==== 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 1P02 . 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) . 7847.0 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 . 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 . 11 5.5 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 . 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 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 54 0, 0.0 73,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.5 22.7 11.7 6.5 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.845 360.0-137.3 -88.6 125.3 25.9 13.6 6.0 3 16 A I E +a 75 0A 0 71,-3.9 73,-1.8 -2,-0.5 2,-0.3 -0.846 34.3 164.0 -94.1 113.9 26.0 16.2 8.8 4 17 A V E > - 0 0 12 -2,-0.8 3,-1.4 71,-0.1 15,-0.3 -0.944 43.4-100.1-125.0 144.5 27.1 19.6 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 -0.366 104.3 25.8 -62.6 139.3 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.7 -1,-0.2 1,-0.3 102,-0.2 0.222 86.1 127.0 96.7 -15.4 23.8 25.1 7.8 7 29 A I < - 0 0 44 -3,-1.4 12,-2.3 97,-0.1 -1,-0.3 -0.381 61.8-100.6 -80.4 161.7 21.5 22.3 6.5 8 30 A E E +C 18 0B 79 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.424 38.6 171.8 -80.6 152.6 17.8 22.0 7.4 9 31 A Y E -C 17 0B 2 8,-1.9 8,-2.4 -2,-0.1 2,-0.3 -0.949 22.2-137.2-147.8 154.2 16.5 19.5 10.0 10 32 A S E -CD 16 45B 20 35,-2.1 35,-1.9 -2,-0.3 2,-0.5 -0.800 9.3-139.3-114.7 158.6 12.9 19.4 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.5 -2,-0.3 4,-0.8 -0.987 80.1 -18.3-120.0 124.1 11.9 18.9 15.0 12 34 A N T 34 S- 0 0 83 31,-2.5 -1,-0.2 -2,-0.5 32,-0.1 0.805 117.9 -68.3 48.1 41.2 9.0 16.6 15.9 13 35 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.691 129.1 71.6 54.6 25.0 7.8 16.8 12.3 14 39 A A T <4 S+ 0 0 79 -3,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.519 79.8 45.8-130.5 -81.8 6.9 20.5 12.8 15 40 A S E < -C 11 0B 74 -4,-0.8 -4,-2.3 22,-0.1 2,-0.4 -0.215 64.4-142.2 -67.8 156.2 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 -0.934 25.1 163.5-117.3 141.9 12.6 23.7 11.0 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-1.9 -2,-0.4 2,-0.3 -0.841 32.8-110.3-141.5-177.3 16.1 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.3 2,-0.2 -0.916 31.1-107.1-119.0 151.6 19.6 24.6 10.7 19 44 A V - 0 0 0 -12,-2.3 -13,-3.7 -2,-0.3 127,-0.8 -0.535 26.9-166.9 -77.2 139.9 22.5 22.5 11.9 20 45 A G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.943 57.5 -24.5 -87.1 -77.5 25.3 24.4 13.7 21 46 A F E -E 32 0B 3 11,-1.1 11,-2.2 -16,-0.1 -1,-0.3 -0.997 54.5-114.8-144.7 140.8 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 -0.550 47.5 165.0 -66.9 138.9 29.3 18.4 14.0 23 48 A V E -EF 30 195B 0 7,-2.5 7,-2.0 172,-0.3 2,-0.3 -0.917 26.7-138.6-148.2 168.2 30.7 17.5 17.4 24 48AA T E -EF 29 194B 48 170,-2.5 170,-3.0 -2,-0.3 2,-0.3 -0.937 6.9-165.3-129.5 157.6 31.5 14.4 19.4 25 48BA R E > S-E 28 0B 115 3,-2.5 3,-2.0 -2,-0.3 2,-0.1 -0.830 74.6 -56.6-136.0 89.0 31.1 13.5 23.1 26 48CA G T 3 S- 0 0 70 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.473 122.1 -18.7 68.4-139.2 33.2 10.3 23.6 27 48DA A T 3 S+ 0 0 106 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.481 117.5 105.5 -73.2 -6.9 31.9 7.8 21.1 28 49 A T E < -E 25 0B 52 -3,-2.0 -3,-2.5 40,-0.0 2,-0.3 -0.679 61.3-147.6 -81.5 135.7 28.6 9.7 20.7 29 50 A K E +E 24 0B 65 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.658 32.2 147.9 -94.6 150.6 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.0 -7,-2.5 38,-0.3 2,-0.3 -0.951 36.7-129.8-163.6 178.8 26.1 15.0 17.7 31 52 A F E -EG 22 67B 0 36,-1.4 36,-2.6 -2,-0.3 2,-0.3 -0.969 21.3-128.3-139.9 147.4 25.5 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-2.0 -2,-0.3 -11,-1.1 -0.676 40.4 150.0 -93.0 147.9 25.2 21.8 18.2 33 54 A T E - G 0 65B 0 32,-2.3 32,-1.7 -2,-0.3 2,-0.3 -0.800 48.7 -54.0-156.6-169.2 22.2 24.0 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.5 30,-0.2 30,-0.3 -0.650 35.9-136.5 -83.9 143.0 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 23,-0.4 3,-1.3 1,-0.3 24,-0.2 0.834 102.6 62.7 -65.7 -32.3 18.1 25.7 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.3 -1,-0.3 22,-0.2 23,-0.1 0.610 88.0 73.6 -70.2 -12.1 14.9 27.3 21.1 37 58 A a G < S- 0 0 10 -3,-1.5 2,-0.3 1,-0.1 -1,-0.3 0.697 108.8 -5.3 -71.5 -26.9 14.7 24.7 18.3 38 59 A G < - 0 0 7 -3,-1.3 2,-0.2 -4,-0.3 -1,-0.1 -0.992 60.4-116.1-158.0 163.3 13.6 21.8 20.5 39 62 A T > - 0 0 76 -2,-0.3 3,-2.6 1,-0.1 15,-0.3 -0.646 59.0 -74.2 -98.8 165.4 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,-0.1 -0.301 123.3 19.2 -54.7 141.6 15.0 17.5 25.4 41 64 A N T 3 S+ 0 0 122 13,-3.1 -1,-0.3 1,-0.3 14,-0.1 0.203 86.9 143.0 73.5 -3.5 14.0 14.2 23.7 42 65 A A < - 0 0 3 -3,-2.6 12,-2.2 1,-0.1 2,-0.4 -0.294 54.7-113.8 -62.1 147.9 12.4 16.0 20.6 43 65AA T E - H 0 53B 36 10,-0.2 -31,-2.5 -3,-0.1 2,-0.4 -0.745 24.2-153.3 -88.4 131.3 13.1 14.0 17.4 44 66 A A E -DH 11 52B 0 8,-2.8 7,-2.4 -2,-0.4 8,-1.3 -0.862 11.8-169.5-104.3 138.5 15.3 15.5 14.7 45 67 A R E -DH 10 50B 49 -35,-1.9 -35,-2.1 -2,-0.4 2,-0.5 -0.962 11.4-161.8-128.6 143.2 14.9 14.5 11.0 46 80 A I E > S- H 0 49B 24 3,-2.6 3,-2.3 -2,-0.4 -37,-0.1 -1.000 83.4 -13.1-125.3 121.2 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 0.874 131.2 -53.2 53.5 48.5 15.3 14.7 4.6 48 82 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.285 115.6 112.4 70.5 -2.9 12.5 12.9 6.3 49 83 A A E < S-H 46 0B 55 -3,-2.3 -3,-2.6 1,-0.0 2,-0.2 -0.812 73.5-112.9-105.4 141.0 14.7 10.4 8.2 50 84 A V E +H 45 0B 74 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.531 38.7 168.9 -65.3 127.0 15.2 10.2 11.9 51 85 A V E - 0 0 1 -7,-2.4 19,-2.3 1,-0.4 2,-0.3 0.597 55.6 -58.2-116.7 -21.1 18.8 11.2 12.7 52 86 A G E -HI 44 69B 5 -8,-1.3 -8,-2.8 17,-0.3 -1,-0.4 -0.976 50.8 -90.0 169.2-164.5 18.7 11.6 16.5 53 87 A T E -HI 43 68B 52 15,-1.9 15,-2.7 -2,-0.3 2,-0.3 -0.962 42.8 -88.6-141.5 159.7 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.2 -13,-3.1 -15,-0.3 13,-0.3 -0.575 36.6-174.1 -65.3 126.1 17.7 16.6 21.5 55 89 A A E - 0 0 36 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.720 63.7 -16.7 -96.4 -26.2 20.1 15.6 24.4 56 90 A A E + I 0 66B 19 10,-1.2 10,-1.7 -17,-0.1 -1,-0.4 -0.950 60.8 178.3-167.6 154.4 20.1 18.8 26.3 57 91 A R E - I 0 65B 75 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.952 18.3-151.5-158.8 163.3 19.2 22.5 25.8 58 93 A V E - I 0 64B 37 6,-2.4 6,-2.1 -2,-0.3 -23,-0.4 -0.957 26.9-178.8-135.2 117.4 19.1 25.8 27.7 59 94 A F + 0 0 26 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.786 54.9 15.7-168.0 132.2 16.5 28.3 26.5 60 99AA P S S+ 0 0 48 0, 0.0 2,-1.3 0, 0.0 68,-0.2 0.616 121.4 42.9 -81.1-155.6 15.8 31.1 27.4 61 100 A G B S+j 128 0C 33 66,-2.4 68,-2.6 -2,-0.2 2,-0.2 -0.606 136.3 10.1 94.3 -68.6 18.6 32.6 29.6 62 101 A N S S- 0 0 52 -2,-1.3 2,-0.1 66,-0.2 68,-0.1 -0.583 79.0-136.4-119.0-174.4 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 -0.559 52.7 119.3-151.9 81.6 20.0 29.6 23.6 64 103 A R E + I 0 58B 19 -6,-2.1 -6,-2.4 -30,-0.3 2,-0.3 -0.970 24.2 161.5-146.5 157.0 21.9 26.3 23.0 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.3 -2,-0.3 2,-0.4 -0.962 21.0-147.0-164.8 164.1 21.4 22.6 22.5 66 105 A W E -GI 32 56B 7 -10,-1.7 -11,-2.8 -2,-0.3 -10,-1.2 -0.991 12.6-148.4-138.2 144.3 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.6 -36,-1.4 -2,-0.4 2,-0.4 -0.968 14.0-137.8-109.6 126.0 21.3 16.6 19.4 68 107 A S E -GI 30 53B 28 -15,-2.7 -15,-1.9 -2,-0.5 -38,-0.3 -0.778 25.6-150.8 -89.4 135.8 22.8 13.1 19.9 69 108 A L E - I 0 52B 15 -40,-2.8 -40,-0.5 -2,-0.4 -17,-0.3 -0.601 16.2-103.1-100.7 165.0 22.8 11.2 16.6 70 109 A T > - 0 0 67 -19,-2.3 3,-1.8 -2,-0.2 -1,-0.1 -0.356 39.3-107.8 -77.5 163.4 22.6 7.6 15.7 71 110 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.641 113.1 71.6 -65.7 -22.6 25.8 5.9 14.7 72 111 A A T 3 S+ 0 0 78 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.498 77.9 98.8 -74.2 -7.1 24.7 5.7 11.1 73 112 A Q S < S- 0 0 12 -3,-1.8 2,-0.6 -22,-0.2 -71,-0.2 -0.411 70.2-134.5 -78.2 151.5 25.2 9.5 10.6 74 113 A T E -a 2 0A 63 -73,-2.5 -71,-3.9 -2,-0.1 2,-0.4 -0.945 14.4-151.6-110.4 112.7 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 -0.691 15.9-172.2 -82.1 134.3 29.9 13.8 10.8 76 115 A L E - 0 0 35 -73,-1.8 2,-1.6 -2,-0.4 -54,-0.5 -0.961 31.4-130.5-129.3 148.1 31.8 16.3 8.6 77 116 A P E S+ 0 0 18 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.385 74.5 106.0 -84.8 53.0 34.0 19.2 9.5 78 117 A R E - B 0 87A 92 -2,-1.6 -73,-3.2 -75,-0.3 2,-0.4 -0.958 55.0-152.7-141.5 155.3 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-2.1 7,-2.4 -2,-0.3 -73,-0.2 -0.993 35.3-111.0-122.0 136.0 29.7 24.3 6.7 80 119 A A E + B 0 85A 19 -75,-3.3 2,-0.3 -2,-0.4 5,-0.2 -0.400 32.8 174.9 -70.8 139.2 27.6 24.8 3.6 81 120 A N E > - 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