9 18 18 A R <> + 0 0 58 -3,-2.6 4,-1.8 2,-0.1 -2,-0.2 0.009 53.6 118.8-121.8 21.8 -21.9 -18.1 -1.8 19 19 A R T 4 S+ 0 0 92 2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.579 75.6 54.1 -68.9 -8.3 -23.0 -16.0 -4.8 20 20 A D T >4 S+ 0 0 37 2,-0.1 3,-1.9 -3,-0.1 4,-0.2 0.932 108.8 42.5 -85.6 -63.4 -25.1 -13.8 -2.5 21 21 A I G >> S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.764 103.4 68.5 -56.0 -28.3 -22.5 -12.8 0.1 22 22 A I G >< S+ 0 0 9 -4,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.874 96.8 56.0 -55.9 -35.5 -19.9 -12.2 -2.7 23 23 A R G <4 S+ 0 0 38 -3,-1.9 107,-1.1 -4,-0.2 -1,-0.3 0.436 94.8 65.6 -79.4 0.1 -22.1 -9.3 -3.7 24 24 A A G <4 S+ 0 0 0 -3,-2.0 16,-2.1 105,-0.2 2,-0.3 0.628 85.9 91.1 -92.7 -17.5 -21.9 -7.6 -0.3 25 25 A V E << +J 39 0B 1 -3,-0.9 49,-0.5 -4,-0.5 2,-0.3 -0.652 48.6 172.5 -89.1 135.3 -18.2 -7.0 -0.5 26 26 A G E -JK 38 73B 0 12,-2.5 12,-2.3 -2,-0.3 2,-0.3 -0.932 24.0-136.7-134.3 160.0 -16.5 -3.8 -1.8 27 27 A A E -JK 37 72B 0 45,-2.1 45,-3.0 -2,-0.3 2,-0.3 -0.823 29.6-164.8-106.4 157.1 -12.9 -2.5 -2.0 28 28 A Y E -JK 36 71B 0 8,-2.6 7,-3.1 -2,-0.3 8,-1.2 -0.966 18.8-137.2-147.7 163.3 -12.3 1.2 -1.2 29 29 A S E -JK 34 70B 1 41,-2.4 41,-1.4 -2,-0.3 2,-0.4 -0.817 14.0-146.8-114.7 153.1 -9.9 4.1 -1.4 30 30 A K E > S-J 33 0B 71 3,-3.3 3,-2.6 -2,-0.3 39,-0.1 -0.972 80.8 -17.9-121.1 127.0 -9.1 6.6 1.3 31 31 A S T 3 S- 0 0 83 -2,-0.4 -1,-0.1 34,-0.4 38,-0.1 0.848 134.0 -45.5 39.5 45.3 -8.2 10.2 0.3 32 32 A G T 3 S+ 0 0 65 36,-0.5 2,-0.4 1,-0.2 -1,-0.3 -0.049 119.6 101.1 97.0 -32.6 -7.6 8.9 -3.3 33 33 A T E < S-J 30 0B 99 -3,-2.6 -3,-3.3 1,-0.1 -1,-0.2 -0.729 79.2-107.2-101.8 137.6 -5.5 5.8 -2.5 34 34 A L E +J 29 0B 78 -2,-0.4 -5,-0.3 -5,-0.3 -1,-0.1 -0.302 51.5 156.7 -51.9 129.2 -6.6 2.2 -2.4 35 35 A A E - 0 0 21 -7,-3.1 2,-0.3 1,-0.3 159,-0.2 0.705 39.7 -30.0-128.4 -58.9 -6.8 1.2 1.2 36 36 A c E -J 28 0B 6 -8,-1.2 -8,-2.6 157,-0.1 -1,-0.3 -0.834 51.5 -88.6-151.1-165.0 -9.0 -1.7 2.4 37 37 A T E +J 27 0B 0 157,-2.5 18,-0.4 -2,-0.3 2,-0.3 -0.819 33.0 167.6-116.8 154.1 -12.1 -3.9 2.2 38 38 A G E -J 26 0B 0 -12,-2.3 -12,-2.5 -2,-0.3 2,-0.3 -0.872 13.2-155.6-150.1 179.5 -15.6 -3.5 3.7 39 39 A S E -JL 25 53B 1 14,-1.4 14,-2.6 -2,-0.3 2,-0.3 -0.974 22.7-102.3-161.0 158.5 -19.0 -5.1 3.2 40 40 A L E - L 0 52B 0 -16,-2.1 92,-2.1 90,-0.4 2,-0.4 -0.629 31.1-163.5 -85.9 142.9 -22.7 -4.4 3.6 41 41 A V B -p 132 0C 2 10,-2.0 10,-0.4 -2,-0.3 92,-0.2 -0.946 14.9-128.3-126.0 144.1 -24.7 -5.8 6.5 42 42 A N - 0 0 4 90,-3.9 2,-0.3 -2,-0.4 90,-0.1 -0.297 22.0-152.7 -79.5 171.2 -28.5 -6.2 7.0 43 43 A N > - 0 0 0 -2,-0.1 3,-2.5 88,-0.1 206,-0.2 -0.930 33.4 -95.7-143.3 162.8 -30.3 -4.9 10.1 44 44 A T T 3 S+ 0 0 15 204,-2.5 205,-0.1 -2,-0.3 204,-0.1 0.616 120.0 61.5 -60.7 -14.8 -33.5 -5.8 11.8 45 45 A A T 3 S- 0 0 47 203,-0.1 -1,-0.3 0, 0.0 204,-0.1 0.567 93.5-144.4 -88.0 -5.4 -35.5 -3.1 10.0 46 46 A N < + 0 0 84 -3,-2.5 -2,-0.1 1,-0.1 -4,-0.0 0.829 55.0 135.2 48.6 42.3 -34.7 -4.8 6.6 47 47 A D - 0 0 66 -4,-0.1 -1,-0.1 2,-0.0 -3,-0.1 0.403 68.1-120.4-102.4 -0.2 -34.5 -1.3 5.1 48 48 A R + 0 0 104 1,-0.2 75,-0.4 -5,-0.2 -6,-0.1 0.698 44.2 174.6 68.5 25.1 -31.3 -1.6 2.9 49 49 A K - 0 0 79 1,-0.1 2,-1.8 73,-0.1 -1,-0.2 -0.357 44.6-110.0 -56.8 147.7 -29.5 1.2 4.7 50 50 A M + 0 0 6 69,-0.4 69,-2.8 -10,-0.1 2,-0.8 -0.393 52.1 167.5 -83.9 58.2 -25.9 1.3 3.3 51 51 A Y E - M 0 118B 15 -2,-1.8 -10,-2.0 -10,-0.4 2,-0.6 -0.677 13.0-171.7 -75.9 109.3 -24.3 0.1 6.5 52 52 A F E -LM 40 117B 0 65,-2.5 65,-2.5 -2,-0.8 2,-0.3 -0.934 8.5-153.6-112.5 105.0 -20.7 -0.8 5.4 53 53 A L E +LM 39 116B 4 -14,-2.6 -14,-1.4 -2,-0.6 63,-0.2 -0.662 28.8 149.0 -82.4 132.5 -18.6 -2.6 8.1 54 54 A T E - M 0 115B 0 61,-3.2 61,-1.7 -2,-0.3 2,-0.4 -0.710 46.1 -71.4-145.7-170.3 -14.8 -2.1 7.9 55 55 A A E > - M 0 114B 0 -18,-0.4 3,-1.5 139,-0.3 5,-0.4 -0.831 24.5-140.8 -99.8 137.6 -11.6 -2.0 10.1 56 56 A H G > S+ 0 0 64 57,-0.7 3,-2.7 -2,-0.4 5,-0.4 0.898 100.9 63.2 -56.4 -45.5 -10.8 0.8 12.4 57 57 A H G 3 S+ 0 0 38 1,-0.3 -1,-0.3 56,-0.2 57,-0.1 0.683 88.1 70.4 -60.4 -14.9 -7.1 0.6 11.6 58 58 A c G < S- 0 0 5 -3,-1.5 -1,-0.3 -21,-0.1 -2,-0.2 0.597 106.3-129.4 -75.1 -11.9 -7.9 1.6 8.0 59 59 A G S < S+ 0 0 28 -3,-2.7 3,-0.2 -4,-0.2 -2,-0.1 0.811 71.2 123.2 68.2 43.7 -8.7 5.0 9.4 60 60 A M + 0 0 0 -5,-0.4 6,-0.1 -4,-0.2 9,-0.1 0.340 43.0 104.2-106.9 3.9 -12.2 5.9 8.0 61 61 A G + 0 0 17 -5,-0.4 2,-0.3 -6,-0.1 -1,-0.1 0.077 65.3 80.0 -71.4 18.9 -13.5 6.4 11.5 62 62 A T S > S- 0 0 76 -3,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.942 84.5-121.0-126.6 153.1 -13.5 10.2 11.2 63 63 A A H > S+ 0 0 83 -2,-0.3 4,-1.7 1,-0.2 40,-0.2 0.920 113.4 47.8 -55.1 -46.6 -16.0 12.6 9.5 64 64 A S H > S+ 0 0 100 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.872 116.5 39.7 -70.3 -33.7 -13.3 13.9 7.3 65 65 A T H 4 S+ 0 0 30 2,-0.2 4,-0.4 1,-0.2 -34,-0.4 0.821 113.2 55.0 -82.5 -31.3 -11.8 10.6 6.2 66 66 A A H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 37,-0.5 0.839 103.6 57.0 -67.6 -31.3 -15.2 8.8 5.9 67 67 A A H 3< S+ 0 0 58 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.852 101.3 59.8 -64.8 -34.7 -16.3 11.6 3.5 68 68 A S T 3< S+ 0 0 34 -4,-0.6 -36,-0.5 -3,-0.3 -1,-0.2 0.515 78.4 125.9 -72.1 -15.1 -13.3 10.8 1.3 69 69 A I < - 0 0 0 -3,-0.9 33,-2.3 -4,-0.4 2,-0.4 -0.166 38.4-169.7 -59.1 140.4 -14.3 7.2 0.5 70 70 A V E -KN 29 101B 38 -41,-1.4 -41,-2.4 31,-0.2 2,-0.4 -0.998 13.1-157.8-126.1 120.1 -14.6 5.7 -2.9 71 71 A V E -KN 28 100B 0 29,-3.0 29,-1.5 -2,-0.4 2,-0.5 -0.873 2.0-157.0-104.3 137.4 -16.2 2.3 -3.0 72 72 A Y E -KN 27 99B 37 -45,-3.0 -45,-2.1 -2,-0.4 3,-0.4 -0.975 11.6-163.6-117.0 115.8 -15.6 -0.1 -5.9 73 73 A W E +KN 26 98B 2 25,-2.8 25,-0.5 -2,-0.5 -47,-0.1 -0.683 66.5 13.9-100.2 152.1 -18.3 -2.8 -6.4 74 74 A N S S+ 0 0 42 -49,-0.5 2,-0.9 -2,-0.3 21,-0.4 0.790 74.9 158.3 54.4 38.8 -18.0 -6.0 -8.5 75 75 A Y + 0 0 10 -3,-0.4 80,-2.3 19,-0.1 2,-0.3 -0.840 25.2 119.9 -94.2 101.2 -14.2 -5.7 -8.8 76 76 A Q - 0 0 44 -2,-0.9 19,-0.4 78,-0.3 80,-0.1 -0.981 69.9 -80.3-159.4 157.0 -13.1 -9.3 -9.6 77 77 A N - 0 0 7 78,-0.4 -66,-0.3 -2,-0.3 15,-0.0 -0.340 35.8-136.6 -60.6 140.6 -11.4 -11.4 -12.3 78 78 A S S S+ 0 0 86 2,-0.0 2,-0.3 -67,-0.0 -1,-0.1 0.768 85.8 33.1 -70.3 -27.8 -13.8 -12.2 -15.2 79 79 A T S S- 0 0 86 -67,-0.0 2,-0.6 0, 0.0 -67,-0.1 -0.891 95.1 -95.0-130.5 152.8 -12.6 -15.9 -15.3 80 80 A b - 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