==== 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 06-SEP-95 1GBB . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR J.E.MACE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 66.7 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 . 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 . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 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 53 0, 0.0 73,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 155.1 22.6 11.7 6.4 2 15BA N E -a 74 0A 94 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.828 360.0-136.6 -90.4 129.9 25.8 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.2 73,-1.6 -2,-0.5 2,-0.3 -0.830 34.1 164.9 -99.9 114.3 25.9 16.3 8.8 4 17 A V E > - 0 0 14 -2,-0.7 3,-1.5 71,-0.1 15,-0.3 -0.962 42.9-100.4-128.3 138.7 27.0 19.6 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.1 75,-2.8 -2,-0.3 15,-0.2 -0.315 104.4 24.2 -59.1 135.6 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.1 -1,-0.2 1,-0.3 102,-0.1 0.267 87.2 126.8 99.0 -11.5 23.8 25.1 7.8 7 31 A I < - 0 0 44 -3,-1.5 12,-2.3 97,-0.1 -1,-0.3 -0.383 61.6 -99.0 -84.6 162.7 21.5 22.4 6.5 8 32 A E E +C 18 0B 82 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.450 40.2 167.9 -78.0 145.1 17.8 22.0 7.4 9 33 A Y E -C 17 0B 1 8,-1.9 8,-2.5 -2,-0.1 2,-0.3 -0.954 23.8-134.2-146.4 157.5 16.4 19.5 9.9 10 34 A S E -CD 16 45B 20 35,-2.0 35,-2.1 -2,-0.3 2,-0.5 -0.823 8.4-138.0-112.5 158.1 12.9 19.4 11.5 11 35 A I E >> S-CD 15 44B 7 4,-2.4 3,-2.1 -2,-0.3 4,-1.1 -0.966 80.7 -19.8-121.2 120.7 11.9 18.9 15.1 12 36 A N T 34 S- 0 0 83 31,-2.5 -1,-0.2 -2,-0.5 32,-0.1 0.842 117.3 -66.1 50.7 42.1 9.0 16.6 15.9 13 38 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.694 130.3 68.4 56.1 23.5 7.7 16.8 12.3 14 39 A A T <4 S+ 0 0 78 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.597 80.9 46.9-132.7 -74.2 6.9 20.5 12.8 15 40 A S E < -C 11 0B 72 -4,-1.1 -4,-2.4 22,-0.1 2,-0.4 -0.397 63.2-143.4 -76.4 161.8 9.5 23.3 13.2 16 41 A L E +C 10 0B 65 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.918 24.8 162.2-119.6 141.9 12.6 23.7 11.0 17 42 A a E -C 9 0B 5 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.3 -0.871 33.9-107.5-142.3-176.2 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-3.0 16,-0.3 -2,-0.3 -10,-0.2 -0.900 31.0-108.1-119.2 148.3 19.6 24.6 10.8 19 44 A V - 0 0 0 -12,-2.3 -13,-3.1 -2,-0.3 127,-0.8 -0.496 26.9-165.9 -69.1 139.9 22.5 22.4 11.9 20 44AA G - 0 0 0 12,-1.9 2,-0.3 1,-0.3 126,-0.3 0.899 57.1 -27.2 -91.9 -71.9 25.2 24.4 13.7 21 45 A F E -E 32 0B 2 11,-1.1 11,-2.0 -16,-0.1 2,-0.3 -0.997 55.6-110.6-150.7 141.6 28.3 22.1 13.9 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.4 -2,-0.3 2,-0.3 -0.600 47.2 165.6 -66.6 133.7 29.2 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.4 -2,-0.3 2,-0.3 -0.915 25.1-142.3-143.5 164.5 30.6 17.5 17.4 24 48 A T E -EF 29 194B 49 170,-2.2 170,-2.8 -2,-0.3 2,-0.3 -0.942 5.5-162.3-126.0 157.3 31.4 14.3 19.4 25 48AA R E > S-E 28 0B 117 3,-2.5 3,-2.0 -2,-0.3 168,-0.1 -0.825 73.8 -56.3-133.7 92.7 31.0 13.5 23.0 26 48BA G T 3 S- 0 0 70 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.490 123.0 -17.7 66.9-138.8 33.2 10.4 23.5 27 48CA A T 3 S+ 0 0 108 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.487 117.5 105.4 -72.5 -2.4 31.9 7.8 21.0 28 49 A T E < -E 25 0B 60 -3,-2.0 -3,-2.5 40,-0.0 2,-0.3 -0.697 61.0-147.7 -89.0 133.8 28.6 9.7 20.6 29 50 A K E +E 24 0B 63 40,-0.5 40,-2.7 -2,-0.4 2,-0.3 -0.682 33.4 141.9 -89.0 146.0 28.1 11.7 17.4 30 51 A G E -EG 23 68B 0 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.3 -0.948 38.2-128.9-162.6-177.8 26.0 14.9 17.6 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.4 -2,-0.3 2,-0.3 -0.986 21.6-126.0-141.2 147.7 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-1.9 -2,-0.3 -11,-1.1 -0.714 39.2 154.3 -88.2 149.0 25.1 21.7 18.3 33 54 A T E - G 0 65B 0 32,-2.0 32,-1.6 -2,-0.3 2,-0.2 -0.815 47.8 -57.9-156.8-172.0 22.1 23.9 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.4 -2,-0.2 4,-0.3 -0.610 37.1-132.8 -87.4 146.2 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.3 24,-0.2 0.875 102.8 61.0 -65.8 -34.5 18.0 25.8 22.4 36 57 A H G 3 S+ 0 0 41 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.588 87.8 76.8 -73.1 -8.1 14.7 27.3 21.2 37 58 A a G < S- 0 0 8 -3,-1.4 2,-0.3 1,-0.2 -1,-0.3 0.777 109.2 -11.1 -72.0 -26.3 14.6 24.8 18.3 38 59 A G < - 0 0 8 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 -0.995 62.1-115.5-165.5 162.5 13.5 21.8 20.4 39 59AA T > - 0 0 72 -2,-0.3 3,-2.4 1,-0.2 15,-0.3 -0.658 59.9 -67.3 -98.7 167.2 13.0 20.4 23.9 40 59BA V T 3 S+ 0 0 67 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.203 123.3 16.4 -60.0 139.1 14.9 17.5 25.3 41 60 A N T 3 S+ 0 0 120 13,-3.1 -1,-0.3 1,-0.3 14,-0.1 0.410 85.5 146.1 72.7 7.7 14.1 14.3 23.6 42 61 A A < - 0 0 3 -3,-2.4 12,-2.1 1,-0.1 2,-0.4 -0.435 54.4-111.5 -66.5 143.2 12.4 16.0 20.6 43 62 A T E - H 0 53B 38 10,-0.2 -31,-2.5 -3,-0.1 2,-0.4 -0.694 26.0-152.8 -82.7 128.3 13.1 14.0 17.4 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.6 -2,-0.4 8,-1.2 -0.848 13.4-171.6-100.4 132.6 15.3 15.5 14.7 45 65 A R E -DH 10 50B 48 -35,-2.1 -35,-2.0 -2,-0.4 2,-0.5 -0.964 12.0-164.3-122.6 143.4 14.8 14.5 11.1 46 66 A I E > S- H 0 49B 25 3,-2.8 3,-1.5 -2,-0.4 -37,-0.1 -0.988 82.1 -11.5-128.6 117.8 16.9 15.3 8.0 47 67 A G T 3 S- 0 0 83 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.897 131.2 -51.8 65.7 43.8 15.2 14.7 4.7 48 81 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.262 117.0 109.5 79.0 -13.4 12.3 12.8 6.3 49 82 A A E < S-H 46 0B 55 -3,-1.5 -3,-2.8 1,-0.0 2,-0.3 -0.789 73.7-115.2-102.9 143.0 14.6 10.4 8.2 50 83 A V E +H 45 0B 76 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.527 35.5 171.3 -70.8 124.6 15.2 10.3 12.0 51 84 A V E - 0 0 2 -7,-2.6 19,-2.3 1,-0.4 2,-0.3 0.612 56.0 -55.3-110.8 -21.0 18.8 11.2 12.7 52 85 A G E -HI 44 69B 6 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.4 -0.982 52.8 -90.7 170.0-165.9 18.7 11.6 16.5 53 87 A T E -HI 43 68B 51 15,-2.0 15,-2.5 -2,-0.3 2,-0.3 -0.972 42.3 -91.1-137.5 154.9 17.1 13.4 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.1 -15,-0.3 13,-0.3 -0.497 38.9-175.2 -63.7 124.8 17.7 16.6 21.5 55 88AA A E - 0 0 35 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.814 62.7 -11.7 -94.4 -36.0 20.0 15.6 24.4 56 89 A A E + I 0 66B 21 10,-1.2 10,-1.6 -17,-0.1 -1,-0.4 -0.975 63.1 172.9-158.0 153.6 20.2 18.8 26.3 57 90 A R E - I 0 65B 74 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.973 18.8-154.4-157.9 161.0 19.2 22.5 25.8 58 91 A V E + I 0 64B 40 6,-2.3 6,-2.1 -2,-0.3 -23,-0.3 -0.952 25.2 179.3-138.5 119.7 19.0 25.8 27.7 59 94 A F + 0 0 24 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.828 54.6 21.6-162.6 135.7 16.5 28.3 26.5 60 95 A P S S+ 0 0 47 0, 0.0 2,-1.4 0, 0.0 68,-0.2 0.587 120.9 40.5 -79.8-156.1 15.8 31.1 27.4 61 100 A G B S+j 128 0C 32 66,-2.4 68,-2.9 -2,-0.2 2,-0.2 -0.631 137.4 9.7 91.6 -68.9 18.7 32.6 29.6 62 101 A N S S- 0 0 55 -2,-1.4 2,-0.1 66,-0.2 68,-0.1 -0.567 78.7-136.9-120.1-177.7 21.0 31.1 27.1 63 102 A D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.550 51.7 118.1-145.1 86.6 20.0 29.5 23.7 64 103 A R E + I 0 58B 17 -6,-2.1 -6,-2.3 -30,-0.3 2,-0.3 -0.971 22.9 159.4-150.8 154.2 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.0 -2,-0.3 2,-0.3 -0.964 21.3-146.6-162.6 166.1 21.3 22.6 22.5 66 105 A W E -GI 32 56B 8 -10,-1.6 -11,-2.6 -2,-0.3 -10,-1.2 -0.982 12.3-145.4-142.2 147.1 23.0 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.5 -2,-0.3 2,-0.5 -0.954 14.0-136.8-111.5 129.0 21.3 16.6 19.3 68 107 A S E -GI 30 53B 30 -15,-2.5 -15,-2.0 -2,-0.5 -38,-0.3 -0.790 24.6-149.7 -95.9 131.0 22.7 13.1 19.8 69 108 A L E - I 0 52B 15 -40,-2.7 -40,-0.5 -2,-0.5 -17,-0.3 -0.610 15.3-105.8 -98.1 155.0 22.8 11.2 16.5 70 109 A T > - 0 0 66 -19,-2.3 3,-1.7 -2,-0.2 -1,-0.1 -0.354 41.1-103.0 -72.2 165.0 22.5 7.6 15.7 71 110 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.695 114.2 70.0 -62.4 -22.1 25.7 5.8 14.7 72 111 A A T 3 S+ 0 0 76 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.572 76.3 99.4 -74.8 -13.6 24.7 5.8 11.0 73 112 A Q < - 0 0 12 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.455 68.6-136.2 -77.3 149.9 25.1 9.6 10.6 74 113 A T E -a 2 0A 66 -73,-2.3 -71,-3.2 -2,-0.1 2,-0.4 -0.962 15.2-149.8-111.2 116.8 28.3 10.8 9.0 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.704 16.0-169.7 -87.0 134.4 29.8 13.8 10.8 76 119 A L E - 0 0 36 -73,-1.6 2,-1.9 -2,-0.4 -54,-0.5 -0.962 30.7-130.9-132.3 142.8 31.7 16.3 8.7 77 120 A P E S+ 0 0 18 0, 0.0 11,-2.8 0, 0.0 2,-0.3 -0.235 74.9 104.0 -77.3 48.3 33.9 19.2 9.5 78 120AA R E - B 0 87A 92 -2,-1.9 -73,-3.1 -75,-0.3 2,-0.4 -0.955 55.3-153.4-141.8 156.2 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.8 7,-2.2 -2,-0.3 -73,-0.2 -0.974 35.8-112.3-124.4 134.4 29.6 24.3 6.7 80 120CA A E + B 0 85A 19 -75,-2.8 2,-0.3 -2,-0.4 5,-0.3 -0.457 31.4 176.8 -72.8 135.2 27.5 24.7 3.5 81 120DA N E > - 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