==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 06-SEP-95 1GBF . 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) . 7813.0 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 . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.0 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 53 0, 0.0 73,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 156.2 22.7 11.7 6.4 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.841 360.0-136.4 -89.9 128.6 25.9 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.3 73,-1.7 -2,-0.5 2,-0.3 -0.866 35.4 163.3 -99.2 112.5 25.9 16.3 8.8 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.3 71,-0.1 15,-0.3 -0.970 43.0-102.2-128.8 139.8 27.1 19.6 7.5 5 18 A G E 3 S+a 79 0A 0 73,-2.9 75,-3.0 -2,-0.3 15,-0.2 -0.368 103.0 28.0 -63.1 136.8 26.6 23.0 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.2 -1,-0.2 1,-0.3 102,-0.1 0.199 87.6 123.6 103.7 -17.5 23.8 25.1 7.7 7 31 A I < - 0 0 46 -3,-1.3 12,-2.4 97,-0.1 -1,-0.3 -0.404 62.3-100.2 -86.2 157.8 21.5 22.4 6.5 8 32 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.406 38.8 167.6 -74.5 144.9 17.8 21.9 7.4 9 33 A Y E -C 17 0B 1 8,-1.7 8,-2.3 -2,-0.1 2,-0.3 -0.952 24.8-132.6-148.2 154.1 16.4 19.4 9.9 10 34 A S E -CD 16 45B 21 35,-2.1 35,-2.1 -2,-0.3 2,-0.5 -0.805 7.8-138.4-108.3 160.1 12.9 19.3 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.2 3,-2.0 -2,-0.3 4,-0.9 -0.961 80.8 -21.7-121.7 120.8 11.9 18.9 15.1 12 36 A N T 34 S- 0 0 85 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.837 116.8 -66.3 47.5 40.3 9.0 16.5 15.8 13 38 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.725 128.8 70.3 57.6 28.0 7.7 16.8 12.3 14 39 A A T <4 S+ 0 0 75 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.559 81.1 42.6-136.4 -78.7 6.9 20.5 12.8 15 40 A S E < -C 11 0B 73 -4,-0.9 -4,-2.2 22,-0.1 -1,-0.4 -0.396 64.0-141.9 -75.5 161.9 9.5 23.4 13.2 16 41 A L E +C 10 0B 63 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.933 24.3 165.3-119.3 141.3 12.6 23.6 11.0 17 42 A a E -C 9 0B 5 -8,-2.3 -8,-1.7 -2,-0.4 2,-0.3 -0.829 32.5-109.8-136.7-174.6 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.3 -10,-0.2 -0.916 31.5-105.0-122.8 146.9 19.5 24.5 10.7 19 44 A V - 0 0 0 -12,-2.4 -13,-3.2 -2,-0.3 127,-0.8 -0.508 28.2-166.3 -67.2 134.4 22.5 22.4 11.9 20 44AA G - 0 0 0 12,-1.9 126,-0.3 125,-0.3 2,-0.3 0.912 56.9 -27.2 -87.8 -77.2 25.2 24.3 13.7 21 45 A F E -E 32 0B 3 11,-0.9 11,-2.2 -16,-0.1 2,-0.3 -0.996 55.1-112.0-146.4 141.5 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 -0.574 47.9 163.2 -66.4 132.8 29.3 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.3 7,-2.3 -2,-0.3 2,-0.3 -0.913 25.8-141.1-142.7 169.1 30.7 17.5 17.4 24 48 A T E -EF 29 194B 47 170,-2.2 170,-2.5 -2,-0.3 2,-0.4 -0.954 6.4-160.6-132.7 157.6 31.4 14.3 19.4 25 48AA R E > S-E 28 0B 116 3,-2.5 3,-2.2 -2,-0.3 168,-0.1 -0.832 73.3 -58.9-136.1 91.1 31.0 13.4 23.0 26 48BA G T 3 S- 0 0 68 -2,-0.4 -1,-0.3 1,-0.3 168,-0.1 -0.455 122.8 -15.1 68.1-133.6 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 0.494 117.5 102.9 -75.0 -5.7 31.9 7.8 21.1 28 49 A T E < -E 25 0B 56 -3,-2.2 -3,-2.5 40,-0.0 2,-0.3 -0.705 61.7-147.5 -87.4 135.5 28.6 9.7 20.6 29 50 A K E +E 24 0B 60 40,-0.5 40,-2.7 -2,-0.4 2,-0.3 -0.710 33.4 144.7 -89.2 145.3 28.1 11.8 17.4 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.3 -0.942 37.4-129.5-160.7 179.1 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 -0.988 21.3-125.6-138.4 147.7 25.6 18.4 16.4 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-1.9 -2,-0.3 -11,-0.9 -0.679 40.6 152.6 -84.3 146.8 25.2 21.7 18.3 33 54 A T E - G 0 65B 0 32,-2.1 32,-1.6 -2,-0.3 2,-0.2 -0.851 48.2 -56.3-155.4-172.2 22.1 23.9 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 -2,-0.2 30,-0.3 -0.587 36.9-136.1 -81.9 144.4 19.9 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.3 24,-0.2 0.867 101.7 60.8 -67.3 -36.0 18.1 25.6 22.4 36 57 A H G 3 S+ 0 0 41 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.597 88.4 77.2 -69.9 -12.2 14.8 27.2 21.3 37 58 A a G < S- 0 0 9 -3,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.763 109.1 -11.4 -70.2 -25.4 14.6 24.7 18.4 38 59 A G < - 0 0 8 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 -0.995 62.4-115.9-166.0 163.3 13.5 21.7 20.5 39 59AA T > - 0 0 73 -2,-0.3 3,-2.5 1,-0.2 15,-0.3 -0.677 59.1 -65.4-101.0 168.0 13.0 20.3 23.9 40 59BA V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.157 123.4 14.0 -57.2 139.2 14.9 17.4 25.4 41 60 A N T 3 S+ 0 0 121 13,-3.0 -1,-0.3 1,-0.2 14,-0.1 0.415 86.6 147.1 68.7 4.8 14.1 14.2 23.6 42 61 A A < - 0 0 4 -3,-2.5 12,-2.1 1,-0.1 2,-0.5 -0.405 54.0-110.4 -62.0 144.6 12.5 15.9 20.6 43 62 A T E - H 0 53B 37 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.723 26.6-154.7 -84.6 123.6 13.1 13.9 17.4 44 64 A A E -DH 11 52B 0 8,-2.4 7,-2.5 -2,-0.5 8,-1.3 -0.800 13.2-173.5 -97.2 134.9 15.4 15.5 14.7 45 65 A R E -DH 10 50B 48 -35,-2.1 -35,-2.1 -2,-0.4 2,-0.5 -0.962 13.5-161.2-126.9 144.7 14.9 14.4 11.1 46 66 A I E > S- H 0 49B 26 3,-2.7 3,-1.2 -2,-0.4 -37,-0.1 -0.973 82.2 -14.5-129.5 113.6 16.9 15.2 8.0 47 67 A G T 3 S- 0 0 83 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.890 130.6 -49.6 66.7 43.8 15.1 14.7 4.7 48 81 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.128 117.5 105.7 85.7 -22.3 12.3 12.7 6.3 49 82 A A E < S-H 46 0B 57 -3,-1.2 -3,-2.7 1,-0.0 2,-0.3 -0.738 74.9-114.5-100.0 142.5 14.6 10.3 8.2 50 83 A V E +H 45 0B 75 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.506 34.3 172.4 -69.4 124.8 15.2 10.3 11.9 51 84 A V E - 0 0 2 -7,-2.5 19,-2.3 1,-0.3 2,-0.3 0.651 56.1 -57.6-109.5 -21.5 18.8 11.2 12.7 52 85 A G E -HI 44 69B 5 -8,-1.3 -8,-2.4 17,-0.3 -1,-0.3 -0.984 52.6 -89.9 169.6-163.1 18.7 11.6 16.5 53 87 A T E -HI 43 68B 53 15,-2.1 15,-2.3 -2,-0.3 2,-0.3 -0.959 42.9 -88.1-141.9 155.6 17.1 13.4 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.0 -15,-0.3 13,-0.3 -0.511 39.2-176.1 -64.0 122.7 17.7 16.5 21.5 55 88AA A E - 0 0 35 11,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.832 62.5 -12.1 -92.1 -36.9 20.1 15.5 24.3 56 89 A A E + I 0 66B 19 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.971 63.1 170.8-157.2 156.9 20.2 18.7 26.3 57 90 A R E - I 0 65B 71 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.967 19.4-154.5-163.8 159.3 19.2 22.4 25.9 58 91 A V E - I 0 64B 43 6,-2.3 6,-2.3 -2,-0.3 -23,-0.3 -0.949 25.0-179.4-140.7 124.2 19.0 25.7 27.8 59 94 A F + 0 0 24 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.822 55.6 19.9-166.8 136.4 16.5 28.3 26.5 60 95 A P S S+ 0 0 46 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.609 120.6 42.7 -77.0-151.1 15.8 31.0 27.5 61 100 A G B S+j 128 0C 32 66,-2.5 68,-2.6 -2,-0.2 2,-0.2 -0.638 136.7 10.1 87.2 -70.3 18.6 32.5 29.7 62 101 A N S S- 0 0 53 -2,-1.6 2,-0.1 66,-0.2 68,-0.1 -0.566 78.5-134.7-118.8-178.1 21.0 31.0 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.571 53.8 119.4-143.6 84.7 20.0 29.6 23.7 64 103 A R E + I 0 58B 19 -6,-2.3 -6,-2.3 -30,-0.3 2,-0.3 -0.976 23.2 158.9-148.1 153.1 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 21.0-147.6-161.7 161.3 21.3 22.6 22.5 66 105 A W E -GI 32 56B 8 -10,-1.7 -11,-2.8 -2,-0.3 -10,-1.3 -0.988 11.2-148.5-138.5 145.8 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 -0.951 14.5-137.6-108.4 123.5 21.3 16.6 19.3 68 107 A S E -GI 30 53B 29 -15,-2.3 -15,-2.1 -2,-0.5 -38,-0.3 -0.775 23.7-149.8 -90.1 134.0 22.8 13.1 19.7 69 108 A L E - I 0 52B 14 -40,-2.7 -40,-0.5 -2,-0.5 -17,-0.3 -0.562 16.5-106.5 -98.7 155.4 22.8 11.3 16.5 70 109 A T > - 0 0 66 -19,-2.3 3,-2.0 -2,-0.2 -1,-0.1 -0.473 40.2-108.0 -76.2 163.1 22.6 7.6 15.7 71 110 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.0 0.583 112.4 74.9 -76.6 -4.7 25.9 6.1 14.6 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.603 77.2 99.0 -75.8 -14.7 24.7 5.8 11.0 73 112 A Q S < S- 0 0 11 -3,-2.0 2,-0.6 -22,-0.2 -71,-0.2 -0.485 70.5-136.8 -75.6 147.5 25.2 9.5 10.6 74 113 A T E -a 2 0A 65 -73,-2.4 -71,-3.3 -2,-0.1 2,-0.4 -0.940 15.1-151.1-109.2 112.6 28.4 10.9 9.0 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.693 15.2-167.7 -83.9 134.1 29.8 13.9 10.8 76 119 A L E - 0 0 32 -73,-1.7 2,-1.9 -2,-0.4 -54,-0.5 -0.951 29.2-131.3-129.8 141.5 31.7 16.3 8.6 77 120 A P E S+ 0 0 17 0, 0.0 11,-3.0 0, 0.0 2,-0.3 -0.196 75.2 102.0 -77.8 48.4 34.0 19.2 9.4 78 120AA R E - B 0 87A 93 -2,-1.9 -73,-2.9 -75,-0.3 2,-0.4 -0.941 56.9-150.7-142.4 158.1 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.8 7,-2.0 -2,-0.3 2,-0.2 -0.974 36.4-111.3-123.6 132.6 29.6 24.3 6.7 80 120CA A E + B 0 85A 20 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.462 33.4 175.1 -67.9 129.8 27.5 24.7 3.5 81 120DA N E > - 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