==== 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 10-NOV-08 3F7O . COMPND 2 MOLECULE: SERINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAECILOMYCES LILACINUS; . AUTHOR L.LIANG,Z.LOU,Z.MENG,Z.RAO,K.ZHANG . 576 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 7.6 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 44 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 0 0 2 2 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 2 6 2 2 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 6 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 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 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 1 A A 0 0 82 0, 0.0 28,-4.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 87.3 3.7 -6.9 18.8 2 2 A Y E +A 28 0A 94 26,-0.3 26,-0.3 27,-0.1 2,-0.2 -0.723 360.0 169.5 -87.1 126.7 6.6 -8.6 20.5 3 3 A T E -A 27 0A 68 24,-2.5 24,-1.6 -2,-0.5 2,-0.3 -0.586 22.0-134.7-117.4-177.0 6.3 -12.4 20.8 4 4 A Q E -A 26 0A 110 22,-0.2 22,-0.2 -2,-0.2 20,-0.0 -0.999 3.6-145.4-144.9 146.1 9.1 -14.7 22.0 5 5 A Q E > -A 25 0A 28 20,-2.6 20,-2.4 -2,-0.3 3,-0.5 -0.910 20.7-151.4-120.3 107.4 10.4 -18.0 20.8 6 6 A P T 3 S+ 0 0 93 0, 0.0 18,-0.2 0, 0.0 -2,-0.0 -0.429 77.8 22.4 -70.1 138.3 11.7 -20.3 23.6 7 7 A G T 3 S+ 0 0 64 16,-0.2 17,-0.2 1,-0.2 3,-0.1 0.874 86.9 160.2 68.6 36.1 14.4 -22.8 23.0 8 8 A A < - 0 0 7 15,-2.9 -1,-0.2 -3,-0.5 5,-0.2 -0.596 53.9 -80.0 -89.0 151.8 15.7 -20.8 20.0 9 9 A P >> - 0 0 24 0, 0.0 3,-3.1 0, 0.0 4,-1.1 -0.253 47.1-112.3 -52.6 131.7 19.3 -21.3 18.7 10 10 A W H 3> S+ 0 0 55 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.761 114.4 66.7 -35.6 -38.5 21.6 -19.3 21.0 11 11 A G H 3> S+ 0 0 4 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.801 101.6 45.9 -57.4 -32.7 22.4 -16.9 18.1 12 12 A L H <> S+ 0 0 1 -3,-3.1 4,-0.8 2,-0.2 14,-0.3 0.802 112.6 50.3 -81.0 -30.8 18.8 -15.6 18.1 13 13 A G H < S+ 0 0 0 -4,-1.1 9,-0.2 1,-0.2 3,-0.2 0.809 106.9 56.8 -74.5 -28.9 18.8 -15.2 21.9 14 14 A R H < S+ 0 0 4 -4,-2.3 3,-0.4 -5,-0.3 -1,-0.2 0.792 106.3 49.4 -72.1 -27.7 22.1 -13.4 21.6 15 15 A I H < S+ 0 0 0 -4,-0.8 264,-2.6 1,-0.2 265,-0.3 0.657 107.4 50.2 -88.1 -16.9 20.6 -10.8 19.3 16 16 A S S < S+ 0 0 0 -4,-0.8 2,-0.3 262,-0.2 -1,-0.2 0.250 109.9 56.3-103.7 14.3 17.5 -9.8 21.2 17 17 A H - 0 0 24 -3,-0.4 244,-0.1 -4,-0.2 267,-0.1 -0.988 67.7-142.5-143.6 148.8 19.3 -9.2 24.5 18 18 A R S S+ 0 0 94 266,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.870 90.3 55.5 -79.9 -37.2 22.2 -7.1 25.7 19 19 A S S > S- 0 0 99 1,-0.1 3,-0.5 265,-0.0 245,-0.0 -0.748 89.2-115.9 -99.1 146.4 23.6 -9.8 28.0 20 20 A K T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.231 81.6 62.8 -75.0 164.4 24.5 -13.3 26.9 21 21 A G T 3 + 0 0 68 1,-0.3 -1,-0.2 167,-0.2 -7,-0.1 0.064 62.2 131.4 113.1 -25.6 22.9 -16.5 28.0 22 22 A S < - 0 0 31 -3,-0.5 -1,-0.3 -9,-0.2 -9,-0.2 -0.319 34.2-172.6 -66.4 142.2 19.3 -16.2 26.8 23 23 A T + 0 0 85 -10,-0.1 -15,-2.9 -11,-0.1 2,-0.5 0.327 64.5 91.7-110.9 -0.6 17.6 -19.1 24.9 24 24 A T - 0 0 31 -18,-0.2 2,-0.7 -17,-0.2 -8,-0.2 -0.847 65.0-151.8 -99.9 131.1 14.5 -17.0 24.2 25 25 A Y E -A 5 0A 0 -20,-2.4 -20,-2.6 -2,-0.5 2,-0.5 -0.899 14.6-166.4-103.4 110.9 14.4 -15.0 21.0 26 26 A E E +A 4 0A 34 -2,-0.7 2,-0.3 -14,-0.3 -22,-0.2 -0.865 22.3 141.3-103.9 129.5 12.2 -11.9 21.4 27 27 A Y E -A 3 0A 31 -24,-1.6 -24,-2.5 -2,-0.5 2,-0.3 -0.979 52.5 -83.8-157.8 165.3 11.1 -9.9 18.4 28 28 A D E > -A 2 0A 17 -2,-0.3 3,-1.9 -26,-0.3 -26,-0.3 -0.583 38.2-124.7 -80.3 139.0 8.2 -8.0 16.8 29 29 A T T 3 S+ 0 0 54 -28,-4.2 -1,-0.1 -2,-0.3 -27,-0.1 0.819 102.9 75.1 -49.2 -41.7 5.6 -10.1 15.0 30 30 A S T > S- 0 0 21 -29,-0.1 3,-1.5 1,-0.1 -1,-0.3 0.833 77.8-173.5 -43.0 -34.8 5.9 -8.2 11.7 31 31 A G T < - 0 0 1 -3,-1.9 59,-2.3 1,-0.3 60,-0.4 0.801 64.9 -51.5 39.1 53.1 9.2 -10.1 11.4 32 32 A G T > S+ 0 0 0 207,-0.6 3,-1.0 1,-0.2 2,-0.3 0.761 88.7 164.6 62.7 27.5 10.5 -8.5 8.3 33 33 A S T < + 0 0 38 -3,-1.5 -1,-0.2 1,-0.2 58,-0.2 -0.585 61.3 34.4 -79.9 137.2 7.4 -9.1 6.4 34 34 A G T 3 S+ 0 0 22 1,-0.5 94,-2.7 56,-0.4 95,-0.5 0.357 102.3 108.3 98.7 -0.5 7.0 -7.1 3.1 35 35 A T < - 0 0 2 -3,-1.0 57,-1.4 93,-0.2 -1,-0.5 -0.685 59.5-144.0-106.3 157.7 10.8 -7.4 2.8 36 36 A a E -bc 92 130B 0 93,-2.5 95,-3.4 -2,-0.2 2,-0.5 -0.986 8.6-163.2-127.9 136.6 12.8 -9.5 0.3 37 37 A A E -bc 93 131B 0 55,-2.7 57,-2.4 -2,-0.4 2,-0.6 -0.971 4.6-156.3-125.5 121.7 16.1 -11.3 1.0 38 38 A Y E -bc 94 132B 0 93,-2.2 95,-3.4 -2,-0.5 2,-0.8 -0.854 3.1-159.5 -98.7 123.5 18.5 -12.6 -1.7 39 39 A V E -bc 95 133B 0 55,-2.4 57,-2.1 -2,-0.6 2,-1.0 -0.869 4.3-166.6-106.0 103.7 20.9 -15.4 -0.8 40 40 A I E +b 96 0B 0 93,-2.5 95,-0.4 -2,-0.8 57,-0.2 -0.780 50.0 87.2 -92.4 99.5 23.8 -15.5 -3.2 41 41 A D E S-b 97 0B 0 55,-1.3 57,-2.5 -2,-1.0 58,-1.6 -0.572 98.2 -34.7-157.2-139.0 25.4 -18.8 -2.6 42 42 A T S S- 0 0 0 1,-0.4 27,-0.3 55,-0.2 55,-0.2 0.384 101.6 -88.8 -84.5 4.8 25.2 -22.4 -3.7 43 43 A G - 0 0 0 53,-0.3 2,-0.4 -4,-0.2 -1,-0.4 -0.496 42.1 -93.3 111.0 174.1 21.5 -22.0 -4.0 44 44 A V - 0 0 4 -2,-0.2 2,-1.7 29,-0.1 24,-0.2 -0.998 21.0-128.3-132.8 132.0 18.6 -22.5 -1.5 45 45 A E > + 0 0 40 -2,-0.4 3,-1.4 1,-0.2 6,-0.1 -0.590 31.8 178.6 -79.9 86.2 16.5 -25.7 -0.9 46 46 A A T 3 S+ 0 0 30 -2,-1.7 7,-0.4 1,-0.3 9,-0.3 0.867 70.0 66.8 -52.4 -49.8 13.1 -24.0 -1.3 47 47 A S T 3 S+ 0 0 106 -3,-0.2 -1,-0.3 5,-0.1 5,-0.1 0.707 74.8 119.8 -49.7 -23.2 11.0 -27.2 -0.8 48 48 A H X - 0 0 9 -3,-1.4 3,-1.8 1,-0.1 5,-0.4 -0.203 67.5-136.1 -51.6 127.7 12.3 -27.3 2.8 49 49 A P G > S+ 0 0 100 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.693 97.7 70.8 -59.2 -22.0 9.4 -27.0 5.4 50 50 A E G 3 S+ 0 0 30 1,-0.2 33,-3.0 32,-0.1 35,-0.1 0.680 92.8 57.8 -71.6 -14.3 11.3 -24.5 7.5 51 51 A F G X S- 0 0 0 -3,-1.8 3,-3.2 -5,-0.2 -1,-0.2 0.443 94.1-144.2 -94.9 0.1 10.8 -21.9 4.8 52 52 A E T < - 0 0 103 -3,-1.2 -2,-0.1 1,-0.3 -5,-0.1 0.769 67.0 -56.1 41.0 41.7 7.0 -22.2 4.9 53 53 A G T 3 S+ 0 0 75 -5,-0.4 -1,-0.3 -7,-0.4 -6,-0.1 0.402 117.5 109.8 76.8 -0.8 6.7 -21.6 1.2 54 54 A R < + 0 0 37 -3,-3.2 39,-3.1 27,-0.1 2,-0.4 0.398 61.1 75.6 -87.7 1.3 8.5 -18.3 1.4 55 55 A A E +d 93 0B 8 -9,-0.3 2,-0.3 37,-0.2 39,-0.2 -0.911 49.4 169.5-116.6 141.8 11.7 -19.4 -0.3 56 56 A S E -d 94 0B 45 37,-2.1 39,-1.7 -2,-0.4 2,-0.8 -0.960 28.0-141.2-147.0 129.5 12.1 -20.0 -4.0 57 57 A Q E +d 95 0B 43 -2,-0.3 39,-0.1 37,-0.2 37,-0.1 -0.891 31.0 170.4 -95.6 115.4 15.4 -20.6 -5.7 58 58 A I E + 0 0 48 37,-1.4 2,-0.3 -2,-0.8 38,-0.2 0.572 44.0 29.0-108.0 -12.9 15.1 -18.6 -8.9 59 59 A K E -d 96 0B 81 36,-1.5 38,-2.9 7,-0.0 2,-0.3 -0.999 46.4-172.7-154.5 151.0 18.5 -18.3 -10.8 60 60 A S E -d 97 0B 17 -2,-0.3 38,-0.2 36,-0.2 6,-0.1 -1.000 16.9-171.5-143.4 143.0 21.8 -20.0 -11.4 61 61 A F + 0 0 71 36,-2.4 2,-0.7 -2,-0.3 37,-0.1 0.114 65.9 100.6-115.4 16.1 24.9 -19.1 -13.2 62 62 A I S > S- 0 0 20 3,-0.4 3,-2.4 35,-0.3 37,-0.1 -0.916 83.4-114.3-111.3 108.8 26.3 -22.6 -12.9 63 63 A S T 3 S- 0 0 118 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.1 0.448 93.1 -11.0 8.4 -92.1 26.0 -24.7 -16.1 64 64 A G T 3 S+ 0 0 64 -3,-0.1 2,-0.5 3,-0.0 -1,-0.3 -0.189 107.9 103.5-124.9 38.1 23.6 -27.5 -15.3 65 65 A Q < + 0 0 54 -3,-2.4 -3,-0.4 1,-0.1 -4,-0.1 -0.930 30.0 157.1-121.1 98.6 23.4 -27.1 -11.6 66 66 A N + 0 0 105 -2,-0.5 2,-0.3 -5,-0.1 -1,-0.1 0.035 57.0 66.4-112.2 28.4 20.1 -25.5 -10.7 67 67 A T S S- 0 0 91 -24,-0.1 2,-1.0 -25,-0.1 -22,-0.1 -0.993 86.1-107.2-148.1 149.8 19.9 -26.7 -7.2 68 68 A D + 0 0 7 -2,-0.3 -25,-0.1 -24,-0.2 32,-0.1 -0.689 46.1 156.2 -78.0 108.5 21.7 -26.4 -3.9 69 69 A G + 0 0 46 -2,-1.0 -1,-0.2 -27,-0.3 -26,-0.1 0.032 67.3 58.9-119.1 23.5 23.6 -29.7 -3.6 70 70 A N S S- 0 0 45 -28,-0.2 -2,-0.1 -27,-0.1 -27,-0.1 0.725 92.0-133.6-115.4 -54.1 26.2 -28.3 -1.2 71 71 A G S > S+ 0 0 0 -28,-0.1 4,-2.2 144,-0.1 5,-0.2 -0.025 75.4 101.0 123.1 -32.8 24.3 -27.0 1.8 72 72 A H H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 84.0 45.3 -51.6 -54.9 25.8 -23.5 2.4 73 73 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.805 115.0 47.4 -63.4 -34.3 23.1 -21.4 0.8 74 74 A T H > S+ 0 0 0 2,-0.2 4,-1.5 -3,-0.2 140,-0.3 0.826 110.5 51.9 -76.6 -34.7 20.2 -23.3 2.5 75 75 A H H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 139,-0.4 0.922 113.6 45.3 -65.1 -43.7 21.9 -23.1 5.8 76 76 A C H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.806 110.4 53.0 -68.0 -33.6 22.3 -19.4 5.3 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.784 104.5 57.4 -72.8 -28.7 18.7 -19.0 4.1 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-1.9 136,-0.2 -1,-0.2 0.855 106.1 48.3 -69.3 -35.5 17.5 -20.7 7.2 79 79 A T H < S+ 0 0 1 -4,-1.2 8,-2.4 7,-0.2 -1,-0.2 0.801 110.9 52.3 -74.6 -29.3 19.2 -18.2 9.5 80 80 A I H < S- 0 0 0 -4,-1.1 8,-2.6 6,-0.3 -2,-0.2 0.918 138.2 -18.9 -72.5 -45.2 17.7 -15.3 7.5 81 81 A G H < S+ 0 0 0 -4,-2.2 -3,-0.2 6,-0.2 -2,-0.2 0.367 82.5 135.3-154.7 20.9 14.1 -16.5 7.7 82 82 A S X - 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -31,-0.2 -0.433 62.0-112.9 -72.1 150.9 13.3 -20.1 8.5 83 83 A K T 4 S+ 0 0 116 -33,-3.0 -1,-0.1 1,-0.2 6,-0.1 0.898 109.3 20.3 -48.2 -52.7 10.5 -20.6 11.0 84 84 A T T 4 S+ 0 0 39 1,-0.1 -1,-0.2 -34,-0.1 -5,-0.0 0.805 135.0 31.6 -92.5 -32.3 12.7 -22.1 13.8 85 85 A Y T 4 S+ 0 0 37 -7,-0.2 2,-0.2 -35,-0.1 -2,-0.2 0.456 98.5 94.1-109.1 -1.4 16.2 -20.9 13.0 86 86 A G < - 0 0 0 -4,-2.0 3,-0.3 1,-0.1 -6,-0.3 -0.615 57.7-148.0-102.9 158.1 15.8 -17.6 11.3 87 87 A V S S+ 0 0 0 -8,-2.4 2,-1.3 144,-0.3 -6,-0.2 0.967 96.3 45.2 -76.8 -60.1 15.7 -13.9 12.3 88 88 A A S > S+ 0 0 0 -8,-2.6 3,-1.6 -9,-0.2 -1,-0.2 -0.649 70.3 177.1 -91.5 81.8 13.2 -12.5 9.8 89 89 A K T 3 S+ 0 0 21 -2,-1.3 -1,-0.2 -3,-0.3 -57,-0.1 0.529 76.3 44.1 -67.1 -9.5 10.5 -15.2 10.1 90 90 A K T 3 S+ 0 0 101 -59,-2.3 -56,-0.4 -60,-0.1 -1,-0.3 0.315 90.3 118.3-114.8 6.7 7.9 -13.5 7.7 91 91 A T < - 0 0 0 -3,-1.6 2,-0.5 -60,-0.4 -55,-0.2 -0.204 64.4-119.9 -72.6 161.7 10.5 -12.6 5.0 92 92 A K E -b 36 0B 90 -57,-1.4 -55,-2.7 -60,-0.3 2,-0.4 -0.917 26.9-149.6-107.0 121.5 10.6 -13.8 1.4 93 93 A I E -bd 37 55B 0 -39,-3.1 -37,-2.1 -2,-0.5 2,-0.4 -0.763 13.6-175.3 -98.6 134.0 13.7 -15.7 0.3 94 94 A Y E -bd 38 56B 15 -57,-2.4 -55,-2.4 -2,-0.4 2,-0.4 -0.980 12.5-150.3-128.2 121.0 15.2 -15.8 -3.2 95 95 A G E -bd 39 57B 0 -39,-1.7 -36,-1.5 -2,-0.4 -37,-1.4 -0.718 12.6-177.0 -95.8 138.4 18.2 -18.0 -4.1 96 96 A V E -bd 40 59B 0 -57,-2.1 -55,-1.3 -2,-0.4 2,-0.8 -0.955 20.3-144.7-133.1 110.0 20.7 -17.2 -6.8 97 97 A K E +bd 41 60B 0 -38,-2.9 -36,-2.4 -2,-0.4 -35,-0.3 -0.669 37.7 150.5 -82.5 110.2 23.3 -19.9 -7.2 98 98 A V + 0 0 2 -57,-2.5 2,-0.4 -2,-0.8 8,-0.2 0.431 61.7 64.0-116.3 -4.9 26.7 -18.4 -8.1 99 99 A L S S- 0 0 0 -58,-1.6 6,-0.3 6,-0.1 -1,-0.1 -0.985 82.3-129.5-120.4 127.9 28.8 -21.1 -6.5 100 100 A D > - 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