==== 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 ZINC METALLOPROTEASE 08-JUN-95 1KAP . COMPND 2 MOLECULE: ALKALINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR U.BAUMANN,S.WU,K.M.FLAHERTY,D.B.MCKAY . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 1 0 1 1 0 0 1 1 0 0 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 2 0 0 0 0 0 1 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 72 0, 0.0 2,-0.1 0, 0.0 405,-0.1 0.000 360.0 360.0 360.0 154.6 -39.7 35.6 24.3 2 2 P R - 0 0 115 404,-0.1 404,-0.1 1,-0.1 468,-0.0 -0.317 360.0-133.6 -61.1 127.3 -36.8 36.0 21.9 3 3 P S > - 0 0 24 1,-0.1 4,-2.2 466,-0.1 5,-0.1 -0.239 22.7-106.4 -73.0 172.7 -35.5 39.6 21.8 4 4 P D H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.857 120.2 55.7 -69.4 -34.3 -34.8 41.5 18.6 5 5 P A H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.9 46.8 -64.1 -42.5 -31.1 41.2 19.3 6 6 P Y H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.930 111.1 52.5 -65.0 -43.8 -31.3 37.5 19.5 7 7 P T H X S+ 0 0 51 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.890 106.1 53.5 -59.1 -40.9 -33.5 37.4 16.3 8 8 P Q H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 110.5 47.4 -61.8 -40.4 -30.8 39.5 14.4 9 9 P V H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.950 113.6 47.4 -64.5 -50.0 -28.2 36.9 15.4 10 10 P D H X S+ 0 0 57 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.901 111.6 50.8 -58.5 -44.9 -30.4 34.0 14.4 11 11 P N H >< S+ 0 0 101 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.937 113.0 44.8 -61.6 -45.8 -31.3 35.6 11.0 12 12 P F H >< S+ 0 0 11 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.841 105.2 61.0 -69.9 -32.6 -27.7 36.3 10.1 13 13 P L H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 113.1 39.5 -62.0 -24.8 -26.5 32.8 11.2 14 14 P H T X< S+ 0 0 123 -4,-0.9 3,-0.6 -3,-0.7 -1,-0.3 0.131 89.3 123.0-110.4 16.2 -28.9 31.5 8.5 15 15 P A T < S+ 0 0 38 -3,-1.6 295,-0.2 1,-0.2 -3,-0.1 -0.461 73.8 18.1 -77.6 152.3 -28.3 34.1 5.9 16 16 P Y T 3 S- 0 0 55 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.871 86.9-170.5 55.9 41.1 -27.1 32.9 2.4 17 17 P A < - 0 0 81 -3,-0.6 2,-0.3 14,-0.0 -1,-0.2 -0.357 2.9-166.9 -63.9 142.8 -28.3 29.4 3.1 18 18 P R + 0 0 50 11,-0.1 13,-0.2 -2,-0.0 2,-0.1 -0.962 40.3 31.9-131.0 152.3 -27.2 26.7 0.6 19 19 P G + 0 0 21 -2,-0.3 3,-0.3 11,-0.2 11,-0.2 -0.390 59.4 102.7 96.8 179.5 -28.3 23.2 -0.1 20 20 P G S S- 0 0 66 1,-0.2 9,-0.5 -2,-0.1 -1,-0.2 -0.232 77.2 -78.9 95.0 177.7 -31.6 21.4 0.3 21 21 P D S S+ 0 0 157 7,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.201 88.5 101.2-109.0 16.3 -34.2 20.3 -2.2 22 22 P E S S- 0 0 156 -3,-0.3 7,-0.5 1,-0.1 2,-0.2 -0.663 76.0-101.5-100.8 154.1 -36.1 23.5 -2.9 23 23 P L E -A 28 0A 128 -2,-0.2 2,-0.4 5,-0.1 -2,-0.1 -0.533 29.7-168.9 -74.2 140.5 -35.7 25.8 -5.9 24 24 P V E > S-A 27 0A 56 3,-3.2 3,-1.7 -2,-0.2 181,-0.0 -0.984 79.3 -15.5-131.1 113.0 -33.7 29.0 -5.6 25 25 P N T 3 S- 0 0 91 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.861 129.3 -55.9 59.7 34.3 -34.0 31.4 -8.6 26 26 P G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.583 122.9 96.2 75.9 11.6 -35.5 28.5 -10.5 27 27 P H E < S-A 24 0A 13 -3,-1.7 -3,-3.2 -5,-0.0 -1,-0.2 -0.893 81.1 -99.8-131.1 158.6 -32.5 26.3 -9.9 28 28 P P E -A 23 0A 58 0, 0.0 177,-2.8 0, 0.0 2,-0.5 -0.419 41.1-121.4 -71.0 156.8 -31.5 23.6 -7.4 29 29 P S - 0 0 6 -7,-0.5 2,-0.3 -9,-0.5 -11,-0.1 -0.877 27.4-160.9-104.2 131.3 -29.4 24.8 -4.5 30 30 P Y - 0 0 64 -2,-0.5 -11,-0.2 -11,-0.2 176,-0.1 -0.887 13.2-128.9-114.9 146.9 -25.9 23.1 -4.0 31 31 P T > - 0 0 45 -2,-0.3 4,-2.6 -13,-0.2 5,-0.2 -0.277 41.9 -93.7 -78.2 172.2 -23.6 23.0 -1.0 32 32 P V H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.905 127.2 47.7 -56.2 -44.6 -19.9 24.0 -1.3 33 33 P D H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 111.0 49.8 -67.0 -37.6 -18.9 20.3 -1.9 34 34 P Q H > S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.909 112.5 48.0 -67.3 -40.5 -21.7 19.7 -4.5 35 35 P A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.909 107.8 55.5 -65.7 -42.4 -20.6 22.9 -6.4 36 36 P A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.915 107.2 49.6 -58.2 -43.5 -16.9 21.8 -6.2 37 37 P E H < S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.0 51.9 -61.4 -41.0 -17.8 18.5 -7.9 38 38 P Q H >< S+ 0 0 33 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.933 107.8 50.5 -62.3 -44.8 -19.7 20.4 -10.6 39 39 P I H 3< S+ 0 0 0 -4,-2.5 146,-2.1 1,-0.3 3,-0.3 0.797 112.4 49.2 -65.1 -25.9 -16.8 22.7 -11.3 40 40 P L T >< S+ 0 0 25 -4,-1.5 3,-2.0 -5,-0.2 -1,-0.3 0.294 74.6 116.2 -96.8 10.2 -14.5 19.6 -11.7 41 41 P R T < + 0 0 64 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.626 64.3 66.1 -56.6 -20.5 -16.8 17.6 -14.0 42 42 P E T 3 S- 0 0 91 -3,-0.3 -1,-0.3 141,-0.2 3,-0.1 0.725 92.5-143.6 -73.1 -22.9 -14.3 17.6 -17.0 43 43 P Q < + 0 0 177 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.857 48.4 143.9 60.2 39.2 -12.0 15.5 -14.9 44 44 P A + 0 0 4 139,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.895 14.5 144.6-110.4 138.3 -8.9 17.2 -16.4 45 45 P S - 0 0 59 -2,-0.4 2,-0.3 -3,-0.1 138,-0.1 -0.978 50.2 -98.1-162.6 164.6 -5.8 18.0 -14.4 46 46 P W - 0 0 24 136,-0.4 2,-0.4 -2,-0.3 95,-0.0 -0.662 46.7-118.1 -85.0 146.6 -2.0 18.2 -14.6 47 47 P Q - 0 0 162 -2,-0.3 2,-0.2 3,-0.0 -1,-0.0 -0.768 19.2-134.0 -92.4 132.2 -0.3 15.0 -13.4 48 48 P K - 0 0 60 -2,-0.4 3,-0.1 1,-0.1 7,-0.1 -0.590 34.2 -99.1 -79.4 144.1 2.0 15.2 -10.4 49 49 P A > - 0 0 47 5,-0.2 3,-1.4 -2,-0.2 -1,-0.1 -0.318 59.2 -79.2 -58.1 146.6 5.3 13.4 -10.7 50 50 P P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.303 119.0 6.2 -54.0 122.3 5.1 10.0 -9.0 51 51 P G T 3 S+ 0 0 85 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.007 97.4 127.4 94.0 -31.2 5.6 10.6 -5.3 52 52 P D < - 0 0 84 -3,-1.4 -1,-0.3 1,-0.2 -4,-0.1 -0.403 38.3-172.4 -62.7 129.2 5.5 14.4 -5.5 53 53 P S S S+ 0 0 87 -2,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.675 74.1 61.4 -94.1 -20.2 3.0 16.0 -3.2 54 54 P V S S- 0 0 60 55,-0.0 2,-0.5 -5,-0.0 -5,-0.2 -0.920 76.5-144.3-112.3 127.2 3.7 19.4 -4.8 55 55 P L E -b 109 0B 10 53,-2.5 55,-2.8 -2,-0.5 2,-0.5 -0.783 14.6-156.0 -87.2 127.2 3.0 20.1 -8.5 56 56 P T E +b 110 0B 71 -2,-0.5 2,-0.4 53,-0.2 55,-0.2 -0.930 16.2 174.2-109.2 125.1 5.6 22.4 -10.1 57 57 P L E -b 111 0B 5 53,-2.3 55,-2.6 -2,-0.5 2,-0.2 -0.992 16.9-148.0-128.9 137.6 4.5 24.4 -13.2 58 58 P S E -b 112 0B 23 -2,-0.4 64,-2.2 53,-0.2 2,-0.3 -0.630 11.0-160.4 -99.1 163.4 6.5 27.1 -14.9 59 59 P Y E +bc 113 122B 20 53,-2.2 55,-3.0 61,-0.2 56,-0.3 -0.982 9.4 178.3-141.0 152.2 5.1 30.1 -16.8 60 60 P S E - c 0 123B 0 62,-1.9 64,-1.2 -2,-0.3 2,-0.6 -0.975 29.4-119.6-150.2 159.0 6.4 32.5 -19.4 61 61 P F E -bc 116 124B 0 54,-2.2 56,-2.4 -2,-0.3 64,-0.1 -0.930 36.3-121.2-107.0 115.0 5.2 35.4 -21.4 62 62 P L - 0 0 3 62,-1.7 26,-0.4 -2,-0.6 64,-0.1 -0.180 20.6-168.5 -53.3 144.7 5.3 34.8 -25.2 63 63 P T S S+ 0 0 84 1,-0.2 24,-0.2 24,-0.1 -1,-0.1 0.475 72.3 17.7-113.4 -8.2 7.4 37.2 -27.2 64 64 P K S S- 0 0 127 22,-0.1 -1,-0.2 53,-0.0 22,-0.1 -0.964 97.1 -74.1-155.7 162.4 6.1 36.1 -30.7 65 65 P P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.278 46.9-148.3 -61.1 147.1 3.1 34.2 -32.2 66 66 P N > - 0 0 27 -4,-0.0 4,-2.3 1,-0.0 5,-0.2 -0.478 35.2 -84.5-105.7-176.5 3.2 30.5 -31.7 67 67 P D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 78,-0.0 0.896 127.7 50.6 -56.8 -44.2 1.8 27.7 -34.0 68 68 P F H 4 S+ 0 0 1 77,-0.3 -1,-0.2 1,-0.2 6,-0.2 0.947 110.7 49.1 -59.4 -49.8 -1.7 27.9 -32.6 69 69 P F H 4 S+ 0 0 14 1,-0.2 13,-0.4 2,-0.2 -1,-0.2 0.898 112.7 47.7 -57.0 -44.7 -1.8 31.7 -33.0 70 70 P N H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.901 130.4 18.1 -66.0 -41.3 -0.6 31.5 -36.6 71 71 P T >< + 0 0 29 -4,-2.4 3,-2.1 -5,-0.2 4,-0.3 -0.509 67.8 163.9-133.1 68.7 -3.0 28.7 -37.7 72 72 P P G >> S+ 0 0 2 0, 0.0 3,-2.8 0, 0.0 4,-2.5 0.883 73.1 65.5 -49.9 -47.1 -5.9 28.6 -35.1 73 73 P W G 34 S+ 0 0 115 7,-0.4 7,-0.1 1,-0.3 -5,-0.1 0.631 90.0 65.2 -54.1 -19.8 -8.1 26.5 -37.5 74 74 P K G <4 S+ 0 0 144 -3,-2.1 -1,-0.3 -6,-0.2 3,-0.1 0.611 117.9 24.9 -78.4 -12.8 -5.6 23.6 -37.3 75 75 P Y T <4 S+ 0 0 80 -3,-2.8 2,-0.4 1,-0.4 -2,-0.2 0.693 127.7 33.0-118.7 -40.2 -6.5 23.2 -33.7 76 76 P V < - 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