==== 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 1GBL . 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) . 7901.0 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,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 153.0 22.7 11.7 6.4 2 15BA N E -a 74 0A 93 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.815 360.0-137.2 -88.3 130.4 25.9 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.7 73,-1.4 -2,-0.5 2,-0.3 -0.851 34.1 164.5-101.5 112.5 25.9 16.3 8.9 4 17 A V E > - 0 0 14 -2,-0.8 3,-1.4 71,-0.1 15,-0.3 -0.972 43.1-101.5-125.1 140.8 27.1 19.6 7.5 5 18 A G E 3 S+a 79 0A 1 73,-3.0 75,-3.0 -2,-0.3 15,-0.2 -0.295 104.1 28.5 -60.5 135.6 26.7 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 0.196 87.3 126.4 104.6 -17.4 23.9 25.1 7.7 7 31 A I < - 0 0 44 -3,-1.4 12,-2.5 97,-0.1 -1,-0.3 -0.324 61.6-100.9 -81.1 159.1 21.6 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 -0.442 38.8 170.3 -74.6 141.9 17.9 22.0 7.3 9 33 A Y E -C 17 0B 1 8,-2.1 8,-2.5 -2,-0.2 2,-0.3 -0.972 23.5-132.8-142.4 156.5 16.5 19.5 9.9 10 34 A S E -CD 16 45B 22 35,-2.2 35,-2.0 -2,-0.3 2,-0.5 -0.766 8.2-141.1-106.9 157.4 13.0 19.2 11.3 11 35 A I E >> S-CD 15 44B 8 4,-2.2 3,-2.0 -2,-0.3 4,-0.9 -0.970 80.2 -23.0-121.7 115.2 11.9 18.9 15.0 12 36 A N T 34 S- 0 0 81 31,-2.9 -1,-0.1 -2,-0.5 32,-0.1 0.856 115.6 -67.7 49.7 43.0 9.0 16.5 15.7 13 38 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.676 129.9 69.2 54.6 26.1 7.8 16.8 12.2 14 39 A A T <4 S+ 0 0 80 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.519 82.1 49.5-132.1 -77.1 6.8 20.5 12.7 15 40 A S E < -C 11 0B 69 -4,-0.9 -4,-2.2 22,-0.1 2,-0.4 -0.230 63.1-145.6 -72.0 162.3 9.5 23.2 13.2 16 41 A L E +C 10 0B 68 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.950 24.1 160.8-124.2 139.6 12.6 23.6 11.0 17 42 A a E -C 9 0B 6 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.4 -0.879 34.3-106.9-142.5-176.8 16.0 24.7 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 31.7-108.4-117.3 145.0 19.6 24.6 10.7 19 44 A V - 0 0 0 -12,-2.5 -13,-3.2 -2,-0.4 127,-0.8 -0.529 27.1-165.2 -64.3 134.2 22.5 22.4 11.9 20 44AA G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.929 55.9 -27.0 -86.4 -77.1 25.2 24.3 13.7 21 45 A F E -E 32 0B 3 11,-1.0 11,-2.3 -16,-0.1 2,-0.3 -0.998 55.9-110.3-147.5 141.6 28.3 22.1 13.9 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.1 -2,-0.3 2,-0.3 -0.557 47.4 169.0 -64.0 130.4 29.3 18.5 14.0 23 47 A V E -EF 30 195B 0 7,-2.6 7,-2.0 -2,-0.3 2,-0.3 -0.937 24.6-142.5-140.7 160.1 30.6 17.5 17.5 24 48 A T E -EF 29 194B 50 170,-2.5 170,-2.9 -2,-0.3 2,-0.3 -0.932 6.0-165.3-123.9 154.5 31.5 14.4 19.4 25 48AA R E > S-E 28 0B 119 3,-2.3 3,-2.1 1,-0.4 168,-0.1 -0.826 73.2 -60.7-135.2 88.6 31.0 13.5 23.1 26 48BA G T 3 S- 0 0 68 -2,-0.3 -1,-0.4 1,-0.3 168,-0.1 -0.434 121.2 -15.3 62.6-133.1 33.3 10.5 23.5 27 48CA A T 3 S+ 0 0 110 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.497 117.6 103.1 -75.6 -3.1 31.9 7.9 21.1 28 49 A T E < -E 25 0B 53 -3,-2.1 -3,-2.3 40,-0.0 2,-0.3 -0.724 62.0-146.6 -90.2 135.2 28.6 9.7 20.6 29 50 A K E +EG 24 69B 62 40,-0.5 40,-2.7 -2,-0.4 2,-0.3 -0.664 33.9 141.4 -89.9 145.7 28.0 11.7 17.5 30 51 A G E -EG 23 68B 0 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.3 -0.963 37.9-128.1-164.0 179.4 26.0 14.9 17.6 31 52 A F E -EG 22 67B 0 36,-1.4 36,-2.6 -2,-0.3 2,-0.3 -0.988 21.1-125.6-139.1 148.5 25.6 18.4 16.4 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-1.8 -2,-0.3 -11,-1.0 -0.696 40.3 152.0 -90.1 144.8 25.1 21.7 18.3 33 54 A T E - G 0 65B 0 32,-2.0 32,-1.7 -2,-0.3 2,-0.2 -0.818 48.8 -55.5-152.1-170.7 22.1 23.9 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.5 30,-0.2 4,-0.4 -0.578 37.9-134.8 -82.3 144.7 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 1,-0.3 24,-0.2 0.889 103.1 61.0 -66.4 -36.3 18.0 25.7 22.4 36 57 A H G 3 S+ 0 0 41 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.475 87.5 77.7 -70.7 -5.1 14.8 27.2 21.2 37 58 A a G < S- 0 0 9 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.810 108.3 -13.1 -76.2 -28.9 14.6 24.7 18.3 38 59 A G < - 0 0 8 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 -0.979 62.5-113.2-158.1 171.3 13.5 21.7 20.3 39 59AA T > - 0 0 73 -2,-0.3 3,-2.3 1,-0.1 15,-0.4 -0.718 57.8 -68.4-104.8 168.4 13.0 20.3 23.8 40 59BA V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.253 122.8 15.9 -60.2 135.3 14.9 17.4 25.3 41 60 A N T 3 S+ 0 0 117 13,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.354 86.4 145.4 74.6 4.0 14.0 14.1 23.5 42 61 A A < - 0 0 3 -3,-2.3 12,-2.2 12,-0.1 2,-0.4 -0.436 53.6-114.6 -60.3 142.1 12.4 15.8 20.5 43 62 A T E - H 0 53B 38 10,-0.2 -31,-2.9 -2,-0.1 2,-0.4 -0.726 24.9-154.8 -86.9 127.8 13.1 13.9 17.3 44 64 A A E -DH 11 52B 0 8,-2.7 7,-2.6 -2,-0.4 8,-1.2 -0.853 11.0-170.2-105.8 133.9 15.3 15.5 14.6 45 65 A R E -DH 10 50B 50 -35,-2.0 -35,-2.2 -2,-0.4 2,-0.5 -0.951 11.0-160.4-123.4 142.7 14.8 14.4 11.0 46 66 A I E > S- H 0 49B 25 3,-2.8 3,-1.6 -2,-0.4 -37,-0.1 -0.989 82.9 -13.3-126.4 119.9 17.0 15.2 8.0 47 67 A G T 3 S- 0 0 81 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.854 131.3 -51.7 62.5 40.7 15.3 14.8 4.7 48 81 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.341 116.5 109.6 81.8 -7.7 12.5 12.8 6.3 49 82 A A E < S-H 46 0B 55 -3,-1.6 -3,-2.8 1,-0.0 2,-0.3 -0.832 74.0-113.7-107.2 143.6 14.8 10.3 8.1 50 83 A V E +H 45 0B 78 -2,-0.4 -5,-0.2 -5,-0.3 3,-0.1 -0.546 37.3 169.6 -69.9 126.4 15.3 10.2 11.9 51 84 A V E - 0 0 1 -7,-2.6 19,-2.5 1,-0.4 2,-0.3 0.595 56.0 -57.5-116.7 -21.8 18.8 11.2 12.7 52 85 A G E -HI 44 69B 5 -8,-1.2 -8,-2.7 17,-0.3 -1,-0.4 -0.983 51.6 -93.1 168.2-167.8 18.7 11.6 16.5 53 87 A T E -HI 43 68B 47 15,-1.9 15,-2.4 -2,-0.3 2,-0.3 -0.924 42.5 -87.8-136.4 159.8 17.1 13.4 19.4 54 88 A F E - I 0 67B 0 -12,-2.2 -13,-3.0 -15,-0.4 13,-0.3 -0.532 37.7-175.3 -67.5 125.4 17.7 16.6 21.5 55 88AA A E - 0 0 36 11,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.739 64.0 -12.9 -94.5 -28.2 20.0 15.5 24.4 56 89 A A E + I 0 66B 21 10,-1.2 10,-1.7 -17,-0.1 -1,-0.4 -0.968 61.1 174.4-167.2 153.3 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 -0.977 18.5-152.9-158.5 159.3 19.2 22.4 25.8 58 91 A V E + I 0 64B 39 6,-2.4 6,-2.3 -2,-0.3 -23,-0.3 -0.963 27.0 179.0-136.2 122.3 19.0 25.7 27.7 59 94 A F + 0 0 23 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.787 54.4 21.2-167.5 131.3 16.5 28.3 26.5 60 95 A P S S+ 0 0 48 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.522 121.0 41.2 -79.4-152.9 15.7 31.1 27.5 61 100 A G B S+j 128 0C 36 66,-2.7 68,-3.0 -2,-0.2 2,-0.2 -0.576 136.8 10.6 90.0 -67.0 18.6 32.5 29.6 62 101 A N S S- 0 0 49 -2,-1.6 2,-0.2 66,-0.2 68,-0.1 -0.631 78.2-136.0-121.8 178.9 20.9 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.625 52.8 119.5-141.1 84.4 20.0 29.6 23.7 64 103 A R E + I 0 58B 19 -6,-2.3 -6,-2.4 -30,-0.3 2,-0.3 -0.985 23.4 160.6-148.1 153.4 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.0 -2,-0.3 2,-0.3 -0.977 20.7-146.8-161.1 163.2 21.3 22.6 22.5 66 105 A W E -GI 32 56B 8 -10,-1.7 -11,-2.7 -2,-0.3 -10,-1.2 -0.994 12.6-144.5-140.6 144.4 23.0 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.6 -36,-1.4 -2,-0.3 2,-0.6 -0.943 13.3-137.8-106.5 123.1 21.3 16.6 19.3 68 107 A S E -GI 30 53B 30 -15,-2.4 -15,-1.9 -2,-0.5 -38,-0.3 -0.729 26.6-154.1 -88.8 125.1 22.7 13.1 19.9 69 108 A L E -GI 29 52B 13 -40,-2.7 -40,-0.5 -2,-0.6 -17,-0.3 -0.587 16.4-104.3 -93.4 157.0 22.8 11.3 16.6 70 109 A T > - 0 0 66 -19,-2.5 3,-1.9 -2,-0.2 -1,-0.1 -0.383 37.2-109.0 -73.0 162.2 22.7 7.7 15.7 71 110 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.624 112.7 72.0 -71.2 -14.6 25.9 6.0 14.7 72 111 A A T 3 S+ 0 0 73 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.594 77.7 97.6 -74.6 -13.9 24.7 5.8 11.1 73 112 A Q S < S- 0 0 12 -3,-1.9 2,-0.6 -22,-0.2 -71,-0.2 -0.437 70.3-135.8 -78.3 152.1 25.2 9.6 10.6 74 113 A T E -a 2 0A 64 -73,-2.4 -71,-3.7 -2,-0.1 2,-0.3 -0.955 15.8-154.1-113.9 110.0 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,-0.1 -0.626 14.5-170.4 -81.7 138.8 29.8 13.9 10.8 76 119 A L E - 0 0 38 -73,-1.4 2,-1.7 -2,-0.3 -54,-0.5 -0.989 32.4-126.8-136.3 143.6 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 -0.268 76.5 105.9 -74.3 48.9 34.0 19.2 9.5 78 120AA R E - B 0 87A 91 -2,-1.7 -73,-3.0 -75,-0.3 2,-0.4 -0.948 54.3-155.4-141.3 153.3 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.8 7,-2.1 -2,-0.3 -73,-0.2 -0.980 36.5-112.1-125.1 133.4 29.6 24.4 6.8 80 120CA A E + B 0 85A 20 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.404 33.1 175.2 -69.9 137.6 27.5 24.7 3.6 81 120DA N E > - 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