==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 26-NOV-96 2ULL . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR S.D.RADER,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 71.7 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 . 80 40.4 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 . 17 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.5 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 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 50 0, 0.0 73,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 161.3 22.6 11.5 6.3 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.9 73,-0.0 73,-0.2 -0.843 360.0-137.6 -92.8 124.7 25.7 13.7 5.9 3 16 A I E +a 75 0A 0 71,-3.2 73,-1.2 -2,-0.6 75,-0.4 -0.750 35.3 160.4 -91.2 106.1 25.9 16.3 8.7 4 17 A V E > - 0 0 11 -2,-0.9 3,-1.4 71,-0.1 15,-0.3 -0.965 43.8-102.8-126.0 138.8 27.0 19.6 7.3 5 18 A G E 3 S+a 79 0A 0 73,-2.8 75,-2.8 -2,-0.4 15,-0.2 -0.279 102.7 26.0 -60.7 142.8 26.5 23.0 9.0 6 19 A G T 3 S+ 0 0 3 13,-3.1 -1,-0.2 1,-0.3 102,-0.1 0.155 88.0 128.8 92.5 -18.0 23.7 25.1 7.7 7 31 A I < - 0 0 46 -3,-1.4 12,-2.4 97,-0.1 -1,-0.3 -0.309 61.1-101.3 -75.5 155.7 21.5 22.3 6.4 8 32 A E E +C 18 0B 85 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.384 40.1 168.3 -74.7 146.2 17.8 21.9 7.2 9 33 A Y E -C 17 0B 1 8,-1.7 8,-2.3 37,-0.1 2,-0.3 -0.957 23.5-134.5-153.1 146.5 16.4 19.5 9.8 10 34 A S E -CD 16 45B 19 35,-2.2 35,-2.0 -2,-0.3 2,-0.5 -0.712 9.3-137.8-104.0 160.7 12.9 19.2 11.3 11 35 A I E >> S-CD 15 44B 10 4,-2.2 3,-1.9 -2,-0.3 4,-0.7 -0.973 81.1 -20.9-122.8 119.2 11.9 18.7 14.9 12 36 A N T 34 S- 0 0 87 31,-3.0 -1,-0.1 -2,-0.5 32,-0.1 0.859 118.0 -66.3 50.0 41.8 9.1 16.3 15.7 13 38 A N T 34 S+ 0 0 116 30,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.699 128.5 78.6 56.0 25.8 7.8 16.6 12.1 14 39 A A T <4 S+ 0 0 76 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.572 78.1 33.9-122.7 -92.8 7.0 20.2 12.9 15 40 A S E < -C 11 0B 79 -4,-0.7 -4,-2.2 22,-0.1 2,-0.3 -0.245 65.1-135.6 -72.8 159.8 9.4 23.2 13.0 16 41 A L E +C 10 0B 68 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.889 27.3 163.0-115.3 146.4 12.5 23.6 10.8 17 42 A a E -C 9 0B 4 -8,-2.3 -8,-1.7 -2,-0.3 2,-0.4 -0.868 32.8-106.4-146.6 179.3 16.0 24.7 12.0 18 43 A S E -C 8 0B 0 125,-3.0 16,-0.3 -2,-0.3 -10,-0.2 -0.902 31.8-107.8-118.6 147.0 19.6 24.6 10.6 19 44 A V - 0 0 0 -12,-2.4 -13,-3.1 -2,-0.4 127,-1.0 -0.440 25.5-164.3 -70.4 139.1 22.5 22.4 11.7 20 44AA G - 0 0 0 12,-1.9 2,-0.3 125,-0.3 126,-0.3 0.892 56.9 -30.4 -86.4 -80.2 25.2 24.2 13.6 21 45 A F E -E 32 0B 1 11,-0.8 11,-2.1 -16,-0.1 -1,-0.3 -1.000 55.4-109.2-146.9 145.9 28.3 22.0 13.7 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.519 49.2 164.2 -70.2 134.4 29.2 18.3 13.7 23 47 A V E -EF 30 195B 0 7,-2.7 7,-2.0 172,-0.2 2,-0.3 -0.927 27.5-140.6-146.2 165.9 30.6 17.3 17.1 24 48 A T E -EF 29 194B 44 170,-1.9 170,-2.5 -2,-0.3 2,-0.4 -0.946 4.2-160.9-129.7 152.1 31.4 14.1 19.1 25 48AA R E > S-E 28 0B 128 3,-2.3 3,-1.9 -2,-0.3 2,-0.2 -0.841 74.0 -59.6-130.0 88.5 30.9 13.3 22.8 26 48BA G T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 168,-0.1 -0.528 121.3 -14.9 69.6-132.2 33.2 10.4 23.2 27 48CA A T 3 S+ 0 0 108 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.561 119.0 100.7 -78.3 -10.2 32.0 7.6 20.8 28 49 A T E < -E 25 0B 55 -3,-1.9 -3,-2.3 1,-0.0 2,-0.3 -0.552 63.8-145.5 -80.8 141.1 28.7 9.4 20.4 29 50 A K E +EG 24 69B 62 40,-0.7 40,-2.3 -5,-0.2 2,-0.3 -0.732 33.3 134.4-101.1 154.0 28.0 11.5 17.2 30 51 A G E -EG 23 68B 0 -7,-2.0 -7,-2.7 -2,-0.3 2,-0.3 -0.976 40.2-118.9-175.8-178.0 26.0 14.7 17.2 31 52 A F E -EG 22 67B 0 36,-1.6 36,-2.9 -2,-0.3 2,-0.3 -0.990 22.0-127.9-143.4 142.2 25.5 18.3 16.1 32 53 A V E +EG 21 66B 0 -11,-2.1 -12,-1.9 -2,-0.3 -11,-0.8 -0.652 39.4 150.3 -86.3 152.4 25.1 21.6 18.0 33 54 A T E - G 0 65B 0 32,-2.5 32,-1.5 -2,-0.3 2,-0.2 -0.856 48.5 -53.0-160.3-171.3 22.2 23.9 17.3 34 55 A A > - 0 0 0 -16,-0.3 3,-1.0 -2,-0.2 4,-0.3 -0.584 37.8-134.9 -82.0 144.7 19.9 26.4 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 1,-0.2 24,-0.2 0.832 102.9 61.4 -66.6 -33.1 18.1 25.6 22.2 36 57 A H G 3 S+ 0 0 60 1,-0.2 -1,-0.2 22,-0.2 23,-0.1 0.651 88.7 77.1 -70.1 -11.1 14.8 27.0 21.0 37 58 A a G < S- 0 0 7 -3,-1.0 2,-0.2 -19,-0.1 -1,-0.2 0.760 106.8 -9.1 -69.5 -28.6 14.8 24.5 18.1 38 59 A G < - 0 0 6 -3,-1.1 2,-0.3 -4,-0.3 -27,-0.0 -0.828 62.0-112.8-152.9-169.7 13.7 21.5 20.2 39 59AA T > - 0 0 77 -2,-0.2 3,-2.5 18,-0.0 15,-0.4 -0.886 60.4 -53.2-132.1 165.4 13.0 19.9 23.6 40 59BA V T 3 S- 0 0 97 -2,-0.3 15,-0.2 1,-0.3 16,-0.0 -0.145 123.5 -10.4 -48.3 106.9 14.6 17.2 25.7 41 60 A N T 3 S+ 0 0 98 13,-3.3 -1,-0.3 1,-0.2 2,-0.2 0.698 88.2 159.8 73.0 29.0 14.8 14.1 23.4 42 61 A A < - 0 0 4 -3,-2.5 12,-1.9 12,-0.1 2,-0.3 -0.501 46.4-103.6 -74.6 147.8 12.6 15.5 20.5 43 62 A T E - H 0 53B 38 10,-0.2 -31,-3.0 -2,-0.2 2,-0.4 -0.597 31.2-155.7 -81.3 130.8 13.2 13.6 17.2 44 64 A A E -DH 11 52B 0 8,-3.0 7,-2.4 -2,-0.3 8,-1.1 -0.855 9.6-165.0-105.5 139.5 15.3 15.3 14.5 45 65 A R E -DH 10 50B 53 -35,-2.0 -35,-2.2 -2,-0.4 2,-0.4 -0.968 13.2-176.6-129.1 142.6 14.9 14.4 10.8 46 66 A I E > S+ H 0 49B 24 3,-2.2 3,-1.6 -2,-0.4 -37,-0.1 -0.998 82.9 2.9-133.5 128.6 17.0 15.1 7.7 47 67 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.776 131.0 -63.9 66.2 25.4 15.7 14.0 4.3 48 81 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -38,-0.0 -1,-0.3 0.450 114.7 113.1 77.4 0.6 12.5 12.8 6.0 49 82 A A E < S-H 46 0B 54 -3,-1.6 -3,-2.2 1,-0.0 -1,-0.3 -0.796 74.5-107.3-107.9 148.2 14.5 10.2 8.0 50 83 A V E +H 45 0B 79 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.512 39.9 165.9 -69.9 134.5 15.2 10.0 11.7 51 84 A V E - 0 0 2 -7,-2.4 19,-2.2 1,-0.4 2,-0.3 0.629 56.0 -49.6-120.5 -30.1 18.8 10.9 12.6 52 85 A G E -HI 44 69B 4 -8,-1.1 -8,-3.0 17,-0.3 -1,-0.4 -0.973 51.3 -95.7 177.6-170.5 18.8 11.5 16.3 53 87 A T E -HI 43 68B 47 15,-2.0 15,-2.9 -2,-0.3 2,-0.9 -0.912 43.1 -89.1-132.6 159.7 17.2 13.3 19.3 54 88 A F E - I 0 67B 0 -12,-1.9 -13,-3.3 -15,-0.4 13,-0.3 -0.568 38.4-174.0 -70.5 104.5 17.8 16.4 21.3 55 88AA A E - 0 0 34 11,-1.6 2,-0.3 -2,-0.9 -1,-0.2 0.770 63.5 -15.8 -71.7 -27.5 20.2 15.2 24.0 56 89 A A E - I 0 66B 19 10,-1.2 10,-1.6 -3,-0.1 2,-0.3 -0.975 60.6-179.5-170.0 161.7 20.2 18.5 25.9 57 90 A R E - I 0 65B 77 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.986 18.8-154.0-166.0 158.0 19.3 22.2 25.8 58 91 A V E + I 0 64B 37 6,-2.4 6,-2.0 -2,-0.3 -23,-0.3 -0.902 29.0 177.3-141.0 106.5 19.2 25.6 27.6 59 94 A F + 0 0 23 -2,-0.3 2,-0.1 4,-0.2 4,-0.1 -0.863 53.3 20.2-161.5 129.0 16.6 28.0 26.4 60 95 A P S S+ 0 0 52 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.521 120.6 39.0 -83.5-154.3 15.9 30.7 27.4 61 100 A G B S+j 128 0C 40 66,-2.5 68,-1.5 -2,-0.1 2,-0.2 -0.495 136.0 14.9 91.3 -66.3 18.6 32.4 29.4 62 101 A N S S- 0 0 51 -2,-1.6 68,-0.1 66,-0.2 69,-0.0 -0.459 80.4-135.7-116.2-170.3 21.1 30.9 26.9 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.452 52.2 119.8-154.4 78.0 20.1 29.4 23.5 64 103 A R E + I 0 58B 21 -6,-2.0 -6,-2.4 -30,-0.3 2,-0.3 -0.955 22.6 156.9-143.9 158.5 21.9 26.2 23.0 65 104 A A E -GI 33 57B 0 -32,-1.5 -32,-2.5 -2,-0.3 2,-0.4 -0.970 22.5-143.1-171.0 159.5 21.4 22.5 22.3 66 105 A W E -GI 32 56B 15 -10,-1.6 -11,-1.6 -2,-0.3 -10,-1.2 -0.998 13.1-141.7-137.7 136.3 23.0 19.4 20.9 67 106 A V E -GI 31 54B 0 -36,-2.9 -36,-1.6 -2,-0.4 2,-0.7 -0.890 15.1-140.0 -97.8 122.3 21.3 16.6 19.0 68 107 A S E -GI 30 53B 32 -15,-2.9 -15,-2.0 -2,-0.5 -38,-0.3 -0.786 24.1-157.3 -84.8 115.3 22.6 13.1 19.7 69 108 A L E -GI 29 52B 8 -40,-2.3 -40,-0.7 -2,-0.7 -17,-0.3 -0.556 14.9-114.9 -93.8 156.4 22.8 11.2 16.4 70 109 A T > - 0 0 75 -19,-2.2 3,-1.5 -2,-0.2 -1,-0.1 -0.375 39.0 -99.7 -80.5 168.2 22.8 7.4 15.8 71 110 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.692 113.4 77.3 -63.8 -17.7 25.9 5.8 14.4 72 111 A A T 3 S+ 0 0 73 -21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.643 77.9 87.7 -67.6 -17.5 24.3 5.7 10.9 73 112 A Q S < S- 0 0 11 -3,-1.5 2,-0.6 -22,-0.2 -71,-0.2 -0.511 74.4-131.9 -85.7 154.7 24.9 9.4 10.3 74 113 A T E -a 2 0A 65 -73,-2.8 -71,-3.2 -2,-0.2 2,-0.3 -0.928 16.3-147.5-111.4 112.9 28.2 10.8 8.8 75 114 A L E -a 3 0A 30 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.583 18.4-171.5 -78.4 140.0 29.8 13.7 10.6 76 119 A L E - 0 0 33 -73,-1.2 2,-1.7 -2,-0.3 -54,-0.5 -0.985 33.4-129.6-137.1 144.8 31.7 16.2 8.5 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.3 0, 0.0 2,-0.3 -0.350 74.4 115.0 -85.3 57.9 33.9 19.2 9.2 78 120AA R E - B 0 87A 77 -2,-1.7 -73,-2.8 -75,-0.4 2,-0.4 -0.904 50.4-164.7-135.3 158.8 31.8 21.4 6.8 79 120BA V E -aB 5 86A 0 7,-1.3 7,-2.4 -2,-0.3 2,-0.2 -0.993 38.7-109.7-137.5 130.5 29.5 24.4 6.6 80 120CA A E + B 0 85A 19 -75,-2.8 2,-0.3 -2,-0.4 5,-0.2 -0.443 34.3 173.8 -69.3 131.6 27.4 24.9 3.5 81 120DA N E > - 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