==== 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 24-APR-89 1P04 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 41.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 0 0 0 1 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 . 2 0 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 PARALLEL BRIDGES PER LADDER . 2 2 3 3 3 3 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 1 0 0 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 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 15AA A 0 0 52 0, 0.0 73,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 152.9 22.6 11.8 6.5 2 15BA N E -a 74 0A 99 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.864 360.0-134.6 -92.4 124.1 25.8 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.6 73,-1.4 -2,-0.5 2,-0.4 -0.797 36.8 163.6 -87.3 108.7 26.0 16.2 8.8 4 17 A V E > - 0 0 11 -2,-0.8 3,-1.3 71,-0.1 15,-0.3 -0.977 43.2-104.0-124.5 143.2 27.0 19.6 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.0 75,-3.7 -2,-0.4 15,-0.2 -0.314 104.4 24.9 -62.0 135.6 26.8 23.1 9.2 6 19 A G T 3 S+ 0 0 5 13,-3.0 -1,-0.2 1,-0.3 102,-0.2 0.206 87.5 126.8 100.6 -18.6 23.8 25.0 7.7 7 29 A I < - 0 0 44 -3,-1.3 12,-2.4 97,-0.1 -1,-0.3 -0.305 61.6 -99.5 -77.0 153.2 21.5 22.3 6.5 8 30 A E E +C 18 0B 78 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.417 38.8 170.6 -75.3 151.2 17.9 21.9 7.4 9 31 A Y E -C 17 0B 1 8,-1.6 8,-2.4 37,-0.1 2,-0.3 -0.928 21.3-140.2-153.1 146.0 16.5 19.6 10.0 10 32 A S E -CD 16 45B 19 35,-2.1 35,-1.8 -2,-0.3 2,-0.5 -0.735 9.4-137.1-111.2 161.9 12.9 19.4 11.4 11 33 A I E >> S-CD 15 44B 7 4,-2.1 3,-2.1 -2,-0.3 4,-0.8 -0.986 79.5 -19.6-124.0 120.7 11.8 18.9 15.0 12 34 A N T 34 S- 0 0 87 31,-2.5 -1,-0.1 -2,-0.5 32,-0.1 0.853 118.0 -67.2 49.6 41.9 8.9 16.5 15.9 13 35 A N T 34 S+ 0 0 122 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.678 129.8 75.4 53.6 25.9 7.7 16.9 12.2 14 39 A A T <4 S+ 0 0 74 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.514 79.3 40.4-121.5 -93.0 6.9 20.5 12.9 15 40 A S E < -C 11 0B 71 -4,-0.8 -4,-2.1 22,-0.1 2,-0.4 -0.218 63.1-142.0 -63.5 159.6 9.6 23.3 13.2 16 41 A L E +C 10 0B 67 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.946 25.3 161.9-121.2 146.5 12.6 23.7 11.0 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-1.6 -2,-0.4 2,-0.3 -0.871 33.9-103.8-148.0 177.0 16.1 24.8 12.2 18 43 A S E -C 8 0B 0 125,-3.2 16,-0.3 -2,-0.3 -10,-0.2 -0.873 31.2-107.8-111.3 148.5 19.7 24.6 10.8 19 44 A V - 0 0 0 -12,-2.4 -13,-3.0 -2,-0.3 127,-0.8 -0.473 28.8-167.6 -71.9 137.2 22.5 22.4 11.8 20 45 A G - 0 0 0 12,-1.7 2,-0.3 125,-0.3 126,-0.3 0.921 56.3 -26.1 -83.9 -84.7 25.2 24.3 13.7 21 46 A F E -E 32 0B 4 11,-1.0 11,-2.5 -16,-0.1 2,-0.3 -0.995 55.0-116.6-146.0 136.5 28.4 22.1 14.0 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.4 -2,-0.3 9,-0.3 -0.517 47.1 165.7 -67.0 132.8 29.2 18.4 14.0 23 48 A V E -EF 30 195B 0 7,-2.6 7,-1.9 -2,-0.3 2,-0.3 -0.884 25.3-138.7-142.6 171.7 30.7 17.5 17.4 24 48AA T E -EF 29 194B 48 170,-2.3 170,-2.9 -2,-0.3 2,-0.2 -0.930 7.6-164.2-136.2 160.9 31.4 14.4 19.4 25 48BA R E > S-E 28 0B 112 3,-2.1 3,-1.6 1,-0.4 2,-0.2 -0.781 74.0 -56.0-142.9 83.2 31.1 13.4 23.1 26 48CA G T 3 S- 0 0 69 1,-0.3 -1,-0.4 -2,-0.2 168,-0.1 -0.520 123.0 -18.3 71.5-140.2 33.2 10.3 23.6 27 48DA A T 3 S+ 0 0 108 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.477 117.0 106.9 -72.1 -3.4 31.9 7.7 21.0 28 49 A T E < -E 25 0B 56 -3,-1.6 -3,-2.1 40,-0.0 2,-0.2 -0.682 60.8-145.3 -86.5 129.5 28.6 9.7 20.6 29 50 A K E +EG 24 69B 63 40,-0.5 40,-2.5 -2,-0.4 2,-0.3 -0.617 32.9 144.8 -89.4 149.6 28.0 11.7 17.5 30 51 A G E -EG 23 68B 0 -7,-1.9 -7,-2.6 38,-0.3 2,-0.3 -0.968 37.4-131.4-165.6-178.5 26.1 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.3 36,-2.2 -9,-0.3 2,-0.3 -0.985 24.4-125.5-145.3 146.3 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.5 -12,-1.7 -2,-0.3 -11,-1.0 -0.734 40.7 155.3 -95.8 145.8 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.6 32,-1.7 -2,-0.3 2,-0.3 -0.807 46.3 -61.3-150.7-170.3 22.2 23.9 17.6 34 55 A A > - 0 0 0 -16,-0.3 3,-1.3 30,-0.3 4,-0.3 -0.721 35.2-138.0 -90.0 136.9 19.9 26.5 19.2 35 56 A G G > S+ 0 0 0 23,-0.4 3,-1.0 -2,-0.3 24,-0.2 0.789 100.8 64.9 -64.0 -37.8 18.0 25.6 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 23,-0.1 0.728 88.4 74.9 -63.1 -21.2 14.8 27.3 21.3 37 58 A a G < S- 0 0 10 -3,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.789 109.6 -10.4 -62.9 -36.8 14.7 24.7 18.4 38 59 A G < - 0 0 7 -3,-1.0 2,-0.2 -4,-0.3 -1,-0.1 -0.988 60.3-117.6-155.5 165.4 13.6 21.7 20.6 39 62 A T > - 0 0 76 -2,-0.3 3,-2.8 1,-0.2 15,-0.4 -0.686 61.0 -65.8-102.9 161.5 13.0 20.4 24.1 40 63 A V T 3 S+ 0 0 73 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.068 123.9 15.2 -48.3 142.9 14.9 17.4 25.5 41 64 A N T 3 S+ 0 0 119 13,-3.1 -1,-0.3 1,-0.2 14,-0.1 0.375 85.3 143.8 65.2 3.4 14.0 14.2 23.6 42 65 A A < - 0 0 4 -3,-2.8 12,-1.9 1,-0.1 2,-0.5 -0.354 55.3-111.2 -65.5 154.6 12.3 15.9 20.6 43 65AA T E - H 0 53B 33 10,-0.2 -31,-2.5 -3,-0.1 -30,-0.4 -0.744 25.3-153.5 -91.8 126.7 13.1 14.0 17.4 44 66 A A E -DH 11 52B 0 8,-2.6 7,-1.9 -2,-0.5 8,-1.2 -0.786 13.9-171.6 -96.4 139.4 15.4 15.6 14.7 45 67 A R E -DH 10 50B 50 -35,-1.8 -35,-2.1 -2,-0.3 2,-0.4 -0.967 12.5-158.3-134.5 149.4 14.9 14.5 11.1 46 80 A I E > S- H 0 49B 25 3,-2.2 3,-2.4 -2,-0.4 -37,-0.1 -1.000 81.4 -17.4-131.9 121.1 17.0 15.2 8.0 47 81 A G T 3 S- 0 0 80 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.894 131.2 -50.7 49.1 53.7 15.3 14.9 4.6 48 82 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.178 115.5 108.7 74.6 -11.4 12.6 12.9 6.2 49 83 A A E < S-H 46 0B 57 -3,-2.4 -3,-2.2 1,-0.0 2,-0.2 -0.755 73.7-109.7-102.4 146.2 14.8 10.3 8.1 50 84 A V E +H 45 0B 77 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.556 40.0 166.1 -71.3 133.4 15.3 10.2 11.9 51 85 A V E - 0 0 1 -7,-1.9 19,-2.6 1,-0.5 2,-0.3 0.621 56.2 -50.2-119.2 -36.2 18.8 11.2 12.9 52 86 A G E -HI 44 69B 4 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.5 -0.932 48.4-103.3-178.9-167.0 18.7 11.8 16.6 53 87 A T E -HI 43 68B 50 15,-1.4 15,-2.1 -2,-0.3 2,-0.4 -0.882 45.7 -86.3-138.6 162.0 16.9 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-1.9 -13,-3.1 -15,-0.4 13,-0.3 -0.649 36.8-173.3 -72.1 126.2 17.7 16.5 21.6 55 89 A A E - 0 0 36 11,-2.0 2,-0.3 -2,-0.4 12,-0.2 0.742 65.6 -12.7 -89.3 -32.5 20.0 15.4 24.5 56 90 A A E + I 0 66B 22 10,-1.2 10,-1.4 -17,-0.1 -1,-0.3 -0.971 61.1 173.5-164.1 156.2 20.1 18.7 26.3 57 91 A R E - I 0 65B 76 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.993 18.9-151.5-163.7 161.2 19.2 22.5 25.9 58 93 A V E - I 0 64B 39 6,-2.2 6,-2.3 -2,-0.3 -23,-0.4 -0.960 26.0-178.8-140.9 118.4 19.0 25.8 27.8 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.791 55.2 17.6-168.8 129.1 16.5 28.4 26.6 60 99AA P S S+ 0 0 48 0, 0.0 2,-2.2 0, 0.0 68,-0.2 0.512 121.3 42.2 -81.9-151.3 15.8 31.1 27.5 61 100 A G B S+j 128 0C 36 66,-3.1 68,-2.0 -2,-0.2 2,-0.2 -0.521 136.5 11.0 88.9 -70.8 18.6 32.6 29.7 62 101 A N S S- 0 0 50 -2,-2.2 2,-0.2 66,-0.2 68,-0.1 -0.637 78.2-135.9-120.0-174.0 21.0 31.1 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.587 52.3 120.5-145.2 78.4 20.0 29.6 23.7 64 103 A R E + I 0 58B 18 -6,-2.3 -6,-2.2 -30,-0.3 2,-0.3 -0.951 23.5 159.6-143.4 161.1 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.6 -2,-0.3 2,-0.3 -0.933 21.2-147.9-168.0 165.0 21.4 22.6 22.5 66 105 A W E -GI 32 56B 6 -10,-1.4 -11,-2.0 -2,-0.3 -10,-1.2 -0.977 12.5-150.2-140.8 141.6 23.1 19.4 21.2 67 106 A V E -GI 31 54B 0 -36,-2.2 -36,-1.3 -2,-0.3 2,-0.4 -0.971 14.5-140.2-108.3 127.6 21.3 16.6 19.4 68 107 A S E -GI 30 53B 27 -15,-2.1 -15,-1.4 -2,-0.4 -38,-0.3 -0.816 24.3-151.0 -92.7 138.0 22.9 13.1 19.9 69 108 A L E -GI 29 52B 13 -40,-2.5 -40,-0.5 -2,-0.4 -17,-0.3 -0.643 17.1-100.1-103.1 160.8 22.7 11.2 16.6 70 109 A T > - 0 0 67 -19,-2.6 3,-1.7 -2,-0.2 -1,-0.1 -0.240 42.7-103.5 -69.5 162.3 22.5 7.5 15.7 71 110 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.772 114.0 73.3 -54.1 -31.8 25.8 5.8 14.7 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.544 75.0 98.2 -65.1 -14.1 24.7 5.8 11.1 73 112 A Q < - 0 0 11 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.419 69.0-137.9 -78.8 150.6 25.3 9.6 10.7 74 113 A T E -a 2 0A 61 -73,-1.6 -71,-3.6 -2,-0.1 2,-0.4 -0.984 15.5-148.6-107.8 106.3 28.5 10.8 9.1 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.692 16.9-169.1 -80.4 138.7 29.9 13.8 10.9 76 115 A L E - 0 0 33 -73,-1.4 2,-1.6 -2,-0.4 -54,-0.5 -0.973 29.5-133.2-130.9 142.4 31.8 16.3 8.7 77 116 A P E S+ 0 0 16 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.345 74.0 106.2 -84.9 54.6 34.0 19.3 9.6 78 117 A R E - B 0 87A 93 -2,-1.6 -73,-3.0 -75,-0.3 2,-0.4 -0.962 55.3-152.5-139.1 157.7 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-1.9 7,-2.1 -2,-0.3 -73,-0.2 -0.991 35.1-109.0-127.7 131.5 29.7 24.3 6.7 80 119 A A E + B 0 85A 19 -75,-3.7 2,-0.2 -2,-0.4 5,-0.2 -0.362 34.6 173.1 -65.0 134.9 27.5 24.8 3.6 81 120 A N E > - 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