==== 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 1GBC . 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) . 7903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.2 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 . 14 7.0 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 55 0, 0.0 73,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 152.5 22.7 11.7 6.4 2 15BA N E -a 74 0A 91 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.821 360.0-137.7 -90.1 127.3 25.9 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 -0.839 34.1 164.2 -97.4 113.8 25.9 16.3 8.8 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.4 71,-0.1 75,-0.3 -0.968 43.9-100.6-127.8 139.2 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 -0.330 105.1 27.4 -57.6 133.0 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-2.9 -1,-0.2 1,-0.3 102,-0.1 0.213 86.6 125.9 106.5 -18.0 23.8 25.0 7.7 7 31 A I < - 0 0 45 -3,-1.4 12,-2.3 97,-0.1 -1,-0.3 -0.332 61.4-100.9 -82.9 157.8 21.5 22.3 6.5 8 32 A E E +C 18 0B 86 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.451 39.2 169.3 -73.8 143.6 17.8 21.9 7.4 9 33 A Y E -C 17 0B 1 8,-1.9 8,-2.5 -2,-0.1 2,-0.3 -0.964 23.4-133.5-145.6 156.4 16.5 19.5 9.9 10 34 A S E -CD 16 45B 20 35,-2.2 35,-1.9 -2,-0.3 2,-0.5 -0.786 8.2-138.5-108.7 159.1 13.0 19.3 11.4 11 35 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.0 -2,-0.3 4,-0.8 -0.974 80.5 -23.7-121.7 117.7 11.9 18.9 15.0 12 36 A N T 34 S- 0 0 83 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.846 116.5 -65.9 48.7 41.4 9.0 16.5 15.8 13 38 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.701 129.6 69.5 59.1 26.6 7.7 16.8 12.2 14 39 A A T <4 S+ 0 0 79 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.492 81.6 46.3-136.8 -81.9 6.8 20.5 12.8 15 40 A S E < -C 11 0B 71 -4,-0.8 -4,-2.3 22,-0.1 2,-0.4 -0.295 63.6-142.7 -70.8 161.6 9.5 23.3 13.2 16 41 A L E +C 10 0B 68 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.946 24.9 163.6-118.6 138.0 12.6 23.6 11.0 17 42 A a E -C 9 0B 5 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.4 -0.823 32.0-109.8-136.3-175.7 16.0 24.7 12.2 18 43 A S E -C 8 0B 0 125,-2.7 16,-0.3 -2,-0.3 -10,-0.2 -0.929 29.8-108.3-120.0 146.8 19.5 24.6 10.8 19 44 A V - 0 0 0 -12,-2.3 -13,-2.9 -2,-0.4 127,-0.8 -0.486 26.3-167.1 -67.1 135.7 22.5 22.5 11.9 20 44AA G - 0 0 0 12,-1.9 2,-0.3 1,-0.3 126,-0.3 0.906 57.1 -25.7 -88.9 -77.1 25.2 24.4 13.7 21 45 A F E -E 32 0B 3 11,-1.0 11,-2.1 -16,-0.1 2,-0.3 -0.994 55.5-112.1-144.6 140.6 28.4 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 -0.596 48.1 165.4 -64.7 133.4 29.3 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.3 -2,-0.3 2,-0.3 -0.918 25.9-138.5-143.0 165.4 30.7 17.5 17.4 24 48 A T E -EF 29 194B 48 170,-2.4 170,-2.8 -2,-0.3 2,-0.3 -0.946 7.0-162.5-128.2 155.2 31.4 14.4 19.4 25 48AA R E > S-E 28 0B 115 3,-2.6 3,-2.1 -2,-0.3 2,-0.1 -0.805 73.2 -62.0-131.0 87.3 30.9 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 -0.481 122.4 -13.7 65.5-131.5 33.3 10.5 23.5 27 48CA A T 3 S+ 0 0 108 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.533 118.0 103.5 -76.3 -4.7 32.0 7.8 21.1 28 49 A T E < -E 25 0B 55 -3,-2.1 -3,-2.6 40,-0.0 2,-0.3 -0.691 61.4-146.9 -89.6 135.1 28.6 9.7 20.6 29 50 A K E +E 24 0B 64 40,-0.5 40,-2.7 -2,-0.4 2,-0.3 -0.675 34.0 141.7 -89.4 143.4 28.0 11.7 17.4 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.3 -0.961 38.2-127.6-161.7-178.2 26.0 14.9 17.6 31 52 A F E -EG 22 67B 0 36,-1.6 36,-2.4 -2,-0.3 2,-0.3 -0.992 20.8-126.2-139.2 146.7 25.5 18.4 16.4 32 53 A V E +EG 21 66B 0 -11,-2.1 -12,-1.9 -2,-0.3 -11,-1.0 -0.687 39.9 152.8 -86.3 146.1 25.1 21.7 18.3 33 54 A T E - G 0 65B 0 32,-2.0 32,-1.5 -2,-0.3 2,-0.2 -0.841 48.5 -58.1-155.2-173.9 22.1 23.9 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.1 -2,-0.2 30,-0.3 -0.547 37.1-135.5 -81.6 147.4 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 0.881 101.4 62.3 -70.1 -34.7 18.0 25.7 22.3 36 57 A H G 3 S+ 0 0 41 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.588 88.4 76.6 -68.7 -10.8 14.7 27.2 21.2 37 58 A a G < S- 0 0 8 -3,-1.1 2,-0.3 1,-0.2 -1,-0.3 0.746 108.8 -9.2 -71.3 -26.6 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 -0.991 63.0-116.2-164.4 158.3 13.5 21.7 20.4 39 59AA T > - 0 0 73 -2,-0.3 3,-2.3 1,-0.2 15,-0.3 -0.607 59.9 -67.6 -91.7 167.9 12.9 20.3 23.9 40 59BA V T 3 S+ 0 0 69 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.236 123.7 16.4 -58.8 138.2 14.9 17.5 25.3 41 60 A N T 3 S+ 0 0 116 13,-3.2 -1,-0.3 1,-0.3 2,-0.1 0.439 85.5 146.8 72.0 7.6 14.1 14.2 23.5 42 61 A A < - 0 0 3 -3,-2.3 12,-2.1 1,-0.1 2,-0.5 -0.449 53.8-112.2 -63.3 142.2 12.4 16.0 20.6 43 62 A T E - H 0 53B 38 10,-0.2 -31,-2.6 -2,-0.1 2,-0.4 -0.716 25.8-153.2 -83.5 125.7 13.1 13.9 17.4 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.7 -2,-0.5 8,-1.4 -0.804 12.9-172.4 -98.7 134.3 15.3 15.4 14.7 45 65 A R E -DH 10 50B 47 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.5 -0.948 11.8-162.5-123.5 144.9 14.8 14.4 11.1 46 66 A I E > S- H 0 49B 26 3,-2.9 3,-1.5 -2,-0.4 -37,-0.1 -0.977 80.5 -14.1-130.0 116.5 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 0.884 131.6 -48.1 64.9 46.2 15.3 14.7 4.7 48 81 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.130 118.0 106.8 83.7 -20.5 12.4 12.6 6.1 49 82 A A E < S-H 46 0B 55 -3,-1.5 -3,-2.9 1,-0.0 2,-0.3 -0.732 73.9-115.2-103.3 145.9 14.7 10.3 8.2 50 83 A V E +H 45 0B 76 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.538 35.8 170.0 -72.3 123.8 15.2 10.2 12.0 51 84 A V E - 0 0 1 -7,-2.7 19,-2.3 1,-0.4 2,-0.3 0.611 55.5 -55.1-111.3 -22.8 18.8 11.2 12.7 52 85 A G E -HI 44 69B 5 -8,-1.4 -8,-2.6 17,-0.3 -1,-0.4 -0.987 51.3 -90.0 172.6-168.3 18.7 11.6 16.5 53 87 A T E -HI 43 68B 48 15,-2.1 15,-2.5 -2,-0.3 2,-0.3 -0.969 41.7 -93.3-134.8 154.7 17.1 13.3 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.2 -15,-0.3 13,-0.3 -0.503 37.9-175.5 -64.5 123.0 17.7 16.6 21.5 55 88AA A E - 0 0 34 11,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.785 63.0 -11.7 -93.7 -34.5 20.0 15.5 24.4 56 89 A A E + I 0 66B 19 10,-1.2 10,-1.6 -17,-0.1 -1,-0.4 -0.975 62.0 172.4-158.5 156.5 20.1 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 -0.966 18.8-153.3-160.5 159.0 19.2 22.5 25.8 58 91 A V E - I 0 64B 40 6,-2.4 6,-2.3 -2,-0.3 -23,-0.3 -0.955 25.8-179.7-136.2 122.3 19.0 25.7 27.7 59 94 A F + 0 0 24 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.798 54.7 22.4-165.1 132.9 16.4 28.3 26.5 60 95 A P S S+ 0 0 49 0, 0.0 2,-1.3 0, 0.0 68,-0.2 0.584 120.5 39.6 -79.8-157.3 15.7 31.0 27.5 61 100 A G B S+j 128 0C 32 66,-2.3 68,-3.1 -2,-0.2 2,-0.2 -0.639 136.5 11.9 95.2 -68.7 18.6 32.6 29.6 62 101 A N S S- 0 0 55 -2,-1.3 2,-0.2 66,-0.2 68,-0.1 -0.588 79.2-136.9-117.1-179.8 21.0 31.1 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.587 52.0 118.8-143.8 85.3 20.0 29.6 23.7 64 103 A R E + I 0 58B 18 -6,-2.3 -6,-2.4 -30,-0.3 2,-0.3 -0.972 23.3 159.5-148.6 158.5 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.5 -32,-2.0 -2,-0.3 2,-0.3 -0.969 20.8-146.2-166.0 163.6 21.3 22.6 22.5 66 105 A W E -GI 32 56B 7 -10,-1.6 -11,-2.7 -2,-0.3 -10,-1.2 -0.988 12.4-145.7-141.9 148.1 23.0 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.6 -2,-0.3 2,-0.5 -0.955 13.3-137.5-113.3 125.5 21.3 16.6 19.3 68 107 A S E -GI 30 53B 30 -15,-2.5 -15,-2.1 -2,-0.5 -38,-0.3 -0.785 24.7-151.6 -92.5 128.3 22.7 13.1 19.8 69 108 A L E - I 0 52B 13 -40,-2.7 -40,-0.5 -2,-0.5 -17,-0.3 -0.587 15.7-106.1 -96.4 154.9 22.8 11.2 16.6 70 109 A T > - 0 0 64 -19,-2.3 3,-1.8 -2,-0.2 -1,-0.1 -0.393 40.2-103.8 -74.0 164.7 22.6 7.6 15.8 71 110 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.691 113.6 70.9 -63.4 -21.1 25.7 5.8 14.7 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.614 76.4 100.9 -72.6 -14.1 24.7 5.8 11.1 73 112 A Q < - 0 0 12 -3,-1.8 2,-0.6 -22,-0.2 -71,-0.2 -0.450 68.3-137.1 -78.2 144.3 25.2 9.5 10.7 74 113 A T E -a 2 0A 65 -73,-2.3 -71,-3.3 -2,-0.1 2,-0.4 -0.949 16.1-151.6-104.5 114.8 28.3 10.8 9.0 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -73,-0.0 -0.703 15.1-169.1 -86.9 136.0 29.8 13.9 10.8 76 119 A L E - 0 0 35 -73,-1.5 2,-1.9 -2,-0.4 -54,-0.5 -0.961 31.1-130.0-134.1 143.1 31.8 16.3 8.7 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.255 76.3 102.0 -78.3 49.3 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 -0.960 55.5-153.9-143.6 156.9 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.6 7,-1.9 -2,-0.3 -73,-0.2 -0.969 36.9-110.0-126.9 137.2 29.6 24.3 6.8 80 120CA A E + B 0 85A 19 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.424 32.5 176.5 -74.7 134.4 27.5 24.7 3.6 81 120DA N E > - 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