==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYROLASE INHIBITOR 03-JUL-01 1JIW . COMPND 2 MOLECULE: ALKALINE METALLOPROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.HEGE,R.E.FELTZER,R.D.GRAY,U.BAUMANN . 575 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 51 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 1 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 10 0 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 PARALLEL BRIDGES PER LADDER . 7 2 2 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 2 0 1 0 1 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 P G 0 0 85 0, 0.0 405,-0.1 0, 0.0 404,-0.1 0.000 360.0 360.0 360.0 166.2 46.3 39.9 11.3 2 2 P R - 0 0 158 404,-0.1 404,-0.1 1,-0.1 2,-0.0 -0.264 360.0-130.4 -54.4 130.2 48.6 39.1 8.4 3 3 P S > - 0 0 24 1,-0.1 4,-2.3 466,-0.1 5,-0.2 -0.289 21.0-108.8 -77.8 167.2 50.8 42.1 7.7 4 4 P D H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 121.2 56.6 -63.1 -37.1 51.3 43.6 4.2 5 5 P A H > S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 107.4 46.5 -60.8 -44.4 54.8 42.1 4.2 6 6 P Y H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.940 111.3 52.2 -63.8 -45.7 53.5 38.6 4.8 7 7 P T H X S+ 0 0 51 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.863 105.9 54.2 -59.2 -37.7 50.8 39.0 2.1 8 8 P Q H X S+ 0 0 77 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.927 110.8 46.7 -63.0 -42.8 53.5 40.1 -0.4 9 9 P V H X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.969 114.1 46.4 -61.2 -55.1 55.4 36.9 0.3 10 10 P D H X S+ 0 0 45 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.911 112.5 51.7 -55.7 -44.4 52.4 34.7 0.1 11 11 P N H < S+ 0 0 102 -4,-2.9 3,-0.4 -5,-0.2 -1,-0.2 0.907 111.7 44.0 -62.9 -43.0 51.2 36.4 -3.1 12 12 P F H >< S+ 0 0 5 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.829 105.5 61.7 -73.8 -28.6 54.5 36.1 -5.0 13 13 P L H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 111.8 41.2 -63.2 -26.6 55.0 32.5 -3.9 14 14 P H T >< S+ 0 0 123 -4,-1.0 3,-0.6 -3,-0.4 -1,-0.3 0.249 91.7 122.3-103.5 10.0 51.7 31.8 -5.8 15 15 P A T < S+ 0 0 38 -3,-1.4 295,-0.2 1,-0.2 -3,-0.1 -0.365 71.8 15.9 -74.4 154.4 52.6 34.0 -8.8 16 16 P Y T 3 S- 0 0 55 1,-0.2 -1,-0.2 293,-0.1 -4,-0.0 0.873 85.9-168.9 52.3 44.1 52.6 32.7 -12.3 17 17 P A < + 0 0 83 -3,-0.6 2,-0.3 2,-0.0 -1,-0.2 -0.343 10.0 173.6 -65.5 141.7 50.7 29.5 -11.3 18 18 P R + 0 0 48 11,-0.1 14,-0.1 1,-0.1 13,-0.1 -0.979 46.4 46.4-147.0 156.7 50.6 26.7 -13.8 19 19 P G S S+ 0 0 22 -2,-0.3 12,-0.2 1,-0.2 -1,-0.1 0.395 70.1 142.0 93.9 -3.4 49.4 23.1 -14.0 20 20 P G - 0 0 45 10,-0.2 9,-0.5 1,-0.1 -1,-0.2 -0.056 60.5-116.8 -64.4 173.2 46.0 23.6 -12.4 21 21 P D S S+ 0 0 170 7,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.751 89.2 82.8 -84.4 -25.5 42.8 21.8 -13.5 22 22 P E S S- 0 0 166 1,-0.1 7,-0.4 6,-0.1 -3,-0.1 -0.421 90.6 -94.8 -79.6 156.1 40.9 24.9 -14.6 23 23 P L - 0 0 128 5,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.311 31.5-157.1 -68.5 151.3 41.5 26.6 -18.0 24 24 P V B > S-A 27 0A 50 3,-3.6 3,-1.8 1,-0.1 181,-0.1 -0.993 77.1 -12.1-133.0 121.6 43.9 29.5 -18.4 25 25 P N T 3 S- 0 0 89 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.833 129.9 -56.3 56.4 33.7 43.4 32.0 -21.3 26 26 P G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 0, 0.0 -3,-0.1 0.622 123.3 98.8 75.3 12.5 41.0 29.5 -22.8 27 27 P H B < S-A 24 0A 14 -3,-1.8 -3,-3.6 -5,-0.1 -1,-0.3 -0.888 82.6 -99.6-128.7 157.9 43.6 26.8 -22.7 28 28 P P - 0 0 61 0, 0.0 177,-2.5 0, 0.0 2,-0.5 -0.487 42.0-121.9 -72.6 153.0 44.4 23.9 -20.4 29 29 P S - 0 0 9 -9,-0.5 2,-0.3 -7,-0.4 -11,-0.1 -0.870 28.4-155.0-100.7 126.6 47.2 24.7 -18.0 30 30 P Y - 0 0 50 -2,-0.5 -11,-0.2 -11,-0.0 -10,-0.2 -0.741 11.0-130.1-105.0 149.2 50.3 22.4 -18.2 31 31 P T > - 0 0 57 -2,-0.3 4,-2.3 -12,-0.2 5,-0.2 -0.360 41.4 -98.5 -81.2 170.6 53.0 21.5 -15.6 32 32 P V H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.924 126.2 49.5 -57.5 -44.8 56.6 21.8 -16.8 33 33 P D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 109.6 50.0 -63.6 -41.5 56.6 18.0 -17.4 34 34 P Q H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.0 50.2 -63.7 -39.7 53.4 18.0 -19.4 35 35 P A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 109.4 51.9 -63.9 -40.8 54.8 20.9 -21.5 36 36 P A H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.915 109.3 48.5 -62.6 -44.7 58.0 18.9 -22.1 37 37 P E H < S+ 0 0 103 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.909 111.6 51.2 -61.8 -41.9 56.1 15.8 -23.2 38 38 P Q H >< S+ 0 0 30 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.907 106.6 52.7 -61.9 -44.1 54.0 18.0 -25.6 39 39 P I H 3< S+ 0 0 0 -4,-2.4 146,-2.0 1,-0.3 3,-0.3 0.766 112.7 46.4 -63.6 -24.7 57.1 19.6 -27.1 40 40 P L T >< S+ 0 0 20 -4,-1.2 3,-2.6 -3,-0.3 -1,-0.3 0.276 75.8 119.0-100.6 10.1 58.5 16.1 -27.8 41 41 P R T < + 0 0 58 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.693 67.3 60.8 -50.3 -28.0 55.3 14.7 -29.3 42 42 P E T 3 S- 0 0 100 -3,-0.3 -1,-0.3 141,-0.2 -2,-0.1 0.617 97.4-140.0 -77.6 -10.9 56.8 13.9 -32.7 43 43 P Q < + 0 0 172 -3,-2.6 2,-0.3 1,-0.2 -2,-0.1 0.809 46.0 152.3 56.6 35.5 59.2 11.5 -31.0 44 44 P A + 0 0 5 139,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.710 10.3 141.6 -94.6 147.2 62.1 12.6 -33.2 45 45 P S - 0 0 37 -2,-0.3 2,-0.3 95,-0.2 138,-0.1 -0.977 47.8 -98.3-173.2 165.0 65.7 12.4 -31.9 46 46 P W - 0 0 22 136,-0.4 2,-0.5 -2,-0.3 9,-0.1 -0.713 33.8-131.7 -93.2 147.7 69.3 11.6 -32.8 47 47 P Q - 0 0 144 -2,-0.3 2,-0.1 1,-0.0 -2,-0.0 -0.864 25.1-114.9-101.7 131.7 70.8 8.2 -31.9 48 48 P K - 0 0 107 -2,-0.5 7,-0.1 1,-0.1 3,-0.1 -0.409 38.1-106.2 -64.7 136.9 74.1 8.2 -30.1 49 49 P A > - 0 0 49 5,-0.2 3,-2.2 7,-0.1 2,-0.3 -0.292 41.7 -91.5 -64.3 148.2 76.9 6.7 -32.2 50 50 P P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.453 116.3 24.4 -64.1 121.1 78.1 3.2 -31.2 51 51 P G T 3 S+ 0 0 84 1,-0.4 2,-0.4 -2,-0.3 -2,-0.1 0.267 97.0 114.1 107.5 -10.2 81.0 3.6 -28.9 52 52 P D < - 0 0 62 -3,-2.2 -1,-0.4 1,-0.1 3,-0.1 -0.807 49.0-164.8 -98.3 134.1 80.0 7.0 -27.7 53 53 P S S S+ 0 0 117 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.669 83.7 34.5 -86.2 -19.3 78.9 7.6 -24.1 54 54 P V S S- 0 0 23 -5,-0.1 -1,-0.2 56,-0.0 -5,-0.2 -0.998 98.6 -96.1-138.6 138.9 77.4 10.9 -25.1 55 55 P L E -b 109 0B 8 53,-0.8 55,-2.8 -2,-0.4 2,-0.5 -0.306 41.8-162.1 -54.3 123.4 75.7 12.1 -28.2 56 56 P T E +b 110 0B 48 53,-0.2 2,-0.4 -2,-0.1 55,-0.2 -0.955 11.4 178.0-116.8 121.9 78.3 13.8 -30.4 57 57 P L E -b 111 0B 3 53,-2.0 55,-2.4 -2,-0.5 2,-0.2 -0.983 15.0-150.0-127.1 130.9 77.2 16.1 -33.2 58 58 P S E -b 112 0B 22 -2,-0.4 64,-2.0 53,-0.2 63,-0.5 -0.594 12.5-159.8 -93.5 158.2 79.4 18.1 -35.6 59 59 P Y E +bc 113 122B 25 53,-2.2 55,-3.0 61,-0.2 2,-0.3 -0.984 10.3 177.5-138.1 148.7 78.3 21.5 -37.1 60 60 P S E - c 0 123B 0 62,-2.0 64,-1.3 -2,-0.3 2,-0.6 -0.973 28.4-122.7-147.5 160.4 79.5 23.4 -40.1 61 61 P F E -bc 116 124B 0 54,-1.9 56,-1.7 -2,-0.3 64,-0.1 -0.926 36.3-119.6-110.9 111.8 78.7 26.6 -42.0 62 62 P L - 0 0 2 62,-1.6 26,-0.4 -2,-0.6 64,-0.1 -0.097 19.5-166.4 -48.2 142.4 77.8 26.1 -45.6 63 63 P T S S+ 0 0 79 1,-0.3 24,-0.2 24,-0.1 -1,-0.1 0.554 75.3 4.1-105.2 -17.3 80.1 27.9 -48.1 64 64 P K S S- 0 0 141 22,-0.1 -1,-0.3 0, 0.0 22,-0.1 -0.956 100.6 -60.4-157.8 168.2 77.7 27.3 -51.1 65 65 P P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.225 49.3-147.9 -56.6 144.0 74.3 25.8 -51.8 66 66 P N > - 0 0 12 -4,-0.0 4,-2.3 -3,-0.0 5,-0.2 -0.391 39.5 -81.3-100.4-175.2 73.8 22.1 -50.9 67 67 P D H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 78,-0.1 0.908 129.8 52.1 -55.4 -45.2 71.6 19.6 -52.7 68 68 P F H 4 S+ 0 0 0 77,-0.3 -1,-0.2 1,-0.2 6,-0.2 0.934 110.2 46.9 -57.6 -50.3 68.5 20.8 -50.9 69 69 P F H 4 S+ 0 0 18 1,-0.2 13,-0.4 2,-0.2 -1,-0.2 0.894 112.1 51.2 -60.8 -41.2 69.1 24.5 -51.7 70 70 P N H < S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.899 131.4 12.6 -64.4 -42.3 69.7 23.7 -55.4 71 71 P T >< + 0 0 31 -4,-2.2 3,-1.5 -5,-0.2 4,-0.3 -0.567 69.2 163.3-137.4 71.7 66.6 21.7 -55.9 72 72 P P G >> S+ 0 0 1 0, 0.0 4,-3.2 0, 0.0 3,-2.5 0.864 71.7 68.0 -55.7 -41.5 64.2 22.2 -52.8 73 73 P W G 34 S+ 0 0 122 1,-0.3 7,-0.1 7,-0.3 -5,-0.1 0.671 91.5 62.6 -55.1 -20.6 61.2 20.8 -54.7 74 74 P K G <4 S+ 0 0 133 -3,-1.5 -1,-0.3 -6,-0.2 3,-0.1 0.628 119.5 23.2 -81.5 -13.6 62.9 17.3 -54.7 75 75 P Y T <4 S+ 0 0 75 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.634 131.1 35.4-121.2 -31.1 62.8 17.2 -50.9 76 76 P V >< - 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