==== 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 9LPR . 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) . 7911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 67.2 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 . 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 53 0, 0.0 73,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.2 22.7 11.7 6.4 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.855 360.0-136.8 -91.9 127.5 25.8 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.5 73,-1.9 -2,-0.5 75,-0.3 -0.846 35.9 160.5 -94.2 110.2 26.0 16.3 8.9 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.4 71,-0.1 15,-0.3 -0.926 44.9-101.4-125.9 141.8 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 -0.379 103.5 28.2 -63.7 145.2 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 3 13,-3.7 -1,-0.2 1,-0.3 102,-0.2 0.166 86.7 125.3 92.8 -14.2 23.9 25.2 7.8 7 29 A I < - 0 0 47 -3,-1.4 12,-2.6 97,-0.1 -1,-0.3 -0.381 62.2-101.4 -82.9 159.0 21.6 22.4 6.5 8 30 A E E +C 18 0B 81 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.396 38.0 170.9 -76.4 150.4 17.9 22.0 7.5 9 31 A Y E -C 17 0B 2 8,-1.9 8,-2.4 37,-0.1 2,-0.3 -0.937 22.8-135.5-148.2 155.2 16.5 19.6 10.0 10 32 A S E -CD 16 45B 21 35,-2.3 35,-2.0 -2,-0.3 2,-0.5 -0.759 9.3-137.8-114.0 158.1 13.0 19.4 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.7 -2,-0.3 4,-0.9 -0.989 79.9 -20.1-121.5 124.8 11.9 18.9 15.0 12 34 A N T 34 S- 0 0 84 31,-2.4 -1,-0.2 -2,-0.5 32,-0.1 0.807 118.3 -66.6 46.0 41.5 9.0 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 0.672 129.4 73.1 58.2 24.8 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 78 -3,-2.7 -2,-0.2 1,-0.4 -1,-0.1 0.585 79.3 42.7-127.6 -81.6 7.0 20.6 12.8 15 40 A S E < -C 11 0B 71 -4,-0.9 -4,-2.3 22,-0.1 -1,-0.4 -0.329 64.1-140.9 -72.2 155.3 9.6 23.3 13.2 16 41 A L E +C 10 0B 68 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.900 24.9 165.5-115.1 147.8 12.7 23.7 11.0 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-1.9 -2,-0.3 2,-0.4 -0.841 32.6-109.7-143.8-180.0 16.1 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.5 16,-0.3 -2,-0.3 -10,-0.2 -0.946 31.1-109.0-119.2 144.6 19.7 24.7 10.8 19 44 A V - 0 0 0 -12,-2.6 -13,-3.7 -2,-0.4 127,-0.9 -0.537 26.4-164.7 -72.1 137.1 22.6 22.5 12.0 20 45 A G - 0 0 0 12,-2.1 2,-0.3 125,-0.3 126,-0.3 0.955 57.8 -27.2 -83.6 -78.3 25.3 24.5 13.8 21 46 A F E -E 32 0B 2 11,-0.9 11,-2.1 -16,-0.1 -1,-0.3 -0.996 56.2-110.8-145.6 145.2 28.4 22.2 13.9 22 47 A S E +E 31 0B 5 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.507 47.4 164.0 -73.2 137.9 29.3 18.5 14.0 23 48 A V E -EF 30 195B 0 7,-2.6 7,-2.2 172,-0.3 2,-0.3 -0.934 26.7-138.5-145.0 169.9 30.7 17.4 17.4 24 48AA T E -EF 29 194B 48 170,-2.3 170,-2.4 -2,-0.3 2,-0.3 -0.933 4.7-161.0-130.9 159.4 31.4 14.3 19.3 25 48BA R E > S-E 28 0B 127 3,-2.9 3,-2.0 -2,-0.3 2,-0.1 -0.807 72.4 -60.9-133.4 86.9 31.0 13.4 23.0 26 48CA G T 3 S- 0 0 69 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.523 123.1 -14.4 68.0-138.2 33.3 10.4 23.6 27 48DA A T 3 S+ 0 0 107 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.535 119.5 101.4 -68.5 -10.9 31.9 7.7 21.2 28 49 A T E < -E 25 0B 52 -3,-2.0 -3,-2.9 40,-0.0 2,-0.3 -0.640 61.6-147.7 -84.3 135.3 28.6 9.7 20.6 29 50 A K E +EG 24 69B 66 40,-0.5 40,-3.3 -2,-0.3 2,-0.3 -0.695 32.2 143.8 -94.4 150.8 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.3 -0.946 37.7-128.5-166.5-178.0 26.0 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.3 36,-2.4 -2,-0.3 2,-0.3 -0.965 23.2-125.7-144.1 147.5 25.6 18.6 16.3 32 53 A V E +EG 21 66B 0 -11,-2.1 -12,-2.1 -2,-0.3 -11,-0.9 -0.690 40.8 151.4 -94.4 151.2 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.4 32,-2.0 -2,-0.3 2,-0.2 -0.843 46.9 -50.0-159.7-171.9 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.6 -2,-0.3 4,-0.3 -0.539 35.9-139.2 -81.8 141.2 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.3 1,-0.3 24,-0.2 0.884 102.4 60.8 -64.1 -43.0 18.1 25.8 22.4 36 57 A H G 3 S+ 0 0 41 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.503 88.5 76.6 -65.9 -8.6 14.9 27.4 21.2 37 58 A a G < S- 0 0 10 -3,-1.6 2,-0.3 1,-0.1 -1,-0.3 0.733 108.2 -12.5 -73.6 -30.7 14.7 24.8 18.3 38 59 A G < - 0 0 8 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.1 -0.976 61.0-113.4-159.5 170.0 13.6 21.8 20.5 39 62 A T > - 0 0 75 -2,-0.3 3,-2.7 1,-0.1 15,-0.4 -0.683 58.9 -69.6-107.0 165.3 13.0 20.4 23.9 40 63 A V T 3 S+ 0 0 67 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.265 124.2 18.1 -55.4 138.5 15.0 17.5 25.4 41 64 A N T 3 S+ 0 0 119 13,-2.6 -1,-0.3 1,-0.3 14,-0.1 0.246 87.4 145.2 73.5 2.5 14.0 14.2 23.6 42 65 A A < - 0 0 3 -3,-2.7 12,-2.3 1,-0.1 2,-0.5 -0.289 53.8-111.9 -64.0 146.7 12.5 16.1 20.6 43 65AA T E - H 0 53B 36 10,-0.2 -31,-2.4 -3,-0.1 -30,-0.4 -0.753 24.6-152.8 -86.1 124.9 13.1 14.1 17.4 44 66 A A E -DH 11 52B 0 8,-2.7 7,-2.4 -2,-0.5 8,-1.2 -0.795 13.2-171.6 -99.2 136.2 15.4 15.5 14.7 45 67 A R E -DH 10 50B 50 -35,-2.0 -35,-2.3 -2,-0.4 2,-0.4 -0.977 11.5-164.3-130.4 141.1 14.9 14.6 11.1 46 80 A I E > S- H 0 49B 24 3,-2.8 3,-2.1 -2,-0.4 -37,-0.1 -1.000 81.2 -15.5-127.6 119.5 17.0 15.2 8.0 47 81 A G T 3 S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.866 130.5 -51.9 54.6 46.4 15.4 14.8 4.6 48 82 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.162 116.4 110.2 77.8 -14.9 12.6 12.9 6.2 49 83 A A E < S-H 46 0B 57 -3,-2.1 -3,-2.8 1,-0.0 2,-0.3 -0.741 73.3-115.3 -97.5 142.3 14.8 10.4 8.1 50 84 A V E +H 45 0B 73 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.556 37.2 169.8 -67.7 130.4 15.2 10.3 11.9 51 85 A V E - 0 0 1 -7,-2.4 19,-2.4 1,-0.4 2,-0.3 0.637 55.7 -54.9-119.6 -19.4 18.9 11.2 12.8 52 86 A G E -HI 44 69B 5 -8,-1.2 -8,-2.7 17,-0.3 -1,-0.4 -0.967 51.9 -94.2 169.8-163.9 18.8 11.7 16.6 53 87 A T E -HI 43 68B 51 15,-2.0 15,-2.5 -2,-0.3 2,-0.2 -0.974 43.5 -84.7-144.3 156.8 17.1 13.6 19.5 54 88 A F E - I 0 67B 0 -12,-2.3 -13,-2.6 -15,-0.4 13,-0.3 -0.497 38.2-175.0 -62.4 126.8 17.7 16.6 21.6 55 89 A A E - 0 0 35 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.765 64.6 -17.1 -90.1 -35.9 20.1 15.6 24.4 56 90 A A E - I 0 66B 20 10,-1.4 10,-1.8 -17,-0.1 -1,-0.4 -0.975 61.5-179.9-162.1 159.4 20.1 18.8 26.2 57 91 A R E - I 0 65B 79 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.980 17.6-152.0-162.1 160.2 19.2 22.5 25.9 58 93 A V E - I 0 64B 39 6,-2.8 6,-2.3 -2,-0.3 -23,-0.3 -0.947 26.3-179.4-135.1 118.7 19.1 25.8 27.6 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.794 54.9 12.5-169.5 132.6 16.5 28.4 26.6 60 99AA P S S+ 0 0 47 0, 0.0 2,-1.3 0, 0.0 68,-0.2 0.645 122.0 44.7 -82.8-155.1 15.8 31.2 27.4 61 100 A G B S+j 128 0C 33 66,-2.5 68,-2.6 -2,-0.2 2,-0.2 -0.616 136.2 10.2 93.0 -70.3 18.7 32.6 29.7 62 101 A N S S- 0 0 52 -2,-1.3 2,-0.1 66,-0.2 68,-0.1 -0.626 78.7-134.0-119.8-178.1 21.1 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 119,-0.2 -0.620 55.1 120.9-144.1 77.9 20.1 29.7 23.6 64 103 A R E + I 0 58B 17 -6,-2.3 -6,-2.8 -30,-0.3 2,-0.3 -0.988 23.4 157.8-144.8 153.5 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-2.0 -32,-2.4 -2,-0.3 2,-0.4 -0.962 21.7-147.8-163.4 165.1 21.3 22.6 22.6 66 105 A W E -GI 32 56B 9 -10,-1.8 -11,-2.6 -2,-0.3 -10,-1.4 -0.978 13.2-148.1-138.4 143.5 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.3 -2,-0.4 2,-0.4 -0.977 14.2-137.6-109.6 122.6 21.3 16.6 19.4 68 107 A S E -GI 30 53B 29 -15,-2.5 -15,-2.0 -2,-0.4 -38,-0.3 -0.776 25.3-149.0 -87.7 136.8 22.8 13.2 19.9 69 108 A L E -GI 29 52B 15 -40,-3.3 -40,-0.5 -2,-0.4 -17,-0.3 -0.632 13.9-106.9-100.6 161.3 22.8 11.3 16.6 70 109 A T > - 0 0 68 -19,-2.4 3,-1.5 -2,-0.2 -1,-0.1 -0.259 40.9-103.3 -75.6 169.3 22.5 7.6 15.7 71 110 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.719 113.8 68.3 -67.5 -26.2 25.7 5.8 14.6 72 111 A A T 3 S+ 0 0 80 2,-0.1 -1,-0.3 -21,-0.1 2,-0.2 0.367 77.8 104.4 -75.7 -3.1 24.8 5.8 10.9 73 112 A Q < - 0 0 12 -3,-1.5 2,-0.6 -22,-0.1 -71,-0.2 -0.483 66.9-138.9 -79.6 147.4 25.2 9.6 10.7 74 113 A T E -a 2 0A 64 -73,-2.0 -71,-3.5 -2,-0.2 2,-0.4 -0.973 12.8-149.3-113.0 111.7 28.4 10.9 9.1 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.721 15.9-169.7 -81.5 132.5 29.9 13.9 10.8 76 115 A L E - 0 0 33 -73,-1.9 2,-1.3 -2,-0.4 -54,-0.5 -0.960 29.5-133.2-127.0 144.8 31.8 16.3 8.6 77 116 A P E S+ 0 0 17 0, 0.0 11,-3.4 0, 0.0 2,-0.3 -0.348 73.9 106.0 -84.7 50.2 34.0 19.2 9.5 78 117 A R E - B 0 87A 93 -2,-1.3 -73,-3.2 -75,-0.3 2,-0.4 -0.930 55.8-152.0-138.4 160.4 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-1.9 7,-2.5 -2,-0.3 -73,-0.2 -0.995 35.9-110.8-127.5 131.4 29.8 24.4 6.7 80 119 A A E + B 0 85A 18 -75,-3.3 2,-0.3 -2,-0.4 5,-0.2 -0.399 32.5 176.9 -68.4 139.3 27.6 24.8 3.6 81 120 A N E > - 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