==== 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 (SERINE PROTEINASE) 24-APR-89 1P09 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 40.9 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 . 19 9.6 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 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 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 54 0, 0.0 73,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.4 22.7 11.7 6.5 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.818 360.0-136.8 -90.3 126.8 25.9 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.7 73,-1.9 -2,-0.5 2,-0.4 -0.846 34.4 164.3 -95.4 112.2 26.0 16.3 8.9 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.954 43.8-100.9-125.2 142.4 27.1 19.7 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.4 75,-3.2 -2,-0.4 15,-0.2 -0.311 104.8 27.6 -59.3 140.1 26.8 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.3 -1,-0.2 1,-0.3 102,-0.1 0.235 85.3 126.4 97.7 -16.3 23.9 25.1 7.7 7 29 A I < - 0 0 45 -3,-1.5 12,-2.6 97,-0.1 -1,-0.3 -0.303 60.7-103.3 -81.1 160.9 21.5 22.3 6.6 8 30 A E E +C 18 0B 81 10,-0.2 2,-0.3 96,-0.1 39,-0.3 -0.513 37.2 171.7 -79.4 147.9 17.9 22.1 7.5 9 31 A Y E -C 17 0B 2 8,-1.9 8,-2.2 -2,-0.2 2,-0.3 -0.954 22.6-135.8-147.1 152.5 16.5 19.6 10.1 10 32 A S E -CD 16 45B 20 35,-2.2 35,-1.8 -2,-0.3 2,-0.5 -0.712 9.5-137.9-110.7 161.1 12.9 19.4 11.5 11 33 A I E >> S-CD 15 44B 9 4,-2.1 3,-2.2 -2,-0.3 4,-0.7 -0.991 81.1 -19.0-122.5 122.0 11.9 19.0 15.2 12 34 A N T 34 S- 0 0 82 31,-2.8 -1,-0.1 -2,-0.5 32,-0.1 0.824 118.8 -66.9 45.9 45.0 9.0 16.6 16.0 13 35 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.665 128.3 72.6 53.0 26.0 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 76 -3,-2.2 -2,-0.2 1,-0.4 -1,-0.1 0.519 78.7 43.5-128.5 -87.7 7.0 20.6 12.8 15 40 A S E < -C 11 0B 73 -4,-0.7 -4,-2.1 22,-0.1 -1,-0.4 -0.243 65.3-138.8 -67.2 156.9 9.5 23.5 13.2 16 41 A L E +C 10 0B 63 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.909 26.4 164.0-117.5 145.0 12.6 23.8 11.1 17 42 A a E -C 9 0B 6 -8,-2.2 -8,-1.9 -2,-0.4 2,-0.4 -0.835 32.5-109.4-144.6 179.1 16.1 24.9 12.3 18 43 A S E -C 8 0B 0 125,-2.5 16,-0.3 -2,-0.3 -10,-0.2 -0.921 30.5-107.6-121.2 147.0 19.6 24.7 10.8 19 44 A V - 0 0 0 -12,-2.6 -13,-3.3 -2,-0.4 127,-0.9 -0.479 26.9-166.0 -70.5 137.9 22.5 22.5 11.9 20 45 A G - 0 0 0 12,-1.7 2,-0.3 125,-0.3 126,-0.3 0.922 56.5 -29.2 -86.3 -80.9 25.2 24.4 13.8 21 46 A F E -E 32 0B 2 11,-1.0 11,-2.0 -16,-0.1 -1,-0.3 -0.995 54.5-111.1-146.2 144.1 28.4 22.2 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.4 -2,-0.3 2,-0.3 -0.522 47.5 165.0 -70.7 136.2 29.3 18.5 14.0 23 48 A V E -EF 30 195B 0 7,-2.5 7,-2.2 172,-0.3 2,-0.3 -0.924 25.6-136.4-145.9 167.9 30.7 17.5 17.4 24 48AA T E -EF 29 194B 49 170,-2.5 170,-2.8 -2,-0.3 2,-0.3 -0.921 6.1-161.9-130.3 160.8 31.5 14.4 19.4 25 48BA R E > S-E 28 0B 114 3,-3.0 3,-2.5 -2,-0.3 168,-0.1 -0.795 71.7 -61.4-134.6 84.2 31.0 13.4 23.0 26 48CA G T 3 S- 0 0 73 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.536 123.5 -16.6 65.3-138.7 33.3 10.4 23.7 27 48DA A T 3 S+ 0 0 106 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.453 118.7 106.8 -73.5 -2.8 31.9 7.9 21.2 28 49 A T E < -E 25 0B 56 -3,-2.5 -3,-3.0 40,-0.0 2,-0.3 -0.687 60.3-146.8 -84.2 132.5 28.7 9.9 20.8 29 50 A K E +EG 24 69B 63 40,-0.5 40,-3.4 -2,-0.4 2,-0.3 -0.668 32.8 145.6 -91.8 149.1 28.0 11.8 17.6 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.3 -0.954 37.7-132.0-162.9-179.8 26.1 15.1 17.7 31 52 A F E -EG 22 67B 0 36,-1.4 36,-2.5 -2,-0.3 2,-0.3 -0.972 22.5-130.0-143.6 144.7 25.5 18.6 16.4 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-1.7 -2,-0.3 -11,-1.0 -0.701 38.6 153.1 -95.2 150.0 25.1 21.8 18.4 33 54 A T E - G 0 65B 0 32,-2.2 32,-2.0 -2,-0.3 2,-0.2 -0.804 47.2 -53.3-156.5-171.1 22.2 24.1 17.6 34 55 A A > - 0 0 0 -16,-0.3 3,-1.4 -2,-0.2 30,-0.3 -0.594 36.9-136.3 -83.8 141.5 19.9 26.7 19.2 35 56 A G G > S+ 0 0 0 23,-0.4 3,-1.2 1,-0.3 24,-0.2 0.852 102.6 61.2 -63.2 -36.5 18.1 25.9 22.4 36 57 A H G 3 S+ 0 0 61 1,-0.2 -1,-0.3 22,-0.2 23,-0.1 0.597 87.9 77.7 -67.7 -12.8 14.9 27.4 21.2 37 58 A a G < S- 0 0 9 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.757 108.2 -14.7 -68.2 -29.3 14.7 24.9 18.4 38 59 A G < - 0 0 8 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 -0.973 62.1-110.4-159.5 173.6 13.5 21.9 20.5 39 62 A T > - 0 0 75 -2,-0.3 3,-2.8 1,-0.1 15,-0.4 -0.737 60.1 -68.8-109.1 163.4 13.0 20.5 24.0 40 63 A V T 3 S+ 0 0 67 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.216 124.0 15.9 -51.3 139.3 15.0 17.6 25.5 41 64 A N T 3 S+ 0 0 120 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.277 86.2 144.3 69.3 5.0 14.1 14.4 23.7 42 65 A A < - 0 0 4 -3,-2.8 12,-2.2 1,-0.1 2,-0.5 -0.310 54.5-111.8 -65.3 150.8 12.4 16.1 20.7 43 65AA T E - H 0 53B 36 10,-0.2 -31,-2.8 -3,-0.1 2,-0.4 -0.754 25.0-152.6 -91.9 128.6 13.1 14.2 17.4 44 66 A A E -DH 11 52B 0 8,-2.3 7,-2.6 -2,-0.5 8,-1.1 -0.827 11.6-169.4-102.8 136.1 15.3 15.6 14.7 45 67 A R E -DH 10 50B 49 -35,-1.8 -35,-2.2 -2,-0.4 2,-0.5 -0.970 10.6-164.4-127.0 142.3 14.9 14.6 11.1 46 80 A I E > S- H 0 49B 25 3,-2.6 3,-2.4 -2,-0.4 -37,-0.1 -1.000 82.8 -13.1-129.4 122.3 17.1 15.3 8.1 47 81 A G T 3 S- 0 0 84 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.837 131.2 -52.0 51.4 45.7 15.4 14.8 4.8 48 82 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.166 116.0 108.8 80.1 -13.2 12.6 12.9 6.3 49 83 A A E < S-H 46 0B 55 -3,-2.4 -3,-2.6 1,-0.0 2,-0.3 -0.767 74.1-113.7-101.6 146.2 14.7 10.5 8.3 50 84 A V E +H 45 0B 72 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.563 36.4 171.2 -67.9 130.3 15.2 10.4 12.1 51 85 A V E - 0 0 2 -7,-2.6 19,-2.5 1,-0.4 2,-0.3 0.634 56.6 -56.1-117.0 -20.4 18.8 11.3 12.8 52 86 A G E -HI 44 69B 5 -8,-1.1 -8,-2.3 17,-0.3 -1,-0.4 -0.959 52.5 -94.6 171.9-162.7 18.7 11.7 16.7 53 87 A T E -HI 43 68B 49 15,-1.9 15,-2.7 -2,-0.3 2,-0.3 -0.968 43.2 -85.4-142.9 159.4 17.1 13.6 19.5 54 88 A F E - I 0 67B 0 -12,-2.2 -13,-2.9 -15,-0.4 13,-0.3 -0.536 37.6-173.7 -65.4 126.3 17.8 16.7 21.6 55 89 A A E - 0 0 35 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.781 64.0 -15.4 -90.2 -37.9 20.1 15.7 24.5 56 90 A A E + I 0 66B 21 10,-1.3 10,-1.5 -17,-0.1 -1,-0.4 -0.970 63.4 176.5-157.8 160.8 20.2 18.9 26.5 57 91 A R E - I 0 65B 77 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.965 19.0-152.2-165.8 160.3 19.3 22.5 26.0 58 93 A V E + I 0 64B 37 6,-2.6 6,-2.3 -2,-0.3 -23,-0.4 -0.945 25.1 178.2-139.5 120.6 19.1 25.9 27.7 59 94 A F + 0 0 26 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.820 55.6 19.1-168.9 132.4 16.6 28.5 26.5 60 99AA P S S+ 0 0 47 0, 0.0 2,-1.3 0, 0.0 68,-0.2 0.612 120.7 42.8 -84.3-158.0 15.9 31.2 27.4 61 100 A G B S+j 128 0C 33 66,-2.4 68,-2.8 -2,-0.2 2,-0.2 -0.600 137.4 7.9 96.9 -67.4 18.7 32.7 29.6 62 101 A N S S- 0 0 53 -2,-1.3 2,-0.2 66,-0.2 68,-0.1 -0.631 79.8-134.5-120.3-176.4 21.2 31.2 27.0 63 102 A D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.625 53.0 121.0-148.8 81.4 20.1 29.7 23.7 64 103 A R E + I 0 58B 18 -6,-2.3 -6,-2.6 -30,-0.3 2,-0.3 -0.981 23.1 159.8-146.3 157.1 21.9 26.4 23.1 65 104 A A E -GI 33 57B 0 -32,-2.0 -32,-2.2 -2,-0.3 2,-0.3 -0.944 21.2-147.8-163.3 166.7 21.4 22.7 22.6 66 105 A W E -GI 32 56B 11 -10,-1.5 -11,-2.9 -2,-0.3 -10,-1.3 -0.978 13.1-147.6-142.6 143.1 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.5 -36,-1.4 -2,-0.3 2,-0.5 -0.956 14.9-136.6-110.4 129.1 21.3 16.6 19.5 68 107 A S E -GI 30 53B 30 -15,-2.7 -15,-1.9 -2,-0.4 -38,-0.3 -0.826 25.8-149.4 -91.4 132.1 22.8 13.2 20.0 69 108 A L E -GI 29 52B 15 -40,-3.4 -40,-0.5 -2,-0.5 -17,-0.3 -0.600 14.4-105.9 -99.0 164.0 22.8 11.3 16.7 70 109 A T > - 0 0 67 -19,-2.5 3,-1.8 -2,-0.2 -1,-0.1 -0.306 41.0-104.5 -75.2 163.3 22.5 7.7 15.8 71 110 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.645 113.5 70.6 -61.3 -21.6 25.7 5.9 14.7 72 111 A A T 3 S+ 0 0 75 -21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.465 75.7 101.0 -78.4 -9.9 24.7 5.9 11.1 73 112 A Q < - 0 0 12 -3,-1.8 2,-0.6 -22,-0.2 -71,-0.2 -0.473 68.3-137.5 -78.2 146.4 25.2 9.7 10.8 74 113 A T E -a 2 0A 65 -73,-2.3 -71,-3.7 -2,-0.2 2,-0.4 -0.971 14.8-149.5-109.1 112.9 28.4 10.9 9.1 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.742 16.0-170.7 -83.9 133.4 29.9 13.9 10.9 76 115 A L E - 0 0 34 -73,-1.9 2,-1.5 -2,-0.4 -54,-0.5 -0.960 30.8-131.8-128.1 146.1 31.8 16.3 8.7 77 116 A P E S+ 0 0 18 0, 0.0 11,-3.0 0, 0.0 2,-0.3 -0.354 75.1 105.6 -82.8 49.2 34.0 19.3 9.6 78 117 A R E - B 0 87A 92 -2,-1.5 -73,-3.4 -75,-0.3 2,-0.4 -0.948 55.4-152.7-138.2 158.5 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-2.1 7,-2.3 -2,-0.3 -73,-0.2 -0.982 35.2-109.2-127.1 135.4 29.7 24.3 6.7 80 119 A A E + B 0 85A 19 -75,-3.2 5,-0.2 -2,-0.4 2,-0.2 -0.406 34.0 173.9 -68.4 135.3 27.5 24.8 3.6 81 120 A N E > - 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