==== 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 1GBH . 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) . 7858.0 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 . 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 . 9 4.5 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 2 3 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 56 0, 0.0 73,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 153.2 22.7 11.9 6.4 2 15BA N E -a 74 0A 94 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.826 360.0-136.5 -87.9 126.5 25.9 13.8 6.1 3 16 A I E +a 75 0A 0 71,-3.2 73,-1.8 -2,-0.5 2,-0.3 -0.855 35.7 162.5 -97.7 110.1 26.0 16.4 8.9 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.962 44.1-104.3-128.2 136.5 27.2 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-2.8 75,-3.0 -2,-0.3 15,-0.2 -0.322 104.1 33.4 -59.1 141.1 26.7 23.1 9.3 6 19 A G T 3 S+ 0 0 4 13,-3.3 -1,-0.2 1,-0.3 102,-0.1 0.110 87.0 125.6 101.8 -22.7 24.0 25.2 7.7 7 31 A I < - 0 0 44 -3,-1.5 12,-2.5 11,-0.1 -1,-0.3 -0.327 61.3-101.8 -82.0 158.0 21.6 22.4 6.6 8 32 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.429 38.6 169.1 -74.2 143.7 17.9 22.0 7.4 9 33 A Y E -C 17 0B 1 8,-2.1 8,-2.1 -2,-0.1 2,-0.3 -0.975 23.3-134.5-146.7 151.0 16.5 19.6 10.0 10 34 A S E -CD 16 45B 21 35,-2.3 35,-2.3 -2,-0.3 2,-0.5 -0.804 7.8-139.3-106.9 159.4 13.1 19.4 11.5 11 35 A I E >> S-CD 15 44B 9 4,-2.2 3,-1.5 -2,-0.3 4,-1.0 -0.964 80.5 -23.1-122.1 115.0 12.0 19.0 15.1 12 36 A N T 34 S- 0 0 86 31,-2.9 -1,-0.1 -2,-0.5 32,-0.1 0.823 116.7 -65.9 52.9 35.4 9.1 16.6 15.9 13 38 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.732 128.7 68.7 63.4 29.7 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 78 -3,-1.5 -2,-0.2 1,-0.4 -1,-0.1 0.511 81.3 45.0-141.8 -77.9 6.9 20.6 12.7 15 40 A S E < -C 11 0B 74 -4,-1.0 -4,-2.2 22,-0.1 -1,-0.4 -0.430 65.1-142.2 -76.4 161.5 9.5 23.5 13.2 16 41 A L E +C 10 0B 64 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.888 24.3 164.1-117.9 147.0 12.7 23.8 11.0 17 42 A a E -C 9 0B 4 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.3 -0.873 32.8-109.7-146.7-178.6 16.1 24.9 12.1 18 43 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.3 -10,-0.2 -0.899 32.0-105.5-121.3 147.5 19.6 24.7 10.7 19 44 A V - 0 0 0 -12,-2.5 -13,-3.3 -2,-0.3 127,-0.8 -0.480 27.6-166.5 -70.8 137.7 22.6 22.5 11.8 20 44AA G - 0 0 0 12,-1.4 2,-0.3 125,-0.3 126,-0.3 0.904 56.8 -26.0 -90.8 -75.1 25.3 24.5 13.6 21 45 A F E -E 32 0B 3 11,-1.0 11,-2.0 -16,-0.1 -1,-0.3 -0.997 54.7-113.5-146.3 140.3 28.4 22.2 13.9 22 46 A S E +E 31 0B 5 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.561 47.1 164.1 -64.1 134.4 29.4 18.5 14.0 23 47 A V E -EF 30 195B 0 7,-2.6 7,-2.5 172,-0.2 2,-0.3 -0.938 25.3-140.2-146.1 166.8 30.8 17.5 17.4 24 48 A T E -EF 29 194B 48 170,-2.4 170,-2.6 -2,-0.3 2,-0.3 -0.910 8.4-164.5-130.0 159.5 31.5 14.4 19.5 25 48AA R E > S-E 28 0B 120 3,-2.4 3,-2.1 1,-0.5 168,-0.1 -0.809 74.4 -58.6-143.1 89.9 31.2 13.5 23.2 26 48BA G T 3 S- 0 0 70 -2,-0.3 -1,-0.5 1,-0.3 168,-0.1 -0.398 122.2 -15.0 65.3-135.2 33.3 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 0.497 117.1 102.0 -74.0 -0.9 31.9 7.8 21.1 28 49 A T E < -E 25 0B 57 -3,-2.1 -3,-2.4 40,-0.0 2,-0.3 -0.749 60.7-150.3 -94.4 135.0 28.6 9.9 20.7 29 50 A K E +E 24 0B 57 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.737 31.2 145.4 -91.4 144.9 28.2 11.9 17.5 30 51 A G E -EG 23 68B 0 -7,-2.5 -7,-2.6 -2,-0.3 2,-0.3 -0.958 37.7-126.7-162.3 176.0 26.0 15.1 17.7 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.4 -2,-0.3 2,-0.3 -0.995 21.7-126.3-132.5 146.6 25.6 18.6 16.4 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-1.4 -2,-0.3 -11,-1.0 -0.709 40.0 156.9 -84.9 141.7 25.2 21.9 18.3 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.5 -2,-0.3 2,-0.3 -0.799 46.1 -59.7-149.8-174.5 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.3 -2,-0.2 4,-0.3 -0.596 36.7-135.0 -82.5 142.0 20.0 26.7 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 -2,-0.3 24,-0.2 0.875 101.8 61.3 -59.1 -38.5 18.2 25.9 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.541 87.9 76.9 -71.2 -8.0 14.9 27.5 21.2 37 58 A a G < S- 0 0 10 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.794 107.7 -12.6 -75.4 -27.4 14.6 24.9 18.4 38 59 A G < - 0 0 9 -3,-1.1 2,-0.2 -4,-0.3 -1,-0.2 -0.998 61.3-111.1-167.1 163.7 13.5 22.0 20.5 39 59AA T > - 0 0 73 -2,-0.3 3,-2.3 1,-0.2 15,-0.3 -0.614 58.7 -70.2 -97.5 165.7 13.0 20.5 23.9 40 59BA V T 3 S+ 0 0 66 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.222 122.2 17.0 -57.8 139.7 15.0 17.6 25.3 41 60 A N T 3 S+ 0 0 124 13,-3.2 -1,-0.3 1,-0.2 14,-0.1 0.378 85.7 147.2 71.9 3.9 14.1 14.3 23.6 42 61 A A < - 0 0 2 -3,-2.3 12,-1.8 1,-0.1 2,-0.5 -0.400 53.5-112.6 -63.0 141.5 12.5 16.0 20.6 43 62 A T E - H 0 53B 40 10,-0.2 -31,-2.9 -3,-0.1 2,-0.4 -0.713 27.1-153.4 -82.3 126.1 13.1 14.0 17.4 44 64 A A E -DH 11 52B 0 8,-2.5 7,-2.3 -2,-0.5 8,-1.1 -0.783 11.9-170.2 -97.8 138.3 15.3 15.5 14.8 45 65 A R E -DH 10 50B 45 -35,-2.3 -35,-2.3 -2,-0.4 2,-0.5 -0.962 12.7-166.0-127.0 142.6 14.9 14.6 11.1 46 66 A I E > S- H 0 49B 26 3,-2.9 3,-1.2 -2,-0.4 -37,-0.1 -0.975 83.1 -10.9-127.2 115.5 17.0 15.3 8.1 47 67 A G T 3 S- 0 0 87 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.852 130.8 -52.1 69.5 38.9 15.3 14.7 4.8 48 81 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.272 117.7 109.3 82.8 -8.0 12.4 12.8 6.3 49 82 A A E < S-H 46 0B 54 -3,-1.2 -3,-2.9 1,-0.0 2,-0.2 -0.838 74.0-114.2-112.4 138.4 14.7 10.5 8.3 50 83 A V E +H 45 0B 77 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.450 37.0 167.6 -66.6 124.4 15.3 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.3 19,-2.3 1,-0.3 2,-0.3 0.687 56.5 -48.5-113.1 -26.0 18.9 11.3 12.7 52 85 A G E -HI 44 69B 5 -8,-1.1 -8,-2.5 17,-0.3 -1,-0.3 -0.965 51.1 -96.2 178.6-166.8 18.9 11.9 16.5 53 87 A T E -HI 43 68B 55 15,-2.0 15,-2.4 -2,-0.3 2,-0.4 -0.961 42.2 -92.1-138.2 153.6 17.2 13.5 19.6 54 88 A F E - I 0 67B 0 -12,-1.8 -13,-3.2 -15,-0.3 13,-0.3 -0.552 38.8-176.2 -65.6 121.9 17.8 16.7 21.6 55 88AA A E - 0 0 36 11,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.804 64.1 -12.9 -93.9 -32.7 20.1 15.6 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 63.4 173.9-161.5 154.4 20.2 18.8 26.4 57 90 A R E - I 0 65B 73 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.973 17.5-155.5-158.0 158.2 19.2 22.5 25.8 58 91 A V E + I 0 64B 41 6,-2.5 6,-2.4 -2,-0.3 -23,-0.3 -0.927 24.6 178.9-138.9 121.9 19.0 25.8 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.840 54.5 21.7-163.3 138.5 16.6 28.4 26.5 60 95 A P S S+ 0 0 47 0, 0.0 2,-1.7 0, 0.0 68,-0.2 0.569 121.0 40.8 -71.2-154.8 15.8 31.2 27.5 61 100 A G B S+j 128 0C 30 66,-2.6 68,-2.8 -2,-0.2 2,-0.2 -0.614 136.8 11.1 90.5 -69.1 18.7 32.6 29.6 62 101 A N S S- 0 0 53 -2,-1.7 2,-0.2 66,-0.2 68,-0.1 -0.622 78.7-136.1-120.3 176.7 21.1 31.2 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.585 53.1 118.3-139.5 86.7 20.1 29.7 23.7 64 103 A R E + I 0 58B 18 -6,-2.4 -6,-2.5 -30,-0.3 2,-0.3 -0.962 23.7 160.8-149.6 154.9 22.0 26.4 23.1 65 104 A A E -GI 33 57B 0 -32,-1.5 -32,-2.2 -2,-0.3 2,-0.4 -0.960 20.1-148.6-163.2 160.6 21.3 22.7 22.5 66 105 A W E -GI 32 56B 8 -10,-1.7 -11,-2.7 -2,-0.3 -10,-1.3 -0.984 11.5-147.8-142.3 142.2 23.0 19.6 21.1 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.5 -2,-0.4 2,-0.5 -0.942 14.5-136.1-106.6 122.5 21.3 16.7 19.4 68 107 A S E -GI 30 53B 28 -15,-2.4 -15,-2.0 -2,-0.5 -38,-0.3 -0.755 24.1-149.6 -89.0 131.9 22.8 13.3 19.8 69 108 A L E - I 0 52B 13 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.3 -0.504 15.5-109.5 -95.2 155.6 22.9 11.4 16.5 70 109 A T > - 0 0 68 -19,-2.3 3,-1.7 -2,-0.2 -1,-0.1 -0.486 39.2-108.1 -76.9 165.7 22.7 7.7 15.7 71 110 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.613 111.7 75.0 -76.9 -8.9 26.0 6.2 14.6 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.622 77.8 96.1 -68.9 -21.2 24.8 5.9 11.0 73 112 A Q S < S- 0 0 12 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.400 71.7-137.3 -74.0 151.1 25.2 9.6 10.6 74 113 A T E -a 2 0A 64 -73,-2.0 -71,-3.2 -2,-0.1 2,-0.4 -0.982 14.5-150.9-114.4 113.3 28.5 11.0 9.0 75 114 A L E -a 3 0A 28 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.717 15.8-167.4 -84.6 135.1 29.8 14.0 10.9 76 119 A L E - 0 0 34 -73,-1.8 2,-1.8 -2,-0.4 -54,-0.5 -0.966 29.9-129.3-128.4 143.4 31.8 16.3 8.6 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.191 76.3 105.3 -78.8 48.3 34.1 19.3 9.5 78 120AA R E - B 0 87A 92 -2,-1.8 -73,-2.8 -75,-0.3 2,-0.4 -0.925 55.3-154.8-140.3 154.1 32.2 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.6 7,-1.7 -2,-0.3 -73,-0.2 -0.981 36.2-110.8-124.9 133.4 29.7 24.3 6.8 80 120CA A E + B 0 85A 18 -75,-3.0 5,-0.2 -2,-0.4 2,-0.2 -0.403 34.0 173.4 -67.9 137.6 27.6 24.7 3.6 81 120DA N E > - 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