==== 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 25-FEB-04 1SH7 . COMPND 2 MOLECULE: EXTRACELLULAR SUBTILISIN-LIKE SERINE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO SP. PA-44; . AUTHOR J.ARNORSDOTTIR,M.M.KRISTJANSSON,R.FICNER . 555 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 36 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 2 4 4 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 . 8 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 Q 0 0 184 0, 0.0 21,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -83.7 -23.0 -4.5 41.7 2 2 A S B +A 21 0A 68 19,-0.2 19,-0.2 1,-0.2 3,-0.1 -0.694 360.0 44.0-110.1 172.6 -24.2 -8.1 41.8 3 3 A N S S+ 0 0 139 17,-0.7 18,-0.2 -2,-0.2 -1,-0.2 0.774 89.1 177.0 58.4 27.0 -22.0 -11.2 41.5 4 4 A A - 0 0 19 16,-1.8 -1,-0.2 -3,-0.3 79,-0.1 -0.319 32.6-113.3 -69.2 142.3 -19.9 -9.1 44.0 5 5 A I > - 0 0 37 77,-0.3 4,-2.4 -3,-0.1 3,-0.2 -0.358 36.9-102.5 -71.5 160.0 -16.7 -10.6 45.4 6 6 A W H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.773 113.4 55.4 -67.3 -34.5 -16.9 -11.3 49.1 7 7 A G H > S+ 0 0 1 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.948 115.2 39.7 -62.3 -48.0 -14.9 -8.4 50.5 8 8 A L H > S+ 0 0 2 -3,-0.2 4,-0.7 1,-0.2 3,-0.4 0.920 114.9 55.0 -63.6 -44.7 -17.0 -5.8 48.8 9 9 A D H < S+ 0 0 3 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.877 108.8 49.1 -54.8 -43.2 -20.1 -7.9 49.6 10 10 A R H >< S+ 0 0 1 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.812 101.4 59.3 -67.8 -34.5 -19.3 -7.9 53.3 11 11 A I H 3< S+ 0 0 0 -4,-1.3 260,-2.6 -3,-0.4 261,-0.4 0.625 96.6 59.3 -86.0 -11.7 -18.6 -4.2 53.9 12 12 A D T 3< S+ 0 0 10 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.3 0.138 105.7 54.1 -95.3 17.6 -22.1 -2.9 52.9 13 13 A Q < - 0 0 27 -3,-1.1 241,-0.1 1,-0.1 258,-0.1 -0.983 68.8-138.2-152.2 154.3 -24.0 -5.0 55.5 14 14 A R S S+ 0 0 49 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.898 80.0 27.8 -79.7 -45.7 -23.9 -5.6 59.2 15 15 A N S S- 0 0 89 2,-0.1 -1,-0.1 239,-0.0 242,-0.0 -0.794 81.7 -78.7-125.3 156.4 -24.4 -9.4 59.5 16 16 A L S S+ 0 0 66 -2,-0.3 2,-0.1 241,-0.1 166,-0.0 -0.531 78.9 81.8 -75.4 159.3 -23.8 -12.6 57.7 17 17 A P S S- 0 0 112 0, 0.0 -2,-0.1 0, 0.0 165,-0.1 0.470 75.4-128.2 -79.5 159.8 -24.9 -14.2 55.5 18 18 A L - 0 0 53 163,-0.2 -8,-0.1 -2,-0.1 -2,-0.1 -0.302 11.6-156.8 -59.7 148.8 -23.4 -12.5 52.4 19 19 A D - 0 0 67 2,-0.3 -1,-0.1 -10,-0.2 3,-0.1 0.292 35.8-116.6-116.4 11.5 -26.0 -11.5 49.8 20 20 A R S S+ 0 0 160 1,-0.2 -16,-1.8 -18,-0.1 -17,-0.7 0.669 81.1 110.3 61.6 21.5 -23.7 -11.3 46.8 21 21 A N B -A 2 0A 55 -19,-0.2 2,-0.5 -18,-0.2 -2,-0.3 -0.964 51.9-162.4-127.9 140.1 -24.4 -7.6 46.4 22 22 A Y - 0 0 9 -21,-2.2 2,-0.3 -2,-0.4 -13,-0.1 -0.964 18.4-168.7-118.8 111.0 -22.2 -4.5 47.0 23 23 A N - 0 0 90 -2,-0.5 2,-0.3 -15,-0.2 248,-0.1 -0.761 7.0-179.6 -98.6 142.2 -24.4 -1.4 47.3 24 24 A A - 0 0 51 -2,-0.3 3,-0.1 1,-0.1 248,-0.1 -0.999 29.4-170.7-146.6 143.8 -22.9 2.0 47.3 25 25 A N S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.461 84.6 31.8-104.1 -11.9 -24.2 5.6 47.5 26 26 A F - 0 0 68 1,-0.0 61,-0.2 2,-0.0 206,-0.1 -0.903 56.1-163.8-140.0 164.3 -20.9 7.2 46.6 27 27 A D - 0 0 49 -2,-0.3 61,-2.8 59,-0.2 62,-0.3 0.296 54.3 -95.4-138.3 9.7 -18.0 6.2 44.3 28 28 A G > + 0 0 0 1,-0.2 3,-2.3 203,-0.2 62,-0.5 0.518 60.8 168.8 88.3 5.2 -15.0 8.4 45.3 29 29 A F T 3 S+ 0 0 142 1,-0.3 -1,-0.2 60,-0.2 60,-0.2 -0.251 70.7 14.0 -51.1 128.9 -15.7 11.0 42.6 30 30 A G T 3 S+ 0 0 35 58,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.601 107.5 106.9 77.7 11.6 -13.5 14.0 43.2 31 31 A V < - 0 0 0 -3,-2.3 59,-2.5 57,-0.2 2,-0.4 -0.858 56.4-148.5-120.8 150.8 -11.3 12.1 45.7 32 32 A T E -bc 90 123B 21 90,-2.0 92,-2.0 -2,-0.3 2,-0.5 -0.990 1.9-157.0-125.4 132.1 -7.7 10.9 45.2 33 33 A A E -bc 91 124B 1 57,-3.1 59,-2.3 -2,-0.4 2,-0.6 -0.957 9.5-150.4-108.2 125.6 -6.1 7.8 46.8 34 34 A Y E -bc 92 125B 12 90,-3.0 92,-3.0 -2,-0.5 2,-0.8 -0.867 9.1-155.3 -97.9 116.4 -2.4 7.8 47.1 35 35 A V E -bc 93 126B 0 57,-2.8 59,-2.6 -2,-0.6 2,-0.9 -0.854 5.5-166.5-102.1 105.5 -1.1 4.3 46.9 36 36 A I E +bc 94 127B 0 90,-2.7 92,-0.6 -2,-0.8 2,-0.2 -0.831 52.7 83.6 -97.0 103.1 2.3 4.0 48.6 37 37 A D E S-b 95 0B 0 57,-1.8 59,-2.7 -2,-0.9 60,-1.6 -0.638 96.9 -33.7-168.3-147.2 3.5 0.6 47.5 38 38 A T S S- 0 0 2 1,-0.4 29,-0.7 57,-0.2 30,-0.2 0.290 97.6 -90.4 -85.1 7.3 5.3 -1.2 44.6 39 39 A G - 0 0 0 55,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.513 41.0 -97.7 107.6 178.8 3.7 1.1 42.0 40 40 A V - 0 0 0 24,-2.3 2,-1.2 -2,-0.2 53,-0.1 -0.995 20.6-124.0-138.6 135.7 0.4 0.9 40.1 41 41 A N > - 0 0 25 -2,-0.3 3,-1.6 24,-0.2 24,-0.1 -0.695 27.2-168.2 -73.8 95.3 -0.1 -0.4 36.5 42 42 A N T 3 S+ 0 0 26 -2,-1.2 7,-0.4 1,-0.3 9,-0.4 0.781 81.8 57.6 -60.1 -26.3 -1.9 2.8 35.2 43 43 A N T 3 S+ 0 0 148 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.444 74.8 126.4 -86.6 0.1 -3.0 1.0 32.1 44 44 A H X> - 0 0 4 -3,-1.6 3,-1.7 1,-0.1 4,-0.6 -0.309 67.0-127.2 -60.4 140.7 -4.9 -1.8 33.9 45 45 A E T 34 S+ 0 0 132 166,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.740 102.8 71.0 -63.9 -23.3 -8.5 -2.0 32.6 46 46 A E T 34 S+ 0 0 3 1,-0.2 35,-2.1 34,-0.1 -1,-0.3 0.751 97.3 50.0 -63.9 -24.4 -9.9 -1.7 36.1 47 47 A F T X4 S- 0 0 0 -3,-1.7 3,-2.2 33,-0.2 -1,-0.2 0.719 83.3-154.2 -93.0 -19.4 -8.9 1.9 36.3 48 48 A G T 3< S- 0 0 66 -4,-0.6 -3,-0.1 -3,-0.4 -5,-0.1 0.882 77.1 -47.8 48.4 43.6 -10.4 3.2 33.1 49 49 A G T 3 S+ 0 0 65 -7,-0.4 -1,-0.3 -5,-0.4 -4,-0.1 0.352 114.4 112.5 81.5 -3.7 -7.9 6.0 33.0 50 50 A R < + 0 0 34 -3,-2.2 41,-2.8 29,-0.1 2,-0.5 0.530 60.4 82.0 -80.7 -8.9 -8.3 7.1 36.6 51 51 A S E +d 91 0B 6 -9,-0.4 2,-0.3 39,-0.2 41,-0.2 -0.863 54.1 166.2 -96.9 132.6 -4.8 6.0 37.6 52 52 A V E -d 92 0B 80 39,-2.0 41,-2.1 -2,-0.5 2,-0.1 -0.936 39.7 -94.4-134.7 161.9 -1.7 8.2 36.9 53 53 A S E -d 93 0B 36 -2,-0.3 41,-0.1 39,-0.2 10,-0.1 -0.440 31.5-179.2 -72.5 147.9 1.9 8.1 38.1 54 54 A G E - 0 0 17 39,-1.6 2,-0.3 1,-0.2 40,-0.2 0.683 59.2 -46.1-105.1 -83.2 2.9 10.1 41.2 55 55 A Y E -d 94 0B 71 38,-1.1 40,-1.9 9,-0.1 2,-0.6 -0.979 41.1-134.8-151.3 151.7 6.6 9.6 41.7 56 56 A D E >> +dE 95 61B 3 5,-2.6 5,-1.4 -2,-0.3 4,-0.9 -0.890 21.3 174.7-108.9 102.1 9.0 6.6 41.8 57 57 A F T 45S+ 0 0 38 38,-2.2 39,-0.2 -2,-0.6 -1,-0.1 0.447 75.7 65.1 -85.3 -5.1 11.4 6.8 44.8 58 58 A V T 45S+ 0 0 48 37,-0.6 -1,-0.2 39,-0.1 38,-0.1 0.898 124.1 13.2 -77.1 -50.7 12.9 3.3 44.1 59 59 A D T 45S- 0 0 101 36,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.378 101.7-120.7-107.9 5.2 14.4 4.4 40.8 60 60 A N T <5S+ 0 0 110 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.969 70.5 119.3 47.4 66.6 14.1 8.2 41.1 61 61 A D B S+ 0 0 0 -31,-0.1 4,-2.4 139,-0.1 5,-0.2 -0.169 82.5 93.4 121.6 -33.6 1.7 -6.8 41.5 70 70 A H H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 85.6 49.1 -59.5 -51.4 1.0 -5.9 45.1 71 71 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 113.2 47.0 -55.7 -44.2 0.6 -2.1 44.5 72 72 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 135,-0.3 0.882 111.9 50.8 -65.1 -40.4 -1.7 -2.7 41.5 73 73 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 134,-0.3 0.931 112.0 47.2 -66.4 -43.4 -3.8 -5.2 43.5 74 74 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.3 0.930 112.4 49.3 -62.1 -47.8 -4.1 -2.8 46.4 75 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.880 108.5 55.0 -61.6 -36.9 -5.1 0.1 44.1 76 76 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.848 104.5 52.1 -62.5 -38.0 -7.6 -2.2 42.4 77 77 A T H < S+ 0 0 1 -4,-1.6 8,-2.4 -3,-0.3 9,-0.2 0.905 115.2 43.0 -68.6 -35.0 -9.3 -2.9 45.8 78 78 A I H < S+ 0 0 0 -4,-1.9 8,-2.8 6,-0.2 -2,-0.2 0.958 139.2 0.5 -68.0 -48.6 -9.6 0.9 46.4 79 79 A G H < S+ 0 0 0 -4,-2.8 -3,-0.2 6,-0.2 -2,-0.2 0.349 82.7 130.8-136.2 3.3 -10.7 1.9 43.0 80 80 A G X - 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -33,-0.2 -0.369 55.7-128.9 -65.2 142.3 -11.1 -0.9 40.4 81 81 A S T 4 S+ 0 0 68 -35,-2.1 -1,-0.1 2,-0.2 6,-0.1 0.913 103.6 23.5 -56.1 -48.5 -14.4 -0.9 38.4 82 82 A Q T 4 S+ 0 0 108 1,-0.1 -77,-0.3 -78,-0.0 -1,-0.2 0.877 138.2 26.0 -87.0 -41.4 -15.2 -4.6 39.0 83 83 A Y T 4 S+ 0 0 32 -7,-0.1 2,-0.2 -79,-0.1 -2,-0.2 0.251 100.1 96.0-115.7 15.5 -13.3 -5.3 42.2 84 84 A G < - 0 0 0 -4,-1.7 -6,-0.2 -5,-0.1 3,-0.2 -0.684 62.9-137.3-112.1 163.2 -13.0 -1.9 44.0 85 85 A V S S+ 0 0 2 -8,-2.4 2,-0.7 1,-0.2 -6,-0.2 0.868 99.8 38.1 -77.4 -45.0 -14.8 -0.1 46.7 86 86 A A S > S- 0 0 0 -8,-2.8 3,-1.5 -9,-0.2 -1,-0.2 -0.878 72.8-170.7-118.9 92.6 -14.8 3.5 45.2 87 87 A K T 3 S+ 0 0 45 -2,-0.7 -59,-0.1 1,-0.3 -1,-0.1 0.511 80.2 38.2 -78.9 -4.9 -15.4 2.9 41.6 88 88 A N T 3 S+ 0 0 74 -61,-2.8 -58,-0.4 -8,-0.1 -1,-0.3 0.095 85.1 128.7-126.5 26.2 -14.7 6.5 40.3 89 89 A V < - 0 0 0 -3,-1.5 2,-0.4 -62,-0.3 -57,-0.2 -0.350 60.7-115.5 -74.8 154.1 -11.9 7.5 42.6 90 90 A N E -b 32 0B 64 -59,-2.5 -57,-3.1 -62,-0.5 2,-0.4 -0.784 28.9-154.1 -85.9 140.2 -8.6 8.9 41.3 91 91 A I E -bd 33 51B 1 -41,-2.8 -39,-2.0 -2,-0.4 2,-0.4 -0.963 10.1-171.0-118.4 135.4 -5.5 6.8 41.9 92 92 A V E -bd 34 52B 16 -59,-2.3 -57,-2.8 -2,-0.4 2,-0.4 -0.997 18.8-136.1-125.8 126.0 -1.9 8.1 42.2 93 93 A G E -bd 35 53B 0 -41,-2.1 -39,-1.6 -2,-0.4 -38,-1.1 -0.665 19.1-178.4 -82.2 125.6 1.0 5.7 42.3 94 94 A V E -bd 36 55B 0 -59,-2.6 -57,-1.8 -2,-0.4 2,-0.8 -0.876 17.4-156.6-122.3 91.4 3.8 6.4 44.9 95 95 A R E +bd 37 56B 9 -40,-1.9 -38,-2.2 -2,-0.5 -37,-0.6 -0.623 37.3 142.6 -80.6 110.9 6.4 3.8 44.3 96 96 A V + 0 0 2 -59,-2.7 8,-0.5 -2,-0.8 2,-0.4 0.394 56.7 71.1-122.9 -1.8 8.6 3.1 47.3 97 97 A L B S-L 103 0C 17 -60,-1.6 6,-0.3 6,-0.2 -39,-0.1 -0.971 78.1-122.0-122.8 136.9 9.0 -0.7 47.0 98 98 A S > - 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