==== 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 1GBD . 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) . 7850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 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 . 82 40.8 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 . 20 10.0 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 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 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 54 0, 0.0 73,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 149.9 22.6 11.8 6.4 2 15BA N E -a 74 0A 94 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.816 360.0-135.7 -86.7 129.5 25.8 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.3 73,-1.5 -2,-0.5 2,-0.3 -0.844 34.9 164.8 -98.6 115.6 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 -0.967 43.2-102.4-130.6 136.0 27.0 19.7 7.4 5 18 A G E 3 S+a 79 0A 0 73,-2.9 75,-2.9 -2,-0.3 15,-0.2 -0.356 104.4 26.9 -59.2 134.7 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.2 -1,-0.2 1,-0.3 102,-0.1 0.251 86.6 126.6 102.6 -13.1 23.8 25.1 7.8 7 31 A I < - 0 0 45 -3,-1.5 12,-2.3 97,-0.1 -1,-0.3 -0.399 61.8-100.8 -84.5 158.9 21.5 22.3 6.5 8 32 A E E +C 18 0B 84 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.444 39.3 169.9 -73.5 145.7 17.8 22.0 7.4 9 33 A Y E -C 17 0B 1 8,-1.9 8,-2.3 -2,-0.1 2,-0.3 -0.965 23.6-133.4-146.5 154.6 16.4 19.6 10.0 10 34 A S E -CD 16 45B 20 35,-2.2 35,-2.3 -2,-0.3 2,-0.5 -0.800 8.5-139.5-109.0 157.7 12.9 19.3 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.2 -2,-0.3 4,-1.0 -0.974 80.9 -20.3-121.8 120.5 11.9 19.0 15.1 12 36 A N T 34 S- 0 0 84 31,-2.5 -1,-0.2 -2,-0.5 32,-0.1 0.821 117.5 -65.9 49.7 40.4 9.0 16.6 15.8 13 38 A N T 34 S+ 0 0 115 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.726 129.9 69.1 58.4 27.6 7.7 16.9 12.3 14 39 A A T <4 S+ 0 0 77 -3,-2.2 -2,-0.2 1,-0.4 -1,-0.1 0.526 80.3 46.2-138.9 -76.6 6.9 20.6 12.8 15 40 A S E < -C 11 0B 72 -4,-1.0 -4,-2.3 22,-0.1 -1,-0.4 -0.381 63.8-142.5 -76.8 161.3 9.6 23.4 13.2 16 41 A L E +C 10 0B 64 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.912 25.1 162.8-118.1 141.8 12.6 23.7 11.0 17 42 A a E -C 9 0B 4 -8,-2.3 -8,-1.9 -2,-0.4 2,-0.3 -0.861 33.2-108.9-141.4-174.5 16.0 24.8 12.1 18 43 A S E -C 8 0B 0 125,-2.8 16,-0.3 -2,-0.3 -10,-0.2 -0.901 31.3-106.5-122.9 148.7 19.5 24.6 10.7 19 44 A V - 0 0 0 -12,-2.3 -13,-3.2 -2,-0.3 127,-0.8 -0.510 27.1-166.7 -70.6 137.5 22.5 22.4 11.9 20 44AA G - 0 0 0 12,-1.7 2,-0.3 125,-0.3 126,-0.3 0.902 56.9 -26.9 -91.9 -72.9 25.2 24.4 13.6 21 45 A F E -E 32 0B 3 11,-1.1 11,-2.0 -16,-0.1 -1,-0.3 -0.997 54.7-112.0-149.5 141.9 28.3 22.1 13.9 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.583 46.9 164.8 -67.1 134.2 29.3 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.4 7,-2.3 -2,-0.3 2,-0.3 -0.919 25.5-140.4-143.5 165.4 30.7 17.5 17.4 24 48 A T E -EF 29 194B 47 170,-2.3 170,-2.7 -2,-0.3 2,-0.3 -0.946 6.3-162.4-127.4 155.0 31.4 14.3 19.4 25 48AA R E > S-E 28 0B 122 3,-2.5 3,-2.0 -2,-0.3 168,-0.1 -0.827 73.7 -58.8-132.4 91.3 31.0 13.4 23.0 26 48BA G T 3 S- 0 0 69 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.470 122.6 -15.7 68.1-137.5 33.2 10.4 23.5 27 48CA A T 3 S+ 0 0 107 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.416 117.6 104.2 -72.6 -1.1 31.9 7.8 21.0 28 49 A T E < -E 25 0B 56 -3,-2.0 -3,-2.5 40,-0.0 2,-0.3 -0.741 61.0-147.5 -90.0 138.8 28.6 9.8 20.6 29 50 A K E +EG 24 69B 63 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.739 33.3 141.8 -94.1 146.5 28.0 11.8 17.4 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.3 -0.959 38.0-127.6-164.5 178.9 26.0 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.7 36,-2.4 -2,-0.3 2,-0.3 -0.989 21.1-126.1-138.3 149.0 25.5 18.5 16.4 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-1.7 -2,-0.3 -11,-1.1 -0.697 39.6 153.6 -87.3 146.8 25.1 21.8 18.2 33 54 A T E - G 0 65B 0 32,-1.9 32,-1.6 -2,-0.3 2,-0.2 -0.819 48.4 -58.2-156.8-173.5 22.1 23.9 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 -2,-0.2 4,-0.3 -0.607 37.5-134.3 -85.5 146.2 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 0.856 102.8 60.9 -67.1 -34.4 18.1 25.7 22.4 36 57 A H G 3 S+ 0 0 41 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.629 87.3 77.9 -71.6 -12.4 14.8 27.3 21.2 37 58 A a G < S- 0 0 8 -3,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.793 109.9 -16.1 -67.3 -28.6 14.7 24.8 18.3 38 59 A G < - 0 0 8 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 -0.992 62.1-111.8-165.7 167.3 13.5 21.8 20.4 39 59AA T > - 0 0 73 -2,-0.3 3,-2.4 1,-0.2 15,-0.3 -0.673 59.5 -66.5-102.3 166.5 13.1 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 -0.167 122.9 16.1 -55.6 138.4 15.0 17.5 25.3 41 60 A N T 3 S+ 0 0 121 13,-3.2 -1,-0.3 1,-0.3 14,-0.1 0.389 86.3 146.0 71.2 4.5 14.1 14.2 23.6 42 61 A A < - 0 0 3 -3,-2.4 12,-2.1 1,-0.1 2,-0.5 -0.412 53.9-111.2 -63.2 144.0 12.5 16.0 20.6 43 62 A T E - H 0 53B 36 10,-0.2 -31,-2.5 -3,-0.1 2,-0.5 -0.695 25.6-153.0 -87.3 128.6 13.1 14.0 17.4 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.7 -2,-0.5 8,-1.1 -0.833 12.8-171.2-100.8 131.4 15.3 15.5 14.7 45 65 A R E -DH 10 50B 49 -35,-2.3 -35,-2.2 -2,-0.5 2,-0.5 -0.961 11.7-164.5-123.4 143.3 14.8 14.5 11.1 46 66 A I E > S- H 0 49B 25 3,-2.8 3,-1.4 -2,-0.4 -37,-0.1 -0.973 81.4 -14.4-128.3 114.7 16.9 15.3 8.1 47 67 A G T 3 S- 0 0 86 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.887 130.6 -50.5 65.3 42.3 15.2 14.7 4.7 48 81 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.127 117.0 105.5 85.2 -21.4 12.4 12.8 6.2 49 82 A A E < S-H 46 0B 57 -3,-1.4 -3,-2.8 1,-0.0 2,-0.2 -0.750 75.4-112.9 -99.2 144.4 14.6 10.3 8.3 50 83 A V E +H 45 0B 74 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.486 35.4 172.9 -67.1 127.1 15.1 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.7 19,-2.4 1,-0.4 2,-0.3 0.631 56.0 -57.0-112.6 -22.0 18.8 11.3 12.7 52 85 A G E -HI 44 69B 6 -8,-1.1 -8,-2.6 17,-0.3 -1,-0.4 -0.979 53.0 -89.6 171.7-162.6 18.7 11.6 16.5 53 87 A T E -HI 43 68B 52 15,-2.1 15,-2.5 -2,-0.3 2,-0.3 -0.972 41.9 -89.9-140.2 155.2 17.1 13.4 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.2 -15,-0.3 13,-0.3 -0.496 38.7-176.2 -63.3 120.6 17.7 16.6 21.5 55 88AA A E - 0 0 35 11,-2.5 2,-0.3 1,-0.4 12,-0.2 0.805 63.2 -12.4 -93.3 -34.9 20.0 15.5 24.4 56 89 A A E + I 0 66B 20 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.973 62.8 172.1-160.4 155.2 20.2 18.8 26.3 57 90 A R E - I 0 65B 72 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.969 18.8-153.9-160.2 162.8 19.2 22.4 25.8 58 91 A V E - I 0 64B 39 6,-2.4 6,-2.4 -2,-0.3 -23,-0.3 -0.920 24.9-179.5-143.0 120.4 19.0 25.7 27.7 59 94 A F + 0 0 22 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.843 55.1 19.5-163.7 136.4 16.5 28.3 26.5 60 95 A P S S+ 0 0 46 0, 0.0 2,-1.7 0, 0.0 68,-0.2 0.604 120.7 42.0 -79.3-151.8 15.8 31.1 27.4 61 100 A G B S+j 128 0C 31 66,-2.5 68,-2.8 -2,-0.2 2,-0.2 -0.646 137.2 10.6 88.7 -72.9 18.7 32.5 29.6 62 101 A N S S- 0 0 54 -2,-1.7 2,-0.1 66,-0.2 68,-0.1 -0.552 78.8-136.5-116.3-177.4 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 -0.592 52.9 119.1-145.6 85.2 20.0 29.6 23.7 64 103 A R E + I 0 58B 19 -6,-2.4 -6,-2.4 -30,-0.3 2,-0.3 -0.980 23.4 159.8-150.0 153.2 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-1.9 -2,-0.3 2,-0.3 -0.963 20.3-149.1-160.9 164.0 21.3 22.6 22.5 66 105 A W E -GI 32 56B 10 -10,-1.7 -11,-2.5 -2,-0.3 -10,-1.3 -0.979 11.7-148.3-142.4 147.7 23.0 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.7 -2,-0.3 2,-0.5 -0.964 13.6-137.4-115.5 126.9 21.3 16.6 19.4 68 107 A S E -GI 30 53B 29 -15,-2.5 -15,-2.1 -2,-0.5 -38,-0.3 -0.795 23.7-151.0 -95.9 133.5 22.8 13.2 19.7 69 108 A L E -GI 29 52B 15 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.3 -0.561 16.4-104.0 -98.4 158.2 22.8 11.3 16.5 70 109 A T > - 0 0 63 -19,-2.4 3,-1.8 -2,-0.2 -1,-0.1 -0.382 39.9-104.7 -75.2 166.1 22.6 7.6 15.7 71 110 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.706 114.2 73.2 -64.8 -21.4 25.8 5.8 14.6 72 111 A A T 3 S+ 0 0 75 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.604 77.2 95.9 -68.8 -16.6 24.5 5.8 11.0 73 112 A Q < - 0 0 11 -3,-1.8 2,-0.6 -22,-0.2 -71,-0.2 -0.462 69.6-136.7 -80.9 149.6 25.1 9.6 10.6 74 113 A T E -a 2 0A 64 -73,-2.2 -71,-3.3 -2,-0.1 2,-0.4 -0.963 15.0-149.8-111.1 114.3 28.3 10.9 9.0 75 114 A L E -a 3 0A 27 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.688 16.1-167.1 -83.5 132.4 29.8 13.9 10.8 76 119 A L E - 0 0 33 -73,-1.5 2,-1.9 -2,-0.4 -54,-0.5 -0.959 29.2-132.0-128.1 140.2 31.6 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 -0.195 75.7 101.7 -74.6 48.0 34.0 19.2 9.5 78 120AA R E - B 0 87A 92 -2,-1.9 -73,-2.9 -75,-0.3 2,-0.4 -0.954 56.9-150.7-143.5 156.6 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-2.0 7,-1.9 -2,-0.3 -73,-0.2 -0.975 35.5-111.6-124.9 134.3 29.6 24.3 6.7 80 120CA A E + B 0 85A 18 -75,-2.9 2,-0.3 -2,-0.4 5,-0.2 -0.417 32.8 175.4 -68.8 132.4 27.4 24.6 3.5 81 120DA N E > - 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