==== 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 1GBM . 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) . 7931.0 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 . 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 . 10 5.0 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 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 52 0, 0.0 73,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 156.2 22.6 11.8 6.4 2 15BA N E -a 74 0A 98 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.859 360.0-135.6 -89.6 128.3 25.8 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.1 73,-1.2 -2,-0.5 2,-0.4 -0.806 35.1 165.2 -94.5 113.8 25.9 16.3 8.8 4 17 A V E > - 0 0 14 -2,-0.7 3,-1.4 71,-0.1 15,-0.3 -0.974 43.0-101.6-130.0 137.5 27.1 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.0 75,-2.9 -2,-0.4 15,-0.2 -0.295 104.2 25.9 -57.2 134.5 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.4 -1,-0.2 1,-0.3 102,-0.1 0.238 87.5 124.5 101.3 -13.5 23.8 25.1 7.7 7 31 A I < - 0 0 47 -3,-1.4 12,-2.2 97,-0.1 -1,-0.3 -0.390 62.2 -99.4 -84.8 159.1 21.5 22.4 6.4 8 32 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.423 37.9 170.9 -74.1 149.3 17.8 22.0 7.4 9 33 A Y E -C 17 0B 1 8,-1.8 8,-2.2 -2,-0.1 2,-0.3 -0.971 23.4-135.1-148.8 148.8 16.5 19.6 10.0 10 34 A S E -CD 16 45B 22 35,-2.2 35,-2.0 -2,-0.3 2,-0.5 -0.766 10.2-139.5-101.6 158.4 12.9 19.4 11.4 11 35 A I E >> S-CD 15 44B 8 4,-2.1 3,-2.2 -2,-0.3 4,-0.8 -0.970 80.3 -19.4-117.3 118.8 11.9 19.0 15.1 12 36 A N T 34 S- 0 0 84 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.859 117.4 -67.3 50.9 40.5 9.0 16.6 15.9 13 38 A N T 34 S+ 0 0 120 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.705 129.9 71.1 53.2 25.0 7.7 16.9 12.3 14 39 A A T <4 S+ 0 0 77 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.529 80.6 45.5-128.4 -80.8 6.9 20.6 12.9 15 40 A S E < -C 11 0B 73 -4,-0.8 -4,-2.1 22,-0.1 2,-0.4 -0.258 63.2-143.5 -72.9 160.6 9.5 23.3 13.2 16 41 A L E +C 10 0B 66 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.941 24.7 162.9-119.9 139.9 12.6 23.7 11.0 17 42 A a E -C 9 0B 5 -8,-2.2 -8,-1.8 -2,-0.4 2,-0.3 -0.864 33.9-108.4-139.1-176.8 16.1 24.9 12.2 18 43 A S E -C 8 0B 0 125,-3.2 16,-0.3 -2,-0.3 2,-0.2 -0.879 30.2-110.2-117.5 150.7 19.6 24.7 10.7 19 44 A V - 0 0 0 -12,-2.2 -13,-3.4 -2,-0.3 127,-0.8 -0.580 27.0-167.5 -73.7 138.1 22.5 22.5 11.9 20 44AA G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.904 56.1 -20.7 -92.9 -71.7 25.3 24.5 13.5 21 45 A F E -E 32 0B 3 11,-1.1 11,-2.1 -16,-0.1 2,-0.3 -0.997 55.1-114.4-147.6 144.9 28.4 22.2 13.9 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.622 46.2 167.3 -74.2 130.8 29.3 18.5 14.0 23 47 A V E -EF 30 195B 0 7,-2.3 7,-2.1 -2,-0.3 2,-0.3 -0.930 24.7-141.8-140.0 161.1 30.7 17.6 17.4 24 48 A T E -EF 29 194B 49 170,-2.5 170,-2.9 -2,-0.3 2,-0.3 -0.915 5.6-163.3-125.0 156.1 31.5 14.4 19.4 25 48AA R E > S-E 28 0B 117 3,-2.4 3,-2.0 1,-0.3 168,-0.1 -0.856 72.5 -59.4-133.1 89.4 31.0 13.5 23.0 26 48BA G T 3 S- 0 0 69 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.421 122.3 -15.3 63.5-137.7 33.3 10.5 23.5 27 48CA A T 3 S+ 0 0 109 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.464 119.1 103.5 -69.6 -3.0 32.0 7.8 21.1 28 49 A T E < -E 25 0B 51 -3,-2.0 -3,-2.4 40,-0.0 2,-0.3 -0.741 61.8-145.2 -91.5 133.6 28.7 9.8 20.6 29 50 A K E +EG 24 69B 59 40,-0.5 40,-2.9 -2,-0.4 2,-0.3 -0.650 32.9 143.7 -90.9 146.3 28.0 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.3 -0.949 36.8-133.3-160.3 178.8 26.0 15.1 17.7 31 52 A F E -EG 22 67B 0 36,-1.3 36,-2.3 -2,-0.3 2,-0.3 -0.979 22.5-127.4-140.4 146.3 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.1 -12,-1.8 -2,-0.3 -11,-1.1 -0.659 39.5 153.0 -88.6 151.6 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.3 32,-1.7 -2,-0.3 2,-0.2 -0.849 48.4 -53.7-156.4-168.7 22.2 24.0 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.5 -2,-0.2 4,-0.3 -0.595 37.6-135.7 -85.6 144.9 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 0.875 102.3 60.9 -67.0 -38.8 18.1 25.7 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.582 88.4 76.5 -66.0 -11.9 14.8 27.3 21.3 37 58 A a G < S- 0 0 9 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.794 109.7 -10.7 -71.2 -25.8 14.7 24.8 18.3 38 59 A G < - 0 0 7 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 -0.985 61.5-116.7-162.1 164.2 13.6 21.8 20.5 39 59AA T > - 0 0 75 -2,-0.3 3,-2.6 1,-0.2 15,-0.3 -0.731 59.5 -67.1-100.3 164.1 13.1 20.4 24.0 40 59BA V T 3 S+ 0 0 69 1,-0.3 15,-0.2 -2,-0.3 -1,-0.2 -0.161 122.7 15.5 -55.1 135.6 15.0 17.5 25.4 41 60 A N T 3 S+ 0 0 118 13,-3.1 -1,-0.3 1,-0.3 14,-0.1 0.341 86.4 144.2 71.2 4.3 14.1 14.3 23.6 42 61 A A < - 0 0 4 -3,-2.6 12,-2.2 1,-0.1 2,-0.4 -0.392 54.7-110.6 -62.4 147.4 12.4 15.9 20.6 43 62 A T E - H 0 53B 36 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.704 25.2-154.2 -86.3 128.5 13.1 14.0 17.4 44 64 A A E -DH 11 52B 0 8,-2.4 7,-2.4 -2,-0.4 8,-1.1 -0.820 12.6-171.5-102.1 136.2 15.4 15.6 14.7 45 65 A R E -DH 10 50B 51 -35,-2.0 -35,-2.2 -2,-0.4 2,-0.5 -0.983 11.3-165.8-128.4 141.4 14.8 14.5 11.1 46 66 A I E > S- H 0 49B 25 3,-2.5 3,-1.2 -2,-0.4 -37,-0.1 -0.993 82.9 -8.9-128.5 118.3 17.0 15.3 8.0 47 67 A G T 3 S- 0 0 86 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.846 130.7 -55.9 67.9 36.9 15.3 14.5 4.7 48 81 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.566 116.0 113.1 73.3 6.6 12.4 12.8 6.3 49 82 A A E < S-H 46 0B 54 -3,-1.2 -3,-2.5 0, 0.0 -1,-0.2 -0.942 72.6-116.6-112.9 132.1 14.7 10.4 8.2 50 83 A V E +H 45 0B 75 -2,-0.4 -5,-0.2 -5,-0.3 3,-0.1 -0.420 36.2 170.8 -57.6 127.3 15.2 10.3 12.0 51 84 A V E - 0 0 1 -7,-2.4 19,-2.4 1,-0.4 2,-0.3 0.621 55.5 -52.8-117.4 -21.0 18.8 11.2 12.8 52 85 A G E -HI 44 69B 5 -8,-1.1 -8,-2.4 17,-0.3 -1,-0.4 -0.986 52.9 -95.3 170.8-166.0 18.8 11.7 16.6 53 87 A T E -HI 43 68B 50 15,-2.0 15,-2.5 -2,-0.3 2,-0.4 -0.946 42.5 -87.2-139.1 158.0 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.2 -13,-3.1 -15,-0.3 13,-0.3 -0.549 38.7-176.4 -66.4 125.1 17.7 16.6 21.5 55 88AA A E - 0 0 35 11,-2.4 2,-0.3 -2,-0.4 12,-0.2 0.758 63.1 -10.8 -93.4 -32.2 20.0 15.6 24.4 56 89 A A E + I 0 66B 21 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.976 61.5 172.7-164.1 152.8 20.2 18.9 26.3 57 90 A R E - I 0 65B 72 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.973 18.7-156.1-160.4 156.6 19.2 22.5 25.9 58 91 A V E + I 0 64B 42 6,-2.1 6,-1.9 -2,-0.3 -23,-0.3 -0.966 26.8 176.1-135.0 117.4 19.1 25.8 27.8 59 94 A F + 0 0 24 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.782 54.6 25.1-164.0 133.7 16.6 28.4 26.5 60 95 A P S S+ 0 0 48 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.554 121.1 40.1 -80.6-152.4 15.7 31.2 27.5 61 100 A G B S+j 128 0C 37 66,-2.6 68,-2.2 -2,-0.2 2,-0.2 -0.540 137.0 9.2 84.5 -66.9 18.6 32.6 29.6 62 101 A N S S- 0 0 50 -2,-1.6 2,-0.1 66,-0.2 68,-0.1 -0.635 77.5-134.6-123.5-174.7 21.0 31.2 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.560 53.1 119.6-146.4 81.6 20.1 29.6 23.6 64 103 A R E + I 0 58B 19 -6,-1.9 -6,-2.1 -30,-0.3 2,-0.3 -0.979 23.0 160.6-147.2 151.3 22.1 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.3 -2,-0.3 2,-0.3 -0.969 20.8-148.5-162.6 158.9 21.4 22.7 22.5 66 105 A W E -GI 32 56B 7 -10,-1.7 -11,-2.4 -2,-0.3 -10,-1.3 -0.987 11.4-147.8-136.0 148.2 23.1 19.6 21.1 67 106 A V E -GI 31 54B 0 -36,-2.3 -36,-1.3 -2,-0.3 2,-0.5 -0.956 13.9-138.1-112.4 125.8 21.3 16.7 19.4 68 107 A S E -GI 30 53B 30 -15,-2.5 -15,-2.0 -2,-0.5 -38,-0.3 -0.792 24.2-150.8 -92.2 135.6 22.8 13.2 19.8 69 108 A L E -GI 29 52B 14 -40,-2.9 -40,-0.5 -2,-0.5 -17,-0.3 -0.619 16.9-105.7-102.9 154.6 22.8 11.3 16.6 70 109 A T > - 0 0 65 -19,-2.4 3,-1.7 -2,-0.2 -1,-0.1 -0.359 40.2-109.0 -70.5 162.8 22.6 7.6 15.8 71 110 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.0 0.575 111.2 75.6 -77.6 -5.7 25.9 6.1 14.7 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.653 76.9 97.4 -78.2 -10.7 24.7 5.8 11.1 73 112 A Q S < S- 0 0 12 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.427 71.3-135.5 -77.8 150.1 25.2 9.6 10.7 74 113 A T E -a 2 0A 63 -73,-2.0 -71,-3.1 -2,-0.1 2,-0.3 -0.946 15.0-150.9-110.2 113.1 28.4 10.9 9.1 75 114 A L E -a 3 0A 28 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.642 16.3-171.0 -80.8 137.7 29.9 13.9 10.8 76 119 A L E - 0 0 35 -73,-1.2 2,-1.3 -2,-0.3 -54,-0.5 -0.989 31.8-130.0-131.1 143.9 31.8 16.3 8.7 77 120 A P E S+ 0 0 15 0, 0.0 11,-3.0 0, 0.0 2,-0.3 -0.147 75.4 104.1 -75.4 43.3 34.0 19.3 9.5 78 120AA R E - B 0 87A 89 -2,-1.3 -73,-3.0 -75,-0.4 2,-0.4 -0.902 54.5-154.5-134.9 157.3 32.1 21.5 6.9 79 120BA V E -aB 5 86A 0 7,-1.6 7,-1.9 -2,-0.3 -73,-0.2 -0.993 35.9-111.0-126.4 131.5 29.6 24.3 6.7 80 120CA A E + B 0 85A 20 -75,-2.9 5,-0.2 -2,-0.4 2,-0.2 -0.384 32.9 175.6 -67.9 135.6 27.5 24.7 3.5 81 120DA N E > - 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