==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-AUG-98 1BOQ . COMPND 2 MOLECULE: PROTEIN (ALPHA-LYTIC PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.J.PETERS,A.K.SHIAU,J.L.SOHL,D.E.ANDERSON,G.TANG,J.L.SILEN, . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.7 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 . 77 38.9 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 . 3 1.5 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 7.1 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 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 . 1 3 2 5 2 2 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 1 A A 0 0 57 0, 0.0 73,-2.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 145.8 22.7 11.6 6.4 2 2 A N E -a 74 0A 101 71,-0.2 2,-0.9 73,-0.0 73,-0.2 -0.747 360.0-138.6 -79.9 116.8 25.8 13.7 6.0 3 3 A I E +a 75 0A 0 71,-3.4 73,-1.8 -2,-0.6 2,-0.4 -0.709 34.1 163.7 -84.9 105.0 26.0 16.2 8.9 4 4 A V E > - 0 0 14 -2,-0.9 3,-1.3 71,-0.1 15,-0.2 -0.952 43.1-103.6-116.0 140.4 27.1 19.6 7.5 5 5 A G E 3 S+a 79 0A 1 73,-3.5 75,-2.7 -2,-0.4 15,-0.2 -0.316 102.9 30.4 -58.7 135.8 26.8 23.0 9.3 6 6 A G T 3 S+ 0 0 4 13,-3.1 -1,-0.2 1,-0.3 102,-0.1 0.323 87.1 125.4 106.0 -14.7 24.0 25.1 7.8 7 7 A I < - 0 0 45 -3,-1.3 12,-2.3 97,-0.1 -1,-0.3 -0.405 60.9 -99.8 -90.6 156.3 21.5 22.5 6.6 8 8 A E E +C 18 0B 81 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.427 38.3 168.3 -66.5 142.1 17.8 22.0 7.4 9 9 A Y E -C 17 0B 1 8,-1.7 8,-2.1 -2,-0.1 2,-0.3 -0.987 24.6-134.8-144.5 145.1 16.5 19.6 10.0 10 10 A S E -CD 16 45B 20 35,-2.1 35,-2.1 -2,-0.3 2,-0.5 -0.707 9.4-139.9-100.7 157.6 12.9 19.3 11.4 11 11 A I E >> S-CD 15 44B 8 4,-2.4 3,-2.3 -2,-0.3 4,-0.8 -0.971 80.8 -19.3-118.7 115.9 12.0 18.9 15.1 12 12 A N T 34 S- 0 0 85 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.836 116.6 -67.6 54.9 38.4 9.0 16.5 15.8 13 13 A N T 34 S+ 0 0 120 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.582 130.3 70.2 60.0 12.0 7.8 16.8 12.2 14 14 A A T <4 S+ 0 0 81 -3,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.657 81.2 46.6-121.4 -81.1 6.9 20.4 12.8 15 15 A S E < -C 11 0B 72 -4,-0.8 -4,-2.4 22,-0.1 2,-0.4 -0.234 62.8-142.2 -73.3 153.6 9.5 23.2 13.3 16 16 A L E +C 10 0B 64 -6,-0.2 2,-0.2 -3,-0.1 -6,-0.2 -0.932 24.9 161.6-111.4 140.1 12.6 23.7 11.1 17 17 A a E -C 9 0B 5 -8,-2.1 -8,-1.7 -2,-0.4 2,-0.4 -0.864 34.5-107.6-137.4-179.8 16.0 24.8 12.2 18 18 A S E -C 8 0B 0 125,-2.7 16,-0.4 -2,-0.2 -10,-0.2 -0.891 32.5-108.2-113.8 147.9 19.6 24.7 10.8 19 19 A V - 0 0 0 -12,-2.3 -13,-3.1 -2,-0.4 127,-0.9 -0.540 28.1-165.2 -68.0 134.2 22.5 22.5 11.9 20 20 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.924 55.4 -28.1 -84.2 -74.2 25.2 24.4 13.8 21 21 A F E -E 32 0B 4 11,-1.0 11,-2.3 -16,-0.1 -1,-0.3 -1.000 55.5-109.4-147.3 141.1 28.3 22.2 14.0 22 22 A S E +E 31 0B 7 54,-0.4 174,-2.5 -2,-0.3 2,-0.3 -0.486 47.8 167.9 -68.2 131.6 29.4 18.5 14.0 23 23 A V E -EF 30 195B 0 7,-2.2 7,-1.9 172,-0.3 2,-0.4 -0.902 24.0-143.8-135.5 164.2 30.6 17.5 17.5 24 24 A T E -EF 29 194B 48 170,-2.1 170,-2.9 -2,-0.3 2,-0.2 -0.970 5.5-164.0-129.7 156.5 31.5 14.3 19.4 25 25 A R E > S-E 28 0B 104 3,-2.6 3,-1.6 -2,-0.4 2,-0.3 -0.750 70.5 -58.6-133.1 84.2 31.1 13.4 23.0 26 26 A G T 3 S- 0 0 72 1,-0.3 -1,-0.2 -2,-0.2 168,-0.1 -0.652 122.9 -17.8 70.6-129.0 33.2 10.3 23.6 27 27 A A T 3 S+ 0 0 109 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.587 119.0 105.2 -81.2 -9.7 31.9 7.7 21.2 28 28 A T E < -E 25 0B 55 -3,-1.6 -3,-2.6 1,-0.0 2,-0.3 -0.566 61.1-147.1 -79.5 127.5 28.7 9.7 20.7 29 29 A K E +E 24 0B 67 40,-0.4 40,-2.8 -2,-0.4 2,-0.3 -0.608 32.8 147.9 -83.9 144.8 28.1 11.8 17.5 30 30 A G E -EG 23 68B 0 -7,-1.9 -7,-2.2 38,-0.3 2,-0.3 -0.951 35.4-135.8-158.8 177.1 26.0 15.0 17.8 31 31 A F E -EG 22 67B 0 36,-1.5 36,-2.1 -2,-0.3 2,-0.3 -0.988 22.8-124.1-139.4 148.5 25.6 18.5 16.3 32 32 A V E +EG 21 66B 0 -11,-2.3 -12,-1.8 -2,-0.3 -11,-1.0 -0.727 40.7 154.5 -90.8 152.0 25.2 21.8 18.2 33 33 A T E - G 0 65B 0 32,-2.1 32,-1.3 -2,-0.3 2,-0.2 -0.879 47.7 -56.4-158.6-174.8 22.1 23.9 17.4 34 34 A A > - 0 0 0 -16,-0.4 3,-1.7 -2,-0.2 4,-0.4 -0.564 37.1-137.2 -84.0 146.0 19.9 26.6 19.0 35 35 A G G > S+ 0 0 0 1,-0.3 3,-1.0 23,-0.3 24,-0.2 0.862 102.6 62.7 -66.6 -28.6 18.1 25.7 22.3 36 36 A H G 3 S+ 0 0 61 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.504 86.5 78.1 -74.6 -4.5 14.9 27.3 21.2 37 37 A a G < S- 0 0 9 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.801 107.4 -14.5 -75.8 -26.3 14.7 24.7 18.4 38 38 A G < - 0 0 9 -3,-1.0 -1,-0.2 -4,-0.4 2,-0.2 -0.996 60.9-107.8-168.0 161.4 13.5 21.8 20.6 39 39 A T > - 0 0 78 -2,-0.3 3,-2.3 1,-0.2 15,-0.3 -0.554 62.0 -70.4 -86.0 164.7 12.9 20.4 24.0 40 40 A V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.166 123.4 16.2 -53.5 142.1 15.0 17.5 25.4 41 41 A N T 3 S+ 0 0 118 13,-2.8 -1,-0.3 1,-0.2 14,-0.1 0.460 86.5 146.9 62.9 6.3 14.2 14.2 23.5 42 42 A A < - 0 0 3 -3,-2.3 12,-2.4 1,-0.1 2,-0.5 -0.408 54.6-108.2 -64.0 140.9 12.5 16.0 20.6 43 43 A T E - H 0 53B 36 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.655 26.2-152.6 -80.6 124.4 13.1 14.1 17.4 44 44 A A E -DH 11 52B 0 8,-2.3 7,-2.3 -2,-0.5 8,-1.0 -0.762 14.3-174.1 -93.0 129.7 15.4 15.5 14.8 45 45 A R E -DH 10 50B 50 -35,-2.1 -35,-2.1 -2,-0.4 2,-0.4 -0.966 12.0-165.9-120.5 144.4 14.8 14.5 11.1 46 46 A I E > S- H 0 49B 24 3,-2.3 3,-1.0 -2,-0.4 -37,-0.1 -0.973 83.0 -11.8-126.8 116.0 17.0 15.3 8.1 47 47 A G T 3 S- 0 0 83 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.922 128.2 -56.3 65.0 43.6 15.2 14.7 4.7 48 48 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.085 115.9 111.3 79.4 -33.2 12.4 12.8 6.4 49 49 A A E < S-H 46 0B 58 -3,-1.0 -3,-2.3 -2,-0.4 2,-0.3 -0.514 73.5-118.1 -76.0 134.6 14.8 10.3 8.0 50 50 A V E +H 45 0B 74 -5,-0.2 -5,-0.2 -2,-0.2 3,-0.1 -0.623 35.9 171.4 -69.6 128.0 15.2 10.3 11.8 51 51 A V E - 0 0 1 -7,-2.3 19,-3.0 1,-0.4 2,-0.3 0.648 55.1 -51.0-116.5 -17.4 18.9 11.1 12.8 52 52 A G E -HI 44 69B 5 -8,-1.0 -8,-2.3 17,-0.3 -1,-0.4 -0.979 52.6 -97.2 169.6-168.0 18.8 11.6 16.5 53 53 A T E -HI 43 68B 51 15,-2.0 15,-2.5 -2,-0.3 -10,-0.2 -0.978 43.5 -87.5-141.3 154.1 17.1 13.4 19.4 54 54 A F E - I 0 67B 0 -12,-2.4 -13,-2.8 -2,-0.3 13,-0.3 -0.461 39.0-174.4 -61.9 125.7 17.8 16.5 21.4 55 55 A A E - 0 0 36 11,-3.0 2,-0.3 1,-0.4 12,-0.2 0.790 62.9 -10.3 -92.8 -28.9 20.1 15.5 24.4 56 56 A A E + I 0 66B 19 10,-1.2 10,-1.8 -17,-0.1 -1,-0.4 -0.986 62.2 173.5-164.0 151.8 20.2 18.7 26.3 57 57 A R E - I 0 65B 75 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.985 18.8-155.1-160.1 159.3 19.2 22.4 25.9 58 58 A V E + I 0 64B 40 6,-2.1 6,-2.0 -2,-0.3 -23,-0.3 -0.941 26.4 176.9-139.2 117.6 19.0 25.7 27.8 59 59 A F + 0 0 25 -2,-0.4 4,-0.1 4,-0.2 2,-0.1 -0.765 54.4 24.9-167.9 131.4 16.5 28.3 26.6 60 60 A P S S+ 0 0 49 0, 0.0 2,-1.9 0, 0.0 68,-0.2 0.513 121.6 37.9 -79.6-149.5 15.7 31.1 27.6 61 61 A G B S+j 128 0C 31 66,-2.5 68,-2.6 -2,-0.1 2,-0.2 -0.488 136.8 13.6 83.1 -67.4 18.7 32.7 29.7 62 62 A N S S- 0 0 49 -2,-1.9 2,-0.1 66,-0.2 68,-0.1 -0.595 77.7-138.0-119.4 179.5 21.0 31.1 27.1 63 63 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.470 52.3 122.2-145.7 79.6 20.1 29.6 23.7 64 64 A R E + I 0 58B 17 -6,-2.0 -6,-2.1 -30,-0.3 2,-0.3 -0.951 22.8 158.9-141.8 146.5 22.0 26.3 23.2 65 65 A A E -GI 33 57B 0 -32,-1.3 -32,-2.1 -2,-0.3 2,-0.4 -0.980 22.0-146.9-155.8 158.8 21.3 22.6 22.6 66 66 A W E -GI 32 56B 7 -10,-1.8 -11,-3.0 -2,-0.3 -10,-1.2 -0.998 11.0-147.9-129.9 142.8 23.0 19.5 21.2 67 67 A V E -GI 31 54B 0 -36,-2.1 -36,-1.5 -2,-0.4 2,-0.6 -0.929 15.5-139.4 -98.8 123.5 21.3 16.7 19.3 68 68 A S E -GI 30 53B 29 -15,-2.5 -15,-2.0 -2,-0.5 -38,-0.3 -0.816 24.3-147.5 -88.7 127.1 22.7 13.2 19.9 69 69 A L E - I 0 52B 13 -40,-2.8 -40,-0.4 -2,-0.6 -17,-0.3 -0.465 13.7-105.3 -93.0 154.7 22.8 11.3 16.6 70 70 A T > - 0 0 61 -19,-3.0 3,-2.1 -2,-0.2 -1,-0.1 -0.450 39.2-106.6 -71.8 154.0 22.5 7.7 15.8 71 71 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.784 113.4 71.6 -54.7 -19.7 25.7 5.8 14.8 72 72 A A T 3 S+ 0 0 79 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.738 78.3 99.9 -68.7 -19.7 24.6 5.7 11.1 73 73 A Q < - 0 0 11 -3,-2.1 2,-0.7 -22,-0.2 -71,-0.2 -0.323 67.2-137.0 -73.8 144.8 25.2 9.5 10.7 74 74 A T E -a 2 0A 64 -73,-2.3 -71,-3.4 -2,-0.1 2,-0.4 -0.883 12.8-151.4-108.7 110.6 28.3 10.9 9.1 75 75 A L E -a 3 0A 30 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.1 -0.656 15.0-169.8 -77.6 128.8 29.9 13.9 10.8 76 76 A L E - 0 0 35 -73,-1.8 2,-1.9 -2,-0.4 -54,-0.4 -0.952 30.1-129.3-120.7 143.4 31.8 16.2 8.5 77 77 A P E S+ 0 0 18 0, 0.0 11,-2.4 0, 0.0 2,-0.3 -0.289 75.3 109.9 -84.6 53.8 34.1 19.2 9.4 78 78 A R E - B 0 87A 94 -2,-1.9 -73,-3.5 -75,-0.4 2,-0.4 -0.963 55.1-156.3-140.5 145.9 32.1 21.5 7.0 79 79 A V E -aB 5 86A 0 7,-2.4 7,-2.3 -2,-0.3 -73,-0.2 -0.962 35.9-114.4-115.6 133.9 29.7 24.4 6.8 80 80 A A E + B 0 85A 20 -75,-2.7 2,-0.3 -2,-0.4 5,-0.2 -0.445 33.0 173.9 -66.1 135.7 27.5 24.8 3.6 81 81 A N E > - B 0 84A 56 3,-2.0 3,-2.0 1,-0.4 22,-0.1 -0.762 67.3 -65.3-136.5 92.1 28.2 27.8 1.4 82 82 A G T 3 S- 0 0 70 -2,-0.3 -1,-0.4 1,-0.2 26,-0.0 -0.454 112.8 -23.4 58.2-137.4 26.0 27.3 -1.7 83 83 A S T 3 S+ 0 0 129 -3,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.308 134.5 69.6 -79.9 -1.5 27.3 24.1 -3.6 84 84 A S E < S-B 81 0A 66 -3,-2.0 -3,-2.0 2,-0.0 2,-0.3 -0.505 75.7-131.1-111.7-174.3 30.7 24.6 -2.0 85 85 A F E -B 80 0A 115 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.955 4.9-141.5-140.2 154.7 31.9 24.2 1.7 86 86 A V E -B 79 0A 18 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.3 -0.976 29.8-131.9-114.0 128.8 33.9 26.0 4.5 87 87 A T E -B 78 0A 48 -2,-0.5 2,-0.7 -9,-0.2 -9,-0.2 -0.636 13.9-126.2 -83.3 135.7 36.1 23.7 6.6 88 88 A V + 0 0 4 -11,-2.4 110,-2.7 -2,-0.3 65,-0.2 -0.745 33.9 170.1 -83.3 118.0 35.9 24.0 10.3 89 89 A R - 0 0 156 63,-2.8 2,-0.3 -2,-0.7 64,-0.2 0.580 56.9 -49.7-103.8 -16.1 39.5 24.5 11.5 90 90 A G B -q 153 0D 15 62,-1.2 64,-2.4 106,-0.1 -1,-0.3 -0.983 51.7 -92.5 168.6-168.9 38.9 25.4 15.2 91 91 A S + 0 0 36 -2,-0.3 2,-0.4 62,-0.2 94,-0.1 -0.158 49.9 155.4-132.5 41.7 36.9 27.6 17.5 92 92 A T - 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