==== 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 2LPR . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 65.7 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 . 9 4.5 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 . 7 3.5 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 1 0 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 51 0, 0.0 73,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.7 22.7 11.6 6.5 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.824 360.0-139.0 -91.2 124.3 25.9 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.6 73,-1.8 -2,-0.5 2,-0.4 -0.834 34.2 162.0 -94.1 110.2 26.0 16.2 8.8 4 17 A V E > - 0 0 12 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.961 44.9 -99.3-127.6 142.8 27.1 19.6 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.3 75,-3.0 -2,-0.4 15,-0.2 -0.306 104.6 26.6 -57.7 140.3 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,-0.2 0.147 85.8 125.7 95.8 -18.1 23.8 25.0 7.7 7 29 A I < - 0 0 44 -3,-1.5 12,-2.4 97,-0.1 -1,-0.3 -0.305 61.6-101.3 -80.4 160.3 21.5 22.3 6.5 8 30 A E E +C 18 0B 81 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.434 37.9 170.8 -78.1 149.5 17.9 21.9 7.4 9 31 A Y E -C 17 0B 2 8,-1.8 8,-2.3 37,-0.1 2,-0.3 -0.935 22.7-136.6-147.8 155.5 16.5 19.5 10.0 10 32 A S E -CD 16 45B 22 35,-1.9 35,-1.9 -2,-0.3 2,-0.5 -0.790 8.9-139.5-112.5 157.9 12.9 19.3 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.0 3,-2.4 -2,-0.3 4,-0.8 -0.980 80.4 -18.2-118.6 124.8 11.9 18.8 15.1 12 34 A N T 34 S- 0 0 85 31,-2.5 -1,-0.1 -2,-0.5 32,-0.1 0.812 117.7 -68.9 43.8 42.0 8.9 16.5 15.9 13 35 A N T 34 S+ 0 0 115 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.707 128.2 72.4 54.0 29.1 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 78 -3,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.503 80.2 45.4-132.0 -82.6 6.9 20.5 12.8 15 40 A S E < -C 11 0B 70 -4,-0.8 -4,-2.0 22,-0.1 2,-0.3 -0.226 63.7-142.9 -67.4 162.8 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 -0.939 24.4 163.9-121.5 147.7 12.6 23.6 11.0 17 42 A a E -C 9 0B 6 -8,-2.3 -8,-1.8 -2,-0.3 2,-0.4 -0.811 33.0-109.1-144.8-179.0 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.8 16,-0.4 -2,-0.3 -10,-0.2 -0.935 30.7-107.0-119.2 151.1 19.6 24.6 10.8 19 44 A V - 0 0 0 -12,-2.4 -13,-3.4 -2,-0.4 127,-0.9 -0.437 27.8-167.2 -72.1 136.9 22.5 22.4 11.9 20 45 A G - 0 0 0 12,-1.7 2,-0.3 125,-0.3 126,-0.3 0.928 57.2 -24.8 -88.1 -80.4 25.3 24.4 13.7 21 46 A F E -E 32 0B 2 11,-0.9 11,-2.2 -16,-0.1 2,-0.3 -0.990 55.8-115.4-143.8 139.5 28.4 22.1 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.607 47.1 165.7 -69.1 137.1 29.2 18.4 14.0 23 48 A V E -EF 30 195B 0 7,-2.8 7,-2.2 -2,-0.3 2,-0.3 -0.904 26.4-136.5-147.1 169.5 30.7 17.4 17.4 24 48AA T E -EF 29 194B 48 170,-2.2 170,-2.9 -2,-0.3 2,-0.3 -0.920 6.3-163.9-131.5 155.9 31.5 14.4 19.4 25 48BA R E > S-E 28 0B 113 3,-2.8 3,-2.1 -2,-0.3 168,-0.1 -0.802 73.0 -59.3-133.6 87.7 31.0 13.4 23.0 26 48CA G T 3 S- 0 0 72 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.473 122.4 -16.9 67.5-140.2 33.2 10.4 23.6 27 48DA A T 3 S+ 0 0 108 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.470 119.0 104.3 -74.7 -3.9 31.9 7.8 21.1 28 49 A T E < -E 25 0B 51 -3,-2.1 -3,-2.8 40,-0.0 2,-0.3 -0.682 60.9-148.8 -85.0 135.5 28.7 9.7 20.7 29 50 A K E +E 24 0B 63 40,-0.5 40,-3.1 -2,-0.4 2,-0.3 -0.701 32.1 142.2 -95.1 147.9 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.8 -2,-0.3 2,-0.3 -0.950 38.5-126.4-163.6-178.6 26.0 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.3 -2,-0.3 2,-0.3 -0.971 22.5-125.9-139.1 152.1 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-1.7 -2,-0.3 -11,-0.9 -0.684 41.5 153.0 -94.8 146.4 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.6 -2,-0.3 2,-0.2 -0.836 47.6 -52.3-151.3-170.9 22.1 23.9 17.5 34 55 A A > - 0 0 0 -16,-0.4 3,-1.4 -2,-0.2 4,-0.3 -0.559 36.0-141.3 -79.5 140.2 19.8 26.5 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 1,-0.3 24,-0.2 0.840 101.8 61.3 -68.6 -35.7 18.1 25.7 22.3 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 23,-0.1 0.553 89.2 74.8 -67.5 -10.0 14.9 27.3 21.2 37 58 A a G < S- 0 0 10 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.696 108.9 -8.2 -73.0 -26.1 14.6 24.8 18.3 38 59 A G < - 0 0 7 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.1 -0.978 60.7-115.3-157.2 170.7 13.6 21.8 20.5 39 62 A T > - 0 0 74 -2,-0.3 3,-2.9 1,-0.2 15,-0.4 -0.764 59.0 -72.6-107.6 160.9 13.0 20.3 24.0 40 63 A V T 3 S+ 0 0 65 1,-0.3 15,-0.2 -2,-0.3 -1,-0.2 -0.142 123.5 18.4 -50.7 145.5 15.0 17.4 25.4 41 64 A N T 3 S+ 0 0 122 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.265 87.2 142.5 67.0 -0.9 14.0 14.1 23.6 42 65 A A < - 0 0 3 -3,-2.9 12,-2.0 1,-0.1 2,-0.5 -0.335 55.2-114.8 -62.2 148.0 12.4 16.0 20.7 43 65AA T E - H 0 53B 35 10,-0.2 -31,-2.5 -3,-0.1 -30,-0.4 -0.776 24.2-153.5 -90.4 129.1 13.1 14.0 17.4 44 66 A A E -DH 11 52B 0 8,-2.2 7,-2.5 -2,-0.5 8,-1.2 -0.820 11.4-168.8-102.4 139.4 15.3 15.5 14.7 45 67 A R E -DH 10 50B 50 -35,-1.9 -35,-1.9 -2,-0.4 2,-0.5 -0.948 11.9-162.4-129.9 146.7 14.9 14.5 11.0 46 80 A I E > S- H 0 49B 25 3,-2.7 3,-1.7 -2,-0.4 -37,-0.1 -0.995 83.3 -12.7-131.8 116.7 17.0 15.1 8.0 47 81 A G T 3 S- 0 0 86 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.877 131.5 -52.6 56.4 47.6 15.4 14.6 4.6 48 82 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.359 116.0 112.1 72.0 1.4 12.5 12.8 6.3 49 83 A A E < S-H 46 0B 54 -3,-1.7 -3,-2.7 2,-0.0 2,-0.2 -0.887 73.0-113.7-109.0 138.2 14.7 10.3 8.2 50 84 A V E +H 45 0B 77 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.470 37.0 170.8 -64.1 128.1 15.2 10.3 12.0 51 85 A V E - 0 0 2 -7,-2.5 19,-2.2 1,-0.4 2,-0.3 0.643 55.9 -56.6-116.2 -20.3 18.8 11.2 12.8 52 86 A G E -HI 44 69B 5 -8,-1.2 -8,-2.2 17,-0.3 -1,-0.4 -0.942 52.0 -95.4 168.9-163.7 18.7 11.6 16.6 53 87 A T E -HI 43 68B 49 15,-1.8 15,-2.3 -2,-0.3 2,-0.3 -0.931 43.2 -85.2-144.3 163.5 17.0 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.0 -13,-3.0 -15,-0.4 13,-0.3 -0.635 37.8-174.9 -65.5 124.8 17.7 16.6 21.6 55 89 A A E - 0 0 36 11,-2.5 2,-0.3 1,-0.4 12,-0.2 0.712 65.2 -14.6 -94.4 -26.8 20.0 15.5 24.4 56 90 A A E + I 0 66B 19 10,-1.3 10,-1.5 -17,-0.1 -1,-0.4 -0.974 61.8 175.4-162.8 160.2 20.1 18.8 26.3 57 91 A R E - I 0 65B 77 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.969 18.5-151.5-164.8 159.5 19.2 22.5 25.9 58 93 A V E - I 0 64B 37 6,-2.6 6,-2.1 -2,-0.3 -23,-0.3 -0.954 26.2-179.3-133.0 120.0 19.0 25.8 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.775 54.5 17.7-170.0 131.8 16.5 28.4 26.5 60 99AA P S S+ 0 0 48 0, 0.0 2,-1.2 0, 0.0 68,-0.2 0.632 120.9 42.4 -81.5-158.9 15.8 31.1 27.4 61 100 A G B S+j 128 0C 33 66,-2.6 68,-3.0 -2,-0.2 2,-0.2 -0.610 136.5 10.7 97.8 -68.8 18.6 32.6 29.6 62 101 A N S S- 0 0 51 -2,-1.2 2,-0.2 66,-0.2 68,-0.1 -0.632 79.6-134.6-121.0-179.8 21.1 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.615 53.3 119.3-146.6 77.2 20.0 29.6 23.6 64 103 A R E + I 0 58B 19 -6,-2.1 -6,-2.6 -30,-0.3 2,-0.3 -0.965 23.3 158.9-144.3 159.2 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.2 -2,-0.3 2,-0.3 -0.969 21.6-146.9-167.5 165.1 21.3 22.6 22.5 66 105 A W E -GI 32 56B 7 -10,-1.5 -11,-2.5 -2,-0.3 -10,-1.3 -0.977 12.9-148.8-139.0 142.1 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.3 -36,-1.5 -2,-0.3 2,-0.5 -0.965 14.7-138.3-112.2 127.8 21.2 16.5 19.4 68 107 A S E -GI 30 53B 30 -15,-2.3 -15,-1.8 -2,-0.4 -38,-0.3 -0.804 25.3-151.1 -90.4 134.6 22.8 13.1 19.9 69 108 A L E - I 0 52B 16 -40,-3.1 -40,-0.5 -2,-0.5 -17,-0.3 -0.586 15.2 -99.9-101.4 168.1 22.7 11.2 16.6 70 109 A T > - 0 0 68 -19,-2.2 3,-1.8 -2,-0.2 -1,-0.1 -0.291 40.3-103.4 -79.8 163.1 22.6 7.6 15.7 71 110 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.776 114.0 67.7 -54.5 -36.7 25.7 5.7 14.8 72 111 A A T 3 S+ 0 0 77 2,-0.1 -1,-0.3 -21,-0.0 2,-0.1 0.478 76.7 99.7 -70.6 -14.1 24.8 5.8 11.1 73 112 A Q < - 0 0 11 -3,-1.8 2,-0.5 -22,-0.2 -71,-0.2 -0.379 67.5-135.5 -74.7 152.7 25.2 9.5 10.6 74 113 A T E -a 2 0A 63 -73,-2.1 -71,-3.6 -2,-0.1 2,-0.4 -0.981 14.3-151.2-112.2 111.3 28.4 10.9 9.1 75 114 A L E -a 3 0A 28 -2,-0.5 -71,-0.1 -73,-0.2 -44,-0.0 -0.695 15.2-170.3 -83.0 138.1 29.8 13.9 10.8 76 115 A L E - 0 0 34 -73,-1.8 2,-1.6 -2,-0.4 -54,-0.5 -0.965 30.9-129.3-129.8 148.0 31.8 16.3 8.6 77 116 A P E S+ 0 0 16 0, 0.0 11,-2.8 0, 0.0 2,-0.3 -0.374 75.1 108.8 -84.2 51.4 34.0 19.2 9.6 78 117 A R E - B 0 87A 92 -2,-1.6 -73,-3.3 -75,-0.4 2,-0.4 -0.954 54.9-152.9-138.6 157.5 32.1 21.4 7.1 79 118 A V E -aB 5 86A 0 7,-2.1 7,-2.3 -2,-0.3 -73,-0.2 -0.984 34.4-112.3-124.8 131.6 29.7 24.3 6.7 80 119 A A E + B 0 85A 19 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.408 32.5 174.9 -69.5 134.4 27.5 24.7 3.6 81 120 A N E > - 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