==== 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 05-AUG-91 8LPR . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR A.FUJISHIGE,R.BONE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7918.0 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 . 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 . 10 5.0 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 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,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 156.7 22.6 11.7 6.4 2 15BA N E -a 74 0A 100 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.858 360.0-137.9 -98.5 127.8 25.8 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.4 73,-1.8 -2,-0.5 2,-0.3 -0.898 35.1 161.1 -94.6 111.2 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 -0.944 45.3-100.3-125.3 142.8 27.2 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.2 75,-3.3 -2,-0.3 15,-0.2 -0.317 104.2 29.5 -61.2 147.7 26.7 23.1 9.1 6 19 A G T 3 S+ 0 0 4 13,-3.1 -1,-0.2 1,-0.3 102,-0.2 0.163 85.5 125.7 92.2 -16.5 23.8 25.1 7.7 7 29 A I < - 0 0 45 -3,-1.5 12,-2.3 97,-0.1 -1,-0.3 -0.342 62.0-103.0 -81.3 159.9 21.5 22.3 6.5 8 30 A E E +C 18 0B 78 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.451 37.0 172.5 -78.7 147.2 17.8 22.0 7.5 9 31 A Y E -C 17 0B 1 8,-1.9 8,-2.4 -2,-0.1 2,-0.3 -0.926 21.8-138.2-143.1 154.1 16.5 19.6 10.1 10 32 A S E -CD 16 45B 19 35,-2.1 35,-2.0 -2,-0.3 2,-0.5 -0.772 10.1-137.5-113.6 161.5 12.9 19.4 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.1 3,-2.2 -2,-0.3 4,-1.0 -0.986 79.8 -17.1-123.0 125.5 11.9 18.9 15.1 12 34 A N T 34 S- 0 0 86 31,-2.5 -1,-0.2 -2,-0.5 32,-0.1 0.813 118.8 -67.2 47.3 42.7 8.9 16.6 15.9 13 35 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.659 129.5 73.6 54.9 22.4 7.8 16.8 12.3 14 39 A A T <4 S+ 0 0 78 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.621 78.4 43.5-122.5 -86.9 6.9 20.5 12.9 15 40 A S E < -C 11 0B 72 -4,-1.0 -4,-2.1 22,-0.1 2,-0.4 -0.331 63.6-140.2 -70.5 154.3 9.5 23.3 13.2 16 41 A L E +C 10 0B 67 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.923 26.9 162.3-114.0 147.5 12.5 23.7 10.9 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-1.9 -2,-0.4 2,-0.3 -0.828 32.8-110.0-145.2-177.9 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.3 16,-0.3 -2,-0.3 -10,-0.2 -0.933 30.1-106.2-121.8 151.1 19.6 24.6 10.8 19 44 A V - 0 0 0 -12,-2.3 -13,-3.1 -2,-0.3 127,-1.0 -0.429 26.8-167.3 -74.7 140.0 22.5 22.5 11.9 20 45 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.886 58.2 -26.7 -86.7 -82.8 25.3 24.5 13.7 21 46 A F E -E 32 0B 2 11,-0.9 11,-2.0 -16,-0.1 -1,-0.3 -0.993 55.0-112.5-143.7 147.5 28.3 22.2 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.563 47.8 161.3 -72.7 133.6 29.3 18.5 13.9 23 48 A V E -EF 30 195B 0 7,-2.7 7,-1.8 -2,-0.3 2,-0.3 -0.897 27.1-139.4-149.5 172.7 30.7 17.4 17.3 24 48AA T E -EF 29 194B 47 170,-2.0 170,-2.2 -2,-0.3 2,-0.3 -0.923 5.3-159.8-134.7 163.6 31.4 14.3 19.4 25 48BA R E > S-E 28 0B 120 3,-2.7 3,-1.8 -2,-0.3 2,-0.2 -0.843 75.1 -55.6-141.7 88.5 31.0 13.4 23.1 26 48CA G T 3 S- 0 0 69 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.515 123.7 -18.4 71.7-140.0 33.3 10.4 23.6 27 48DA A T 3 S+ 0 0 104 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.504 118.4 104.1 -70.3 -8.9 32.0 7.8 21.0 28 49 A T E < -E 25 0B 58 -3,-1.8 -3,-2.7 40,-0.0 2,-0.2 -0.694 61.3-147.4 -86.3 136.1 28.6 9.7 20.6 29 50 A K E +E 24 0B 63 40,-0.5 40,-2.3 -2,-0.4 2,-0.3 -0.598 31.6 140.6 -94.4 155.3 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-1.8 -7,-2.7 38,-0.3 2,-0.3 -0.963 38.7-126.5-173.8 179.6 26.0 15.0 17.5 31 52 A F E -EG 22 67B 0 36,-1.3 36,-2.5 -2,-0.3 2,-0.3 -0.952 23.5-127.1-143.4 151.2 25.6 18.6 16.3 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-1.8 -2,-0.3 -11,-0.9 -0.686 39.6 151.6 -98.6 152.2 25.1 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.8 -2,-0.3 2,-0.3 -0.820 47.2 -48.2-155.8-165.6 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.8 -2,-0.3 4,-0.3 -0.618 36.3-138.2 -86.9 134.4 19.8 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.4 3,-1.2 -2,-0.3 24,-0.2 0.826 102.8 59.4 -59.7 -39.0 18.1 25.8 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.514 89.2 77.1 -72.2 -8.7 14.8 27.3 21.2 37 58 A a G < S- 0 0 9 -3,-1.8 2,-0.3 1,-0.1 -1,-0.3 0.720 108.8 -12.3 -71.5 -30.6 14.7 24.8 18.4 38 59 A G < - 0 0 8 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 -0.965 60.1-114.9-157.0 172.1 13.6 21.8 20.5 39 62 A T > - 0 0 74 -2,-0.3 3,-2.6 1,-0.2 15,-0.3 -0.750 60.3 -69.9-108.1 163.2 13.0 20.4 24.0 40 63 A V T 3 S+ 0 0 70 -2,-0.3 15,-0.2 1,-0.3 -1,-0.2 -0.173 123.6 18.0 -49.4 143.0 15.0 17.4 25.4 41 64 A N T 3 S+ 0 0 119 13,-3.4 -1,-0.3 1,-0.3 14,-0.1 0.289 85.5 143.6 68.8 0.3 14.0 14.2 23.6 42 65 A A < - 0 0 3 -3,-2.6 12,-2.7 1,-0.1 2,-0.5 -0.365 55.2-112.5 -65.0 149.1 12.4 16.0 20.6 43 65AA T E - H 0 53B 37 10,-0.2 -31,-2.5 -3,-0.1 -30,-0.4 -0.766 24.5-151.2 -90.1 126.9 13.1 14.0 17.4 44 66 A A E -DH 11 52B 0 8,-2.9 7,-2.3 -2,-0.5 8,-1.3 -0.816 13.7-171.1-100.1 140.3 15.4 15.5 14.7 45 67 A R E -DH 10 50B 49 -35,-2.0 -35,-2.1 -2,-0.4 2,-0.4 -0.960 12.4-164.7-134.3 144.2 14.9 14.6 11.1 46 80 A I E > S- H 0 49B 24 3,-2.4 3,-1.6 -2,-0.4 -37,-0.1 -0.995 82.5 -13.2-132.7 115.8 17.0 15.3 8.0 47 81 A G T 3 S- 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.882 130.0 -53.4 60.9 47.4 15.2 14.8 4.7 48 82 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.250 116.2 110.8 72.5 -7.0 12.4 12.9 6.3 49 83 A A E < S-H 46 0B 55 -3,-1.6 -3,-2.4 1,-0.0 2,-0.2 -0.847 73.4-114.9-104.5 139.4 14.7 10.4 8.1 50 84 A V E +H 45 0B 75 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.477 37.3 168.5 -67.5 129.5 15.2 10.3 11.9 51 85 A V E - 0 0 1 -7,-2.3 19,-2.4 1,-0.3 2,-0.3 0.669 56.1 -53.7-116.7 -24.6 18.8 11.2 12.7 52 86 A G E -HI 44 69B 4 -8,-1.3 -8,-2.9 17,-0.3 -1,-0.3 -0.968 50.8 -94.7 174.4-165.4 18.7 11.7 16.6 53 87 A T E -HI 43 68B 49 15,-2.0 15,-2.4 -2,-0.3 2,-0.5 -0.952 43.6 -86.8-141.3 159.3 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.7 -13,-3.4 -15,-0.3 13,-0.3 -0.601 37.8-175.1 -65.1 122.6 17.7 16.6 21.6 55 89 A A E - 0 0 35 11,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.783 64.6 -15.3 -91.5 -33.5 20.1 15.5 24.4 56 90 A A E + I 0 66B 21 10,-1.3 10,-1.6 -17,-0.1 -1,-0.4 -0.968 61.5 179.1-162.1 159.0 20.1 18.8 26.2 57 91 A R E - I 0 65B 75 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.980 17.5-153.0-162.3 160.4 19.2 22.4 25.9 58 93 A V E + I 0 64B 38 6,-2.7 6,-2.7 -2,-0.3 -23,-0.4 -0.939 26.7 177.5-139.5 119.7 19.1 25.8 27.6 59 94 A F + 0 0 24 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.804 53.5 18.3-170.3 132.2 16.5 28.3 26.6 60 99AA P S S+ 0 0 48 0, 0.0 2,-1.3 0, 0.0 68,-0.2 0.662 122.0 41.5 -81.9-157.7 15.7 31.1 27.5 61 100 A G B S+j 128 0C 32 66,-2.6 68,-2.5 -2,-0.2 2,-0.2 -0.592 136.7 11.0 94.1 -67.3 18.6 32.6 29.6 62 101 A N S S- 0 0 53 -2,-1.3 2,-0.2 66,-0.2 68,-0.1 -0.673 78.9-134.0-121.6-178.9 21.0 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.630 53.5 123.7-144.3 82.3 20.0 29.6 23.6 64 103 A R E + I 0 58B 20 -6,-2.7 -6,-2.7 -30,-0.3 2,-0.3 -0.983 22.4 156.7-147.1 154.0 21.8 26.3 23.2 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.2 -2,-0.3 2,-0.3 -0.980 21.1-150.1-162.0 164.6 21.4 22.6 22.5 66 105 A W E -GI 32 56B 10 -10,-1.6 -11,-2.5 -2,-0.3 -10,-1.3 -0.987 13.2-149.5-139.5 141.8 23.1 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.5 -36,-1.3 -2,-0.3 2,-0.4 -0.967 13.9-138.8-110.0 129.3 21.3 16.6 19.4 68 107 A S E -GI 30 53B 32 -15,-2.4 -15,-2.0 -2,-0.4 -38,-0.3 -0.810 25.3-150.1 -91.2 139.5 22.9 13.1 19.8 69 108 A L E - I 0 52B 15 -40,-2.3 -40,-0.5 -2,-0.4 -17,-0.3 -0.643 16.0-100.9-104.6 162.0 22.7 11.2 16.6 70 109 A T > - 0 0 67 -19,-2.4 3,-1.5 -2,-0.2 -1,-0.1 -0.229 42.4-103.5 -72.1 165.4 22.5 7.5 15.7 71 110 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.759 113.8 70.0 -61.1 -30.5 25.7 5.8 14.6 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.513 76.3 99.6 -72.5 -10.3 24.7 5.8 11.0 73 112 A Q < - 0 0 13 -3,-1.5 2,-0.6 -22,-0.2 -71,-0.2 -0.504 68.6-135.7 -79.1 151.6 25.1 9.6 10.6 74 113 A T E -a 2 0A 67 -73,-2.0 -71,-3.4 -2,-0.2 2,-0.4 -0.981 13.7-147.3-110.9 110.9 28.4 10.9 9.1 75 114 A L E -a 3 0A 30 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.702 17.0-169.1 -80.7 134.6 29.9 13.9 10.8 76 115 A L E - 0 0 34 -73,-1.8 2,-1.1 -2,-0.4 -54,-0.5 -0.942 29.4-134.7-126.5 142.4 31.7 16.4 8.6 77 116 A P E S+ 0 0 16 0, 0.0 11,-2.8 0, 0.0 2,-0.3 -0.341 74.2 105.2 -82.7 48.3 34.0 19.3 9.5 78 117 A R E - B 0 87A 94 -2,-1.1 -73,-3.2 -75,-0.3 2,-0.4 -0.950 56.2-151.7-136.6 157.8 32.1 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-2.0 7,-2.1 -2,-0.3 -73,-0.2 -0.986 34.9-112.2-123.8 134.5 29.6 24.4 6.7 80 119 A A E + B 0 85A 19 -75,-3.3 2,-0.3 -2,-0.4 5,-0.2 -0.403 32.3 176.3 -71.2 138.6 27.5 24.7 3.5 81 120 A N E > - 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