==== 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 6LPR . 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) . 7874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.2 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 . 12 6.0 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 . 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 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 55 0, 0.0 73,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.3 22.7 11.7 6.5 2 15BA N E -a 74 0A 99 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.819 360.0-137.1 -89.9 124.1 25.9 13.7 6.0 3 16 A I E +a 75 0A 0 71,-4.2 73,-1.9 -2,-0.5 2,-0.4 -0.822 34.9 162.7 -91.6 114.2 26.0 16.3 8.8 4 17 A V E > - 0 0 12 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.959 44.5-100.4-128.3 144.0 27.1 19.7 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.1 75,-3.1 -2,-0.4 15,-0.2 -0.262 104.7 27.1 -59.5 134.7 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 0.203 85.7 126.0 102.4 -18.2 23.8 25.1 7.7 7 29 A I < - 0 0 45 -3,-1.5 12,-2.7 97,-0.1 -1,-0.3 -0.343 61.1-104.3 -79.8 158.3 21.5 22.4 6.5 8 30 A E E +C 18 0B 80 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.444 36.7 172.4 -79.2 149.8 17.9 22.1 7.5 9 31 A Y E -C 17 0B 1 8,-2.1 8,-2.4 -2,-0.1 2,-0.3 -0.950 22.7-134.1-145.0 156.0 16.5 19.6 10.0 10 32 A S E -CD 16 45B 20 35,-1.9 35,-1.9 -2,-0.3 2,-0.5 -0.759 9.5-138.6-111.3 154.7 12.9 19.4 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.2 3,-2.3 -2,-0.3 4,-0.8 -0.978 80.2 -20.8-114.2 121.8 11.9 18.9 15.0 12 34 A N T 34 S- 0 0 84 31,-2.9 -1,-0.2 -2,-0.5 32,-0.1 0.805 116.3 -68.9 47.8 41.3 9.0 16.6 15.8 13 35 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.703 129.1 74.7 52.7 28.3 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 79 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.517 81.1 42.4-127.8 -83.1 6.8 20.6 12.9 15 40 A S E < -C 11 0B 70 -4,-0.8 -4,-2.2 22,-0.1 2,-0.4 -0.190 63.2-141.0 -71.6 159.6 9.5 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 -0.932 24.8 163.7-122.4 143.7 12.6 23.7 11.0 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.4 -0.834 33.2-109.2-141.6 179.9 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.7 16,-0.3 -2,-0.3 -10,-0.2 -0.905 31.1-107.8-117.9 149.0 19.6 24.7 10.8 19 44 A V - 0 0 0 -12,-2.7 -13,-3.5 -2,-0.4 127,-0.9 -0.530 28.1-166.7 -71.3 137.5 22.5 22.5 11.8 20 45 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.942 55.8 -26.8 -88.6 -83.7 25.3 24.4 13.7 21 46 A F E -E 32 0B 2 11,-0.8 11,-2.3 -16,-0.1 -1,-0.3 -0.988 55.8-114.6-140.3 140.8 28.4 22.2 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.4 -2,-0.3 2,-0.3 -0.555 47.1 166.1 -70.1 136.4 29.2 18.5 14.0 23 48 A V E -EF 30 195B 0 7,-2.9 7,-2.4 -2,-0.3 2,-0.3 -0.922 26.7-134.8-144.8 168.8 30.7 17.5 17.3 24 48AA T E -EF 29 194B 49 170,-2.4 170,-3.0 -2,-0.3 2,-0.4 -0.942 6.2-164.2-130.0 155.7 31.5 14.4 19.4 25 48BA R E > S-E 28 0B 114 3,-3.0 3,-2.6 -2,-0.3 168,-0.1 -0.856 73.9 -59.8-130.8 89.2 30.9 13.5 23.0 26 48CA G T 3 S- 0 0 71 -2,-0.4 -1,-0.2 1,-0.3 168,-0.1 -0.510 122.4 -17.8 64.0-138.4 33.2 10.5 23.6 27 48DA A T 3 S+ 0 0 108 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.452 118.8 106.4 -75.5 -2.1 31.9 7.9 21.1 28 49 A T E < -E 25 0B 53 -3,-2.6 -3,-3.0 40,-0.0 2,-0.3 -0.680 60.3-150.4 -83.7 134.2 28.7 9.8 20.7 29 50 A K E +EG 24 69B 63 40,-0.5 40,-2.9 -2,-0.4 2,-0.3 -0.706 32.1 141.5 -95.0 149.5 28.2 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.3 -0.954 39.4-124.4-164.2-177.7 26.1 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.5 -2,-0.3 2,-0.3 -0.982 21.1-128.2-139.6 150.1 25.6 18.5 16.4 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-1.8 -2,-0.3 -11,-0.8 -0.660 40.1 153.2 -93.3 148.2 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.3 32,-1.6 -2,-0.3 2,-0.2 -0.821 48.4 -53.8-154.0-171.3 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.3 -2,-0.2 4,-0.3 -0.510 37.4-139.1 -80.8 143.7 19.8 26.6 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 1,-0.3 24,-0.2 0.874 102.4 61.2 -67.5 -37.1 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 0.555 88.6 76.7 -67.4 -10.5 14.8 27.3 21.2 37 58 A a G < S- 0 0 10 -3,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.732 108.5 -10.8 -68.5 -29.9 14.7 24.8 18.3 38 59 A G < - 0 0 8 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.1 -0.972 61.7-112.0-158.6 168.7 13.6 21.8 20.5 39 62 A T > - 0 0 74 -2,-0.3 3,-3.2 1,-0.1 15,-0.4 -0.705 58.8 -73.2-103.6 165.0 12.9 20.3 23.9 40 63 A V T 3 S+ 0 0 66 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.260 123.6 17.9 -52.3 143.7 15.0 17.5 25.4 41 64 A N T 3 S+ 0 0 124 13,-3.2 -1,-0.3 1,-0.3 14,-0.1 0.248 87.5 143.8 67.9 -0.5 14.0 14.2 23.6 42 65 A A < - 0 0 3 -3,-3.2 12,-1.9 1,-0.1 2,-0.5 -0.319 54.6-114.1 -64.0 149.4 12.4 16.1 20.6 43 65AA T E - H 0 53B 36 10,-0.2 -31,-2.9 -3,-0.1 -30,-0.4 -0.774 24.7-154.7 -88.2 126.4 13.1 14.1 17.4 44 66 A A E -DH 11 52B 0 8,-2.3 7,-2.4 -2,-0.5 8,-1.2 -0.817 11.5-169.7-101.9 138.3 15.3 15.6 14.7 45 67 A R E -DH 10 50B 50 -35,-1.9 -35,-1.9 -2,-0.4 2,-0.5 -0.970 11.8-162.2-128.6 145.6 14.9 14.5 11.0 46 80 A I E > S- H 0 49B 25 3,-2.8 3,-1.9 -2,-0.4 -37,-0.1 -0.996 82.9 -11.5-129.0 119.3 17.0 15.2 8.0 47 81 A G T 3 S- 0 0 85 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.859 131.2 -54.4 60.2 42.2 15.3 14.6 4.6 48 82 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.385 115.6 114.1 71.1 3.4 12.5 12.9 6.3 49 83 A A E < S-H 46 0B 54 -3,-1.9 -3,-2.8 2,-0.0 2,-0.3 -0.861 72.5-114.6-108.1 137.5 14.8 10.4 8.2 50 84 A V E +H 45 0B 76 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.555 37.2 171.2 -65.8 125.8 15.2 10.3 12.0 51 85 A V E - 0 0 1 -7,-2.4 19,-2.2 1,-0.3 2,-0.3 0.609 54.4 -58.7-113.8 -20.0 18.8 11.3 12.8 52 86 A G E -HI 44 69B 5 -8,-1.2 -8,-2.3 17,-0.3 -1,-0.3 -0.964 51.7 -92.1 167.0-163.9 18.7 11.7 16.6 53 87 A T E -HI 43 68B 49 15,-1.7 15,-2.5 -2,-0.3 2,-0.3 -0.947 42.5 -86.9-144.1 160.1 17.1 13.6 19.5 54 88 A F E - I 0 67B 0 -12,-1.9 -13,-3.2 -15,-0.4 13,-0.3 -0.622 38.0-174.6 -65.9 125.3 17.8 16.7 21.6 55 89 A A E - 0 0 34 11,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.732 64.8 -15.1 -93.5 -30.5 20.0 15.6 24.4 56 90 A A E + I 0 66B 20 10,-1.3 10,-1.6 -17,-0.1 -1,-0.4 -0.976 62.2 174.8-161.7 157.5 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,-0.3 -0.961 18.8-150.5-163.4 158.1 19.3 22.5 25.8 58 93 A V E - I 0 64B 38 6,-2.6 6,-2.0 -2,-0.3 -23,-0.3 -0.971 26.5-177.5-129.8 123.8 19.1 25.8 27.7 59 94 A F + 0 0 27 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.773 53.8 15.7-171.6 131.9 16.5 28.4 26.6 60 99AA P S S+ 0 0 48 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.577 121.9 42.1 -82.4-154.9 15.8 31.2 27.4 61 100 A G B S+j 128 0C 34 66,-2.5 68,-3.1 -2,-0.2 2,-0.2 -0.568 136.3 13.1 93.1 -71.5 18.6 32.7 29.6 62 101 A N S S- 0 0 53 -2,-1.6 2,-0.1 66,-0.2 68,-0.1 -0.625 78.2-137.9-116.5 178.8 21.0 31.1 27.1 63 102 A D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.573 52.9 117.1-144.6 78.1 20.1 29.7 23.6 64 103 A R E + I 0 58B 18 -6,-2.0 -6,-2.6 -30,-0.3 2,-0.3 -0.965 24.0 158.1-143.9 158.7 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.3 -2,-0.3 2,-0.3 -0.965 21.8-145.8-166.0 169.3 21.4 22.6 22.5 66 105 A W E -GI 32 56B 7 -10,-1.6 -11,-2.7 -2,-0.3 -10,-1.3 -0.984 12.4-147.0-143.1 142.4 23.1 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.5 -36,-1.5 -2,-0.3 2,-0.5 -0.967 14.0-139.1-110.6 127.7 21.3 16.6 19.4 68 107 A S E -GI 30 53B 29 -15,-2.5 -15,-1.7 -2,-0.4 -38,-0.3 -0.805 26.4-152.3 -90.2 132.1 22.8 13.1 19.9 69 108 A L E -GI 29 52B 15 -40,-2.9 -40,-0.5 -2,-0.5 -17,-0.3 -0.600 18.3 -96.1 -99.8 167.5 22.7 11.3 16.6 70 109 A T > - 0 0 66 -19,-2.2 3,-2.0 -2,-0.2 -1,-0.1 -0.324 39.5-110.1 -76.3 156.0 22.5 7.6 15.6 71 110 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.721 113.0 72.5 -59.9 -23.5 25.8 5.9 14.8 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.609 76.8 97.0 -73.3 -13.9 24.7 5.8 11.2 73 112 A Q S < S- 0 0 12 -3,-2.0 2,-0.6 -22,-0.2 -71,-0.2 -0.392 70.5-133.6 -78.0 150.9 25.2 9.5 10.6 74 113 A T E -a 2 0A 64 -73,-2.2 -71,-4.2 -2,-0.1 2,-0.4 -0.943 15.4-150.9-108.2 111.3 28.3 10.9 9.0 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.688 15.1-169.7 -82.6 135.7 29.8 13.9 10.8 76 115 A L E - 0 0 35 -73,-1.9 2,-1.6 -2,-0.4 -54,-0.5 -0.957 29.9-131.9-129.0 146.8 31.8 16.3 8.6 77 116 A P E S+ 0 0 16 0, 0.0 11,-2.6 0, 0.0 2,-0.3 -0.398 74.8 104.8 -83.1 51.9 34.0 19.3 9.5 78 117 A R E - B 0 87A 92 -2,-1.6 -73,-3.1 -75,-0.3 2,-0.4 -0.964 56.3-151.8-142.7 157.4 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-2.1 7,-2.7 -2,-0.3 -73,-0.2 -0.984 35.7-111.9-123.5 133.6 29.7 24.4 6.7 80 119 A A E + B 0 85A 20 -75,-3.1 2,-0.3 -2,-0.4 5,-0.2 -0.440 32.1 177.0 -69.9 138.2 27.6 24.7 3.6 81 120 A N E > - 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