==== 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 24-APR-89 1P01 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 199 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.3 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 . 80 40.2 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 . 1 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 2 0 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,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.2 22.7 11.7 6.4 2 15BA N E -a 74 0A 98 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.828 360.0-137.5 -87.5 127.0 25.9 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.7 73,-1.7 -2,-0.5 2,-0.3 -0.847 33.8 164.7 -94.9 117.3 26.0 16.3 8.8 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.5 71,-0.1 15,-0.3 -0.955 43.5 -99.7-127.2 143.6 27.1 19.7 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.4 75,-3.2 -2,-0.3 15,-0.2 -0.354 105.1 26.4 -61.1 140.2 26.8 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.5 -1,-0.2 1,-0.3 102,-0.2 0.205 86.0 127.3 99.5 -18.2 23.8 25.1 7.8 7 29 A I < - 0 0 44 -3,-1.5 12,-2.6 97,-0.1 -1,-0.3 -0.398 61.3-102.5 -79.7 159.5 21.5 22.3 6.5 8 30 A E E +C 18 0B 81 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.429 38.2 171.7 -78.6 150.5 17.9 22.0 7.4 9 31 A Y E -C 17 0B 2 8,-2.2 8,-2.4 -2,-0.1 2,-0.3 -0.940 22.3-136.4-146.6 155.1 16.5 19.5 10.0 10 32 A S E -CD 16 45B 23 35,-2.2 35,-1.9 -2,-0.3 2,-0.5 -0.796 8.7-139.1-112.2 157.8 13.0 19.3 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.3 -2,-0.3 4,-0.9 -0.985 80.6 -19.5-118.7 122.3 11.9 18.8 15.1 12 34 A N T 34 S- 0 0 84 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.829 117.9 -67.4 49.3 41.7 9.0 16.5 15.8 13 35 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.695 129.1 72.5 51.9 25.3 7.8 16.8 12.2 14 39 A A T <4 S+ 0 0 78 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.529 79.6 44.8-127.8 -80.1 6.9 20.5 12.8 15 40 A S E < -C 11 0B 71 -4,-0.9 -4,-2.3 22,-0.1 2,-0.4 -0.310 63.8-141.9 -71.8 158.8 9.5 23.2 13.2 16 41 A L E +C 10 0B 66 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.911 24.9 163.6-119.3 143.1 12.6 23.7 11.0 17 42 A a E -C 9 0B 5 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.3 -0.858 32.9-109.8-140.2-179.2 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-3.1 16,-0.3 -2,-0.3 -10,-0.2 -0.901 30.7-108.4-116.2 152.0 19.6 24.6 10.8 19 44 A V - 0 0 0 -12,-2.6 -13,-3.5 -2,-0.3 127,-0.8 -0.486 26.4-166.0 -75.0 143.3 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 0.938 57.3 -27.3 -88.8 -80.4 25.3 24.4 13.7 21 46 A F E -E 32 0B 4 11,-1.0 11,-2.2 -16,-0.1 -1,-0.3 -0.993 55.3-112.5-143.2 144.6 28.4 22.1 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.525 47.0 164.5 -69.7 139.2 29.2 18.4 14.0 23 48 A V E -EF 30 195B 0 7,-2.6 7,-2.1 172,-0.3 2,-0.3 -0.911 26.2-138.5-146.9 168.0 30.7 17.4 17.4 24 48AA T E -EF 29 194B 47 170,-2.3 170,-3.0 -2,-0.3 2,-0.3 -0.929 5.6-161.7-130.6 160.5 31.5 14.3 19.4 25 48BA R E > S-E 28 0B 115 3,-2.4 3,-2.2 -2,-0.3 168,-0.1 -0.861 74.4 -58.5-135.8 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 -0.477 123.0 -16.1 66.7-133.0 33.3 10.4 23.6 27 48DA A T 3 S+ 0 0 107 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.459 117.2 103.8 -76.0 -2.2 32.0 7.8 21.1 28 49 A T E < -E 25 0B 52 -3,-2.2 -3,-2.4 40,-0.0 2,-0.3 -0.702 61.7-147.0 -85.7 136.3 28.6 9.7 20.6 29 50 A K E +EG 24 69B 64 40,-0.5 40,-2.9 -2,-0.4 2,-0.3 -0.683 33.2 145.5 -92.7 151.6 28.1 11.7 17.4 30 51 A G E -EG 23 68B 0 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.3 -0.949 37.5-128.6-165.5 179.8 26.1 14.9 17.6 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.4 -2,-0.3 2,-0.3 -0.979 21.3-127.8-140.0 149.6 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-1.8 -2,-0.3 -11,-1.0 -0.677 40.4 151.8 -92.7 148.2 25.2 21.7 18.3 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.6 -2,-0.3 2,-0.2 -0.799 48.7 -54.5-156.0-169.7 22.2 23.9 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.4 -2,-0.2 30,-0.3 -0.608 36.4-137.7 -82.6 142.3 19.9 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.3 1,-0.3 24,-0.2 0.832 102.3 62.5 -68.6 -31.8 18.1 25.6 22.4 36 57 A H G 3 S+ 0 0 39 1,-0.3 -1,-0.3 22,-0.2 23,-0.1 0.630 87.7 75.1 -69.0 -12.7 14.9 27.2 21.2 37 58 A a G < S- 0 0 10 -3,-1.4 2,-0.3 1,-0.1 -1,-0.3 0.710 109.7 -10.5 -68.6 -26.9 14.7 24.7 18.3 38 59 A G < - 0 0 8 -3,-1.3 2,-0.2 -4,-0.3 -1,-0.1 -0.989 60.8-114.3-159.1 167.6 13.6 21.7 20.5 39 62 A T > - 0 0 75 -2,-0.3 3,-2.8 1,-0.2 15,-0.4 -0.667 59.6 -69.4-104.7 166.6 13.0 20.3 24.0 40 63 A V T 3 S+ 0 0 67 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.221 123.6 17.0 -52.0 141.3 15.0 17.4 25.4 41 64 A N T 3 S+ 0 0 121 13,-3.1 -1,-0.3 1,-0.3 14,-0.1 0.273 86.1 144.8 71.1 0.3 14.0 14.2 23.6 42 65 A A < - 0 0 4 -3,-2.8 12,-2.1 1,-0.1 2,-0.4 -0.323 53.8-114.2 -64.0 148.6 12.4 15.9 20.6 43 65AA T E - H 0 53B 36 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.745 24.5-153.5 -89.1 130.5 13.1 13.9 17.4 44 66 A A E -DH 11 52B 0 8,-2.6 7,-2.5 -2,-0.4 8,-1.2 -0.860 12.0-170.7-103.0 139.5 15.3 15.5 14.7 45 67 A R E -DH 10 50B 50 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.5 -0.966 10.8-162.8-129.8 145.5 14.9 14.4 11.0 46 80 A I E > S- H 0 49B 23 3,-2.6 3,-2.1 -2,-0.4 -37,-0.1 -1.000 81.5 -12.8-129.8 121.6 17.0 15.2 8.0 47 81 A G T 3 S- 0 0 86 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.881 131.8 -51.7 53.5 46.7 15.4 14.7 4.6 48 82 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.254 115.8 108.6 76.7 -7.5 12.6 12.8 6.2 49 83 A A E < S-H 46 0B 55 -3,-2.1 -3,-2.6 1,-0.0 2,-0.3 -0.796 73.9-112.3-106.7 147.0 14.7 10.3 8.2 50 84 A V E +H 45 0B 75 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.558 37.8 169.3 -69.8 126.9 15.2 10.2 11.9 51 85 A V E - 0 0 1 -7,-2.5 19,-2.6 1,-0.4 2,-0.3 0.590 55.6 -52.0-116.4 -20.7 18.8 11.2 12.7 52 86 A G E -HI 44 69B 5 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.4 -0.970 52.1 -96.3 172.2-167.4 18.8 11.6 16.6 53 87 A T E -HI 43 68B 50 15,-2.0 15,-2.7 -2,-0.3 2,-0.3 -0.947 42.8 -87.7-139.2 161.1 17.1 13.4 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.1 -15,-0.4 13,-0.3 -0.607 37.5-173.5 -66.8 124.8 17.7 16.5 21.5 55 89 A A E - 0 0 36 11,-3.0 2,-0.3 1,-0.4 12,-0.2 0.740 63.4 -18.2 -94.9 -27.7 20.1 15.5 24.3 56 90 A A E + I 0 66B 21 10,-1.3 10,-1.8 -17,-0.1 -1,-0.4 -0.952 61.3 176.3-165.6 156.9 20.1 18.8 26.3 57 91 A R E - I 0 65B 74 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.960 18.0-151.4-161.6 162.7 19.2 22.4 25.9 58 93 A V E - I 0 64B 38 6,-2.3 6,-2.1 -2,-0.3 -23,-0.3 -0.963 25.8-179.2-137.6 120.8 19.0 25.7 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.761 54.6 19.5-170.4 131.8 16.5 28.3 26.6 60 99AA P S S+ 0 0 48 0, 0.0 2,-1.7 0, 0.0 68,-0.2 0.577 120.9 42.1 -81.4-154.5 15.8 31.1 27.5 61 100 A G B S+j 128 0C 32 66,-2.6 68,-2.7 -2,-0.2 2,-0.2 -0.569 136.7 10.2 91.5 -70.1 18.7 32.6 29.7 62 101 A N S S- 0 0 54 -2,-1.7 2,-0.2 66,-0.2 68,-0.1 -0.618 78.9-136.1-119.8-173.4 21.1 31.1 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.608 53.3 119.2-148.9 82.8 20.0 29.6 23.7 64 103 A R E + I 0 58B 18 -6,-2.1 -6,-2.3 -30,-0.3 2,-0.3 -0.973 24.2 160.4-147.9 156.0 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 -0.962 21.4-146.0-165.0 166.3 21.4 22.6 22.6 66 105 A W E -GI 32 56B 7 -10,-1.8 -11,-3.0 -2,-0.3 -10,-1.3 -0.990 12.1-148.8-139.2 144.7 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.5 -2,-0.3 2,-0.4 -0.970 14.1-138.2-112.9 128.3 21.3 16.5 19.4 68 107 A S E -GI 30 53B 28 -15,-2.7 -15,-2.0 -2,-0.4 -38,-0.3 -0.790 25.6-151.2 -91.3 135.0 22.8 13.1 19.9 69 108 A L E -GI 29 52B 15 -40,-2.9 -40,-0.5 -2,-0.4 -17,-0.3 -0.655 16.7-101.0-102.7 162.1 22.8 11.2 16.6 70 109 A T > - 0 0 65 -19,-2.6 3,-2.0 -2,-0.2 -1,-0.1 -0.286 39.9-106.9 -72.1 163.1 22.6 7.5 15.6 71 110 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.652 114.1 70.7 -62.5 -23.2 25.8 5.8 14.7 72 111 A A T 3 S+ 0 0 76 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.453 76.5 99.7 -77.0 -5.0 24.8 5.8 11.1 73 112 A Q < - 0 0 12 -3,-2.0 2,-0.6 -22,-0.2 -71,-0.2 -0.442 68.6-136.7 -78.7 150.4 25.2 9.6 10.7 74 113 A T E -a 2 0A 62 -73,-2.1 -71,-3.7 -2,-0.1 2,-0.4 -0.957 15.0-151.1-109.0 112.5 28.4 10.9 9.0 75 114 A L E -a 3 0A 30 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.697 15.2-171.1 -83.6 139.1 29.9 13.8 10.8 76 115 A L E - 0 0 35 -73,-1.7 2,-1.7 -2,-0.4 -54,-0.5 -0.965 31.4-129.4-132.9 147.6 31.9 16.3 8.7 77 116 A P E S+ 0 0 17 0, 0.0 11,-3.0 0, 0.0 2,-0.3 -0.366 75.3 104.5 -81.7 52.3 34.0 19.2 9.5 78 117 A R E - B 0 87A 90 -2,-1.7 -73,-3.4 -75,-0.3 2,-0.4 -0.972 54.4-154.6-143.4 155.0 32.2 21.5 7.1 79 118 A V E -aB 5 86A 0 7,-2.2 7,-2.2 -2,-0.3 -73,-0.2 -0.985 36.0-109.6-121.8 138.9 29.7 24.3 6.8 80 119 A A E + B 0 85A 19 -75,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.382 31.7 176.2 -71.1 141.7 27.6 24.8 3.6 81 120 A N E > - 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