==== 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 1P03 . 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) . 7920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 66.2 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 . 81 40.3 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 . 9 4.5 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 . 8 4.0 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 0 1 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 3 2 4 2 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,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.8 22.7 11.7 6.5 2 15BA N E -a 74 0A 98 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.858 360.0-137.6 -91.2 126.1 25.9 13.6 6.0 3 16 A I E +a 75 0A 0 71,-3.9 73,-1.8 -2,-0.5 75,-0.3 -0.839 35.1 161.5 -95.7 114.4 26.0 16.2 8.9 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.3 71,-0.1 15,-0.3 -0.939 44.7 -98.5-128.2 144.7 27.2 19.6 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.1 75,-3.1 -2,-0.3 15,-0.2 -0.358 104.2 26.2 -61.0 141.6 26.8 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.5 -1,-0.2 1,-0.3 102,-0.2 0.191 86.7 125.5 94.3 -15.3 23.8 25.1 7.8 7 29 A I < - 0 0 45 -3,-1.3 12,-2.6 97,-0.1 -1,-0.3 -0.367 61.7 -99.3 -80.5 159.4 21.5 22.3 6.5 8 30 A E E +C 18 0B 80 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.382 38.5 169.2 -78.5 149.1 17.9 21.9 7.4 9 31 A Y E -C 17 0B 2 8,-1.9 8,-2.2 -2,-0.1 2,-0.3 -0.962 23.2-137.2-148.0 153.2 16.5 19.5 10.0 10 32 A S E -CD 16 45B 21 35,-2.1 35,-1.8 -2,-0.3 2,-0.5 -0.793 10.0-137.2-113.1 158.3 12.9 19.4 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.6 3,-2.6 -2,-0.3 4,-0.8 -0.978 79.7 -19.4-117.8 125.7 11.9 18.9 15.0 12 34 A N T 34 S- 0 0 86 31,-2.5 -1,-0.2 -2,-0.5 32,-0.1 0.840 117.4 -69.1 45.7 42.3 8.9 16.5 15.9 13 35 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.739 129.2 75.6 53.1 25.8 7.8 16.8 12.3 14 39 A A T <4 S+ 0 0 80 -3,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.536 80.5 40.8-124.5 -82.4 6.9 20.5 12.9 15 40 A S E < -C 11 0B 70 -4,-0.8 -4,-2.6 22,-0.1 2,-0.4 -0.277 63.5-141.6 -71.3 158.7 9.5 23.2 13.2 16 41 A L E +C 10 0B 68 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.931 24.8 162.1-121.8 143.1 12.7 23.7 11.0 17 42 A a E -C 9 0B 5 -8,-2.2 -8,-1.9 -2,-0.4 2,-0.4 -0.829 33.8-106.1-141.9-177.4 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 -0.913 30.4-108.4-117.7 151.8 19.6 24.6 10.8 19 44 A V - 0 0 0 -12,-2.6 -13,-3.5 -2,-0.4 127,-0.9 -0.514 27.8-167.3 -73.6 140.1 22.5 22.4 11.9 20 45 A G - 0 0 0 12,-1.9 2,-0.3 1,-0.3 126,-0.3 0.934 56.7 -25.2 -89.7 -79.0 25.3 24.3 13.7 21 46 A F E -E 32 0B 4 11,-1.0 11,-2.2 -16,-0.1 -1,-0.3 -0.993 56.0-115.7-142.7 138.6 28.4 22.1 14.0 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.532 46.7 164.9 -68.7 138.7 29.2 18.4 14.0 23 48 A V E -EF 30 195B 0 7,-2.8 7,-2.2 172,-0.3 2,-0.3 -0.923 26.8-136.2-148.1 167.5 30.7 17.4 17.4 24 48AA T E -EF 29 194B 48 170,-2.4 170,-2.9 -2,-0.3 2,-0.3 -0.944 5.4-162.0-128.9 158.8 31.5 14.3 19.4 25 48BA R E > S-E 28 0B 112 3,-2.7 3,-2.3 -2,-0.3 2,-0.1 -0.830 73.6 -59.4-133.4 87.7 31.0 13.4 23.1 26 48CA G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.500 123.3 -16.0 66.9-134.8 33.3 10.4 23.7 27 48DA A T 3 S+ 0 0 107 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.453 118.4 104.8 -74.0 -5.0 32.0 7.8 21.2 28 49 A T E < -E 25 0B 54 -3,-2.3 -3,-2.7 40,-0.0 2,-0.3 -0.687 60.6-147.6 -86.0 133.3 28.7 9.7 20.7 29 50 A K E +E 24 0B 63 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.673 32.7 144.0 -92.6 150.0 28.1 11.7 17.5 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.8 38,-0.3 2,-0.3 -0.962 37.9-126.7-166.6 178.3 26.0 14.9 17.7 31 52 A F E -EG 22 67B 0 36,-1.7 36,-2.5 -2,-0.3 2,-0.3 -0.985 21.5-127.5-138.4 150.5 25.5 18.4 16.4 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-1.9 -2,-0.3 -11,-1.0 -0.726 40.7 150.9 -95.4 143.8 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.1 32,-1.6 -2,-0.3 2,-0.3 -0.786 48.9 -54.5-152.2-169.7 22.2 23.9 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.5 30,-0.2 30,-0.3 -0.685 35.9-139.9 -85.4 139.4 19.9 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 -2,-0.3 24,-0.2 0.828 101.4 63.2 -65.0 -34.8 18.1 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 0.639 88.4 74.6 -66.2 -15.1 14.9 27.3 21.2 37 58 A a G < S- 0 0 11 -3,-1.5 2,-0.3 1,-0.1 -1,-0.2 0.720 108.7 -8.1 -69.3 -27.8 14.7 24.7 18.4 38 59 A G < - 0 0 8 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.1 -0.976 61.6-113.4-157.1 167.4 13.5 21.7 20.5 39 62 A T > - 0 0 75 -2,-0.3 3,-3.1 1,-0.2 15,-0.4 -0.708 58.4 -74.1-104.3 162.3 12.9 20.3 24.0 40 63 A V T 3 S+ 0 0 66 1,-0.3 15,-0.2 -2,-0.3 -1,-0.2 -0.223 123.3 18.7 -53.2 142.1 15.0 17.4 25.4 41 64 A N T 3 S+ 0 0 126 13,-3.2 -1,-0.3 1,-0.3 14,-0.1 0.277 87.5 140.8 73.8 -3.6 14.0 14.1 23.7 42 65 A A < - 0 0 3 -3,-3.1 12,-2.1 1,-0.1 2,-0.5 -0.338 55.9-114.7 -63.6 150.2 12.3 15.9 20.7 43 65AA T E - H 0 53B 34 10,-0.2 -31,-2.5 -3,-0.1 -30,-0.4 -0.784 23.5-153.3 -92.4 129.6 13.1 14.0 17.5 44 66 A A E -DH 11 52B 0 8,-2.5 7,-2.3 -2,-0.5 8,-1.3 -0.797 12.1-170.0-101.1 142.3 15.3 15.5 14.7 45 67 A R E -DH 10 50B 51 -35,-1.8 -35,-2.1 -2,-0.3 2,-0.4 -0.961 11.8-160.5-132.3 146.0 14.9 14.4 11.1 46 80 A I E > S- H 0 49B 24 3,-2.6 3,-1.5 -2,-0.4 -37,-0.1 -0.994 83.4 -11.6-127.9 117.2 17.0 15.1 8.0 47 81 A G T 3 S- 0 0 87 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.886 131.4 -54.3 60.6 45.9 15.3 14.6 4.6 48 82 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.372 115.6 112.5 70.0 -0.7 12.5 12.9 6.4 49 83 A A E < S-H 46 0B 55 -3,-1.5 -3,-2.6 1,-0.0 2,-0.2 -0.867 73.5-112.0-107.6 139.9 14.7 10.3 8.2 50 84 A V E +H 45 0B 76 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.490 38.3 169.4 -65.2 128.3 15.2 10.2 12.0 51 85 A V E - 0 0 1 -7,-2.3 19,-2.4 1,-0.4 2,-0.3 0.647 55.5 -57.4-117.0 -26.7 18.8 11.2 12.8 52 86 A G E -HI 44 69B 5 -8,-1.3 -8,-2.5 17,-0.3 -1,-0.4 -0.953 51.1 -91.6 171.3-165.3 18.7 11.6 16.6 53 87 A T E -HI 43 68B 53 15,-1.8 15,-2.4 -2,-0.3 2,-0.3 -0.944 43.4 -88.0-140.3 160.3 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.2 -15,-0.4 13,-0.3 -0.654 38.7-174.8 -65.0 124.6 17.7 16.6 21.6 55 89 A A E - 0 0 36 11,-2.5 2,-0.3 1,-0.4 -1,-0.2 0.685 64.4 -12.4 -92.3 -30.5 20.0 15.5 24.4 56 90 A A E + I 0 66B 20 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.977 63.1 176.1-159.4 157.4 20.1 18.8 26.3 57 91 A R E - I 0 65B 75 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.969 18.4-154.3-162.2 158.1 19.2 22.4 25.9 58 93 A V E - I 0 64B 38 6,-2.4 6,-2.2 -2,-0.3 -23,-0.3 -0.968 25.5-179.0-132.2 120.0 19.0 25.7 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.778 55.0 15.2-169.0 132.5 16.5 28.4 26.6 60 99AA P S S+ 0 0 47 0, 0.0 2,-1.7 0, 0.0 68,-0.2 0.603 120.9 44.4 -81.9-153.6 15.8 31.2 27.4 61 100 A G B S+j 128 0C 33 66,-2.6 68,-2.4 -2,-0.2 2,-0.2 -0.588 136.5 9.4 90.9 -71.0 18.6 32.6 29.7 62 101 A N S S- 0 0 52 -2,-1.7 2,-0.1 66,-0.2 68,-0.1 -0.570 78.7-135.0-119.5-171.1 21.0 31.1 27.1 63 102 A D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.594 53.3 121.3-148.8 78.5 20.0 29.6 23.7 64 103 A R E + I 0 58B 17 -6,-2.2 -6,-2.4 -30,-0.3 2,-0.3 -0.971 23.5 159.0-143.3 156.9 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.1 -2,-0.3 2,-0.3 -0.970 21.4-147.0-163.0 167.5 21.4 22.6 22.5 66 105 A W E -GI 32 56B 8 -10,-1.7 -11,-2.5 -2,-0.3 -10,-1.3 -0.984 12.1-150.0-141.3 144.7 23.1 19.4 21.2 67 106 A V E -GI 31 54B 0 -36,-2.5 -36,-1.7 -2,-0.3 2,-0.4 -0.978 14.5-139.2-113.3 125.8 21.3 16.6 19.4 68 107 A S E -GI 30 53B 29 -15,-2.4 -15,-1.8 -2,-0.5 -38,-0.3 -0.787 24.9-150.5 -89.5 139.2 22.8 13.1 19.9 69 108 A L E - I 0 52B 16 -40,-2.8 -40,-0.5 -2,-0.4 -17,-0.3 -0.637 15.8-101.2-105.1 164.4 22.8 11.2 16.6 70 109 A T > - 0 0 67 -19,-2.4 3,-1.7 -2,-0.2 -1,-0.1 -0.287 40.2-106.1 -74.8 162.0 22.6 7.5 15.7 71 110 A S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.691 113.9 69.8 -59.3 -26.9 25.8 5.7 14.7 72 111 A A T 3 S+ 0 0 78 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.517 77.3 100.2 -75.2 -11.6 24.8 5.7 11.1 73 112 A Q < - 0 0 12 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.358 68.3-136.4 -73.5 150.5 25.2 9.5 10.7 74 113 A T E -a 2 0A 62 -73,-2.3 -71,-3.9 -2,-0.1 2,-0.4 -0.971 14.0-151.1-112.8 113.7 28.4 10.8 9.1 75 114 A L E -a 3 0A 30 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.724 15.4-172.2 -83.6 134.8 29.9 13.8 10.9 76 115 A L E - 0 0 35 -73,-1.8 2,-1.3 -2,-0.4 -54,-0.5 -0.960 31.2-130.4-129.4 146.7 31.9 16.3 8.6 77 116 A P E S+ 0 0 17 0, 0.0 11,-3.1 0, 0.0 2,-0.3 -0.358 74.6 107.5 -83.4 51.9 34.0 19.2 9.6 78 117 A R E - B 0 87A 91 -2,-1.3 -73,-3.1 -75,-0.3 2,-0.4 -0.941 54.8-153.6-139.1 155.7 32.2 21.5 7.1 79 118 A V E -aB 5 86A 0 7,-2.0 7,-2.4 -2,-0.3 -73,-0.2 -0.992 35.7-110.6-125.2 131.6 29.7 24.3 6.8 80 119 A A E + B 0 85A 19 -75,-3.1 2,-0.3 -2,-0.4 5,-0.2 -0.361 33.1 175.4 -67.0 139.3 27.6 24.7 3.6 81 120 A N E > - 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