==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 30-OCT-96 1TAL . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR S.D.RADER,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 70.2 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 . 80 40.4 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 . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.1 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 . 1 3 2 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 2 0 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,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 156.8 22.6 11.5 6.4 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.799 360.0-137.7 -88.4 126.5 25.7 13.6 5.9 3 16 A I E +a 75 0A 0 71,-3.4 73,-1.2 -2,-0.5 2,-0.4 -0.756 34.7 160.8 -93.8 109.3 25.9 16.2 8.7 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.978 43.9-102.8-129.0 137.0 27.0 19.7 7.3 5 18 A G E 3 S+a 79 0A 0 73,-3.0 75,-3.1 -2,-0.4 15,-0.2 -0.303 103.2 25.9 -59.8 139.7 26.5 23.0 9.0 6 19 A G T 3 S+ 0 0 4 13,-3.2 -1,-0.2 1,-0.3 102,-0.1 0.133 87.8 127.8 95.7 -18.0 23.7 25.1 7.6 7 31 A I < - 0 0 46 -3,-1.5 12,-2.4 11,-0.1 -1,-0.3 -0.299 61.6-102.0 -76.8 154.9 21.5 22.3 6.3 8 32 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.403 39.1 170.4 -74.3 144.4 17.8 21.9 7.2 9 33 A Y E -C 17 0B 1 8,-2.0 8,-2.5 -2,-0.1 2,-0.3 -0.967 23.3-132.8-146.9 150.8 16.4 19.5 9.8 10 34 A S E -CD 16 45B 17 35,-2.3 35,-1.9 -2,-0.3 2,-0.5 -0.773 9.1-139.4-105.5 156.8 12.9 19.1 11.3 11 35 A I E >> S-CD 15 44B 10 4,-2.5 3,-2.1 -2,-0.3 4,-0.7 -0.969 80.7 -21.0-119.0 119.2 11.9 18.7 14.9 12 36 A N T 34 S- 0 0 85 31,-2.7 -1,-0.2 -2,-0.5 32,-0.1 0.850 118.2 -65.7 49.1 43.1 9.1 16.3 15.8 13 38 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.677 129.7 73.7 55.8 24.4 7.8 16.6 12.2 14 39 A A T <4 S+ 0 0 75 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.566 78.2 41.1-126.6 -90.9 7.0 20.2 12.8 15 40 A S E < -C 11 0B 76 -4,-0.7 -4,-2.5 22,-0.1 2,-0.4 -0.253 65.0-139.6 -68.2 156.6 9.5 23.1 13.1 16 41 A L E +C 10 0B 66 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.931 26.6 162.4-117.4 139.8 12.5 23.5 10.9 17 42 A a E -C 9 0B 5 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.4 -0.834 33.1-106.2-139.2-176.5 16.0 24.7 12.0 18 43 A S E -C 8 0B 0 125,-3.1 16,-0.3 -2,-0.3 -10,-0.2 -0.916 31.9-107.4-121.5 144.2 19.5 24.6 10.6 19 44 A V - 0 0 0 -12,-2.4 -13,-3.2 -2,-0.4 127,-1.0 -0.443 25.3-164.7 -67.3 136.3 22.5 22.4 11.7 20 44AA G - 0 0 0 12,-2.1 2,-0.3 125,-0.3 126,-0.3 0.903 57.6 -30.0 -84.1 -80.1 25.2 24.3 13.6 21 45 A F E -E 32 0B 1 11,-0.9 11,-2.2 -16,-0.1 -1,-0.3 -1.000 54.6-109.5-147.2 145.7 28.3 22.0 13.7 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.513 48.9 166.9 -67.2 134.1 29.2 18.3 13.6 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.0 172,-0.2 2,-0.3 -0.924 26.7-139.3-143.9 166.5 30.6 17.3 17.1 24 48 A T E -EF 29 194B 49 170,-2.3 170,-2.5 -2,-0.3 2,-0.3 -0.923 5.0-165.0-126.8 154.1 31.5 14.2 19.0 25 48AA R E > S-E 28 0B 125 3,-2.4 3,-2.0 -2,-0.3 2,-0.3 -0.792 72.8 -61.0-136.5 87.8 31.0 13.3 22.7 26 48BA G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.541 121.1 -15.9 68.3-130.4 33.2 10.3 23.2 27 48CA A T 3 S+ 0 0 107 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.596 117.8 102.8 -79.5 -11.7 31.9 7.7 20.9 28 49 A T E < -E 25 0B 60 -3,-2.0 -3,-2.4 1,-0.0 2,-0.3 -0.580 62.7-145.8 -80.8 130.2 28.6 9.6 20.4 29 50 A K E +EG 24 69B 63 40,-0.5 40,-2.8 -2,-0.3 2,-0.3 -0.651 33.9 141.5 -88.7 148.5 28.0 11.5 17.2 30 51 A G E -EG 23 68B 0 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.3 -0.957 38.8-125.9-167.8 179.0 26.0 14.8 17.3 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.9 -2,-0.3 2,-0.3 -0.986 21.6-129.2-140.9 140.7 25.5 18.3 16.1 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-2.1 -2,-0.3 -11,-0.9 -0.665 38.9 150.6 -85.5 151.2 25.1 21.6 18.0 33 54 A T E - G 0 65B 0 32,-2.4 32,-1.7 -2,-0.3 2,-0.3 -0.841 48.7 -55.3-158.7-171.4 22.2 23.8 17.3 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 -2,-0.2 30,-0.3 -0.626 36.5-135.3 -83.9 143.6 20.0 26.4 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.3 -2,-0.3 24,-0.2 0.826 102.7 63.6 -64.8 -33.7 18.1 25.5 22.2 36 57 A H G 3 S+ 0 0 57 1,-0.2 -1,-0.2 22,-0.2 3,-0.1 0.619 88.3 74.8 -68.0 -9.0 14.9 27.1 20.9 37 58 A a G < S- 0 0 7 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.709 109.2 -11.3 -75.4 -23.0 14.8 24.6 18.1 38 59 A G < - 0 0 9 -3,-1.3 2,-0.2 -4,-0.3 -1,-0.2 -0.985 59.2-114.6-171.9 161.6 13.7 21.7 20.3 39 59AA T > - 0 0 75 -2,-0.3 3,-2.3 1,-0.1 15,-0.3 -0.589 58.4 -70.1 -99.1 161.9 13.1 20.2 23.7 40 59BA V T 3 S+ 0 0 69 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.294 122.3 15.8 -55.1 134.2 14.9 17.2 25.2 41 60 A N T 3 S+ 0 0 121 13,-3.1 -1,-0.3 1,-0.3 14,-0.1 0.290 88.0 145.5 81.6 -6.1 14.1 13.9 23.4 42 61 A A < - 0 0 3 -3,-2.3 12,-2.5 12,-0.1 2,-0.5 -0.369 52.6-114.2 -60.8 141.1 12.5 15.7 20.4 43 62 A T E - H 0 53B 33 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.4 -0.697 24.1-153.1 -85.8 126.0 13.2 13.8 17.2 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.7 -2,-0.5 8,-1.2 -0.792 12.2-170.8 -98.8 137.2 15.4 15.3 14.5 45 65 A R E -DH 10 50B 57 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.975 10.1-175.8-128.9 142.2 14.9 14.4 10.8 46 66 A I E > S- H 0 49B 24 3,-2.3 3,-1.9 -2,-0.4 -37,-0.1 -0.997 78.8 -0.7-134.3 131.8 17.0 15.1 7.7 47 67 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.800 131.2 -59.2 59.0 30.6 15.9 14.1 4.2 48 81 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -38,-0.0 -1,-0.3 0.357 115.8 108.9 81.4 -5.6 12.7 12.5 5.7 49 82 A A E < S-H 46 0B 55 -3,-1.9 -3,-2.3 1,-0.0 2,-0.3 -0.804 75.8-109.5-108.3 147.3 14.7 10.1 7.9 50 83 A V E +H 45 0B 73 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.542 37.1 171.5 -69.1 129.2 15.2 10.1 11.7 51 84 A V E - 0 0 1 -7,-2.7 19,-2.3 1,-0.4 2,-0.3 0.587 55.0 -56.6-113.8 -18.7 18.8 11.1 12.5 52 85 A G E -HI 44 69B 5 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.4 -0.987 51.4 -92.8 167.5-166.6 18.7 11.5 16.2 53 87 A T E -HI 43 68B 50 15,-2.1 15,-2.7 -2,-0.3 2,-0.4 -0.949 42.6 -88.1-139.9 157.9 17.1 13.2 19.2 54 88 A F E - I 0 67B 0 -12,-2.5 -13,-3.1 -15,-0.3 13,-0.3 -0.552 37.1-175.1 -68.1 118.7 17.8 16.3 21.3 55 88AA A E - 0 0 35 11,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.827 64.0 -13.3 -83.4 -36.8 20.1 15.2 24.1 56 89 A A E + I 0 66B 21 10,-1.2 10,-1.8 -17,-0.1 -1,-0.3 -0.981 60.3 179.1-163.6 155.4 20.1 18.5 26.0 57 90 A R E - I 0 65B 72 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.986 17.8-155.6-160.7 154.9 19.2 22.2 25.7 58 91 A V E + I 0 64B 39 6,-2.4 6,-2.3 -2,-0.3 -23,-0.3 -0.979 28.0 177.4-136.6 113.2 19.1 25.5 27.6 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.767 53.8 19.0-167.1 129.6 16.6 28.1 26.4 60 95 A P S S+ 0 0 48 0, 0.0 2,-1.8 0, 0.0 68,-0.2 0.534 121.7 40.3 -79.2-151.8 15.8 30.8 27.4 61 100 A G B S+j 128 0C 34 66,-2.5 68,-2.3 -2,-0.2 2,-0.2 -0.511 136.5 14.0 86.7 -71.3 18.6 32.3 29.5 62 101 A N S S- 0 0 51 -2,-1.8 68,-0.1 66,-0.2 2,-0.1 -0.568 79.2-136.6-115.5-178.0 21.0 30.8 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.511 52.9 118.5-145.2 79.9 20.1 29.4 23.6 64 103 A R E + I 0 58B 20 -6,-2.3 -6,-2.4 -30,-0.3 2,-0.3 -0.966 23.9 158.2-145.1 156.5 21.9 26.2 22.9 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.4 -2,-0.3 2,-0.4 -0.981 21.7-144.1-167.1 160.6 21.4 22.5 22.3 66 105 A W E -GI 32 56B 16 -10,-1.8 -11,-2.3 -2,-0.3 -10,-1.2 -0.997 12.5-143.2-137.1 140.1 22.9 19.4 20.9 67 106 A V E -GI 31 54B 0 -36,-2.9 -36,-1.5 -2,-0.4 2,-0.6 -0.919 15.1-139.7-101.1 122.0 21.3 16.6 19.0 68 107 A S E -GI 30 53B 29 -15,-2.7 -15,-2.1 -2,-0.5 -38,-0.3 -0.749 26.0-152.6 -83.3 122.6 22.6 13.0 19.7 69 108 A L E -GI 29 52B 14 -40,-2.8 -40,-0.5 -2,-0.6 -17,-0.3 -0.597 16.0-106.7 -98.3 157.3 22.8 11.1 16.4 70 109 A T > - 0 0 63 -19,-2.3 3,-1.9 -2,-0.2 -1,-0.1 -0.426 38.4-109.5 -74.3 155.7 22.6 7.5 15.5 71 110 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.649 113.3 72.5 -61.6 -14.9 25.9 5.9 14.5 72 111 A A T 3 S+ 0 0 81 -21,-0.1 -1,-0.3 2,-0.1 2,-0.0 0.644 77.9 98.6 -72.8 -15.3 24.7 5.6 10.9 73 112 A Q S < S- 0 0 10 -3,-1.9 2,-0.6 -22,-0.2 -71,-0.2 -0.351 72.8-130.3 -74.0 154.6 25.1 9.4 10.5 74 113 A T E -a 2 0A 61 -73,-2.8 -71,-3.4 -2,-0.0 2,-0.3 -0.916 16.3-151.7-112.3 107.6 28.1 10.9 8.7 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.627 16.4-172.6 -77.7 133.4 29.8 13.7 10.6 76 119 A L E - 0 0 34 -73,-1.2 2,-1.6 -2,-0.3 -54,-0.5 -0.975 31.7-131.5-131.3 143.3 31.6 16.2 8.4 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.333 74.7 105.2 -85.6 57.7 34.0 19.2 9.3 78 120AA R E - B 0 87A 87 -2,-1.6 -73,-3.0 -75,-0.4 2,-0.4 -0.947 54.8-155.0-145.7 157.0 32.0 21.5 6.9 79 120BA V E -aB 5 86A 0 7,-2.0 7,-2.6 -2,-0.3 -73,-0.2 -0.981 36.9-108.0-128.6 135.7 29.5 24.3 6.6 80 120CA A E + B 0 85A 19 -75,-3.1 2,-0.3 -2,-0.4 5,-0.2 -0.439 33.3 174.3 -68.8 132.4 27.4 24.8 3.5 81 120DA N E > - 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