==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-04 1S2N . COMPND 2 MOLECULE: EXTRACELLULAR SUBTILISIN-LIKE SERINE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO SP. PA-44; . AUTHOR J.ARNORSDOTTIR,M.M.KRISTJANSSON,R.FICNER . 554 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.1 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 . 38 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 22.2 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 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 . 6 2 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 . 2 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 78 0, 0.0 3,-0.8 0, 0.0 21,-0.3 0.000 360.0 360.0 360.0 128.7 -19.6 -5.3 44.4 2 2 A S T 3 + 0 0 111 1,-0.3 19,-0.1 19,-0.1 0, 0.0 0.662 360.0 25.8 -70.4 -20.2 -21.3 -8.6 43.4 3 3 A N T 3 S+ 0 0 113 19,-0.1 -1,-0.3 2,-0.0 18,-0.2 -0.340 84.3 173.0-141.6 50.4 -18.2 -10.8 43.6 4 4 A A < - 0 0 1 16,-1.7 16,-0.1 -3,-0.8 79,-0.1 -0.376 34.5-115.9 -70.9 139.1 -15.9 -9.0 46.1 5 5 A I >> - 0 0 32 77,-0.3 4,-2.1 -2,-0.1 3,-0.5 -0.380 39.9-100.5 -65.7 157.6 -12.7 -10.5 47.4 6 6 A W H 3> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.754 113.5 54.9 -61.1 -36.2 -12.8 -11.2 51.1 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.881 113.4 40.0 -69.3 -43.1 -10.8 -8.3 52.5 8 8 A L H <> S+ 0 0 0 -3,-0.5 4,-0.6 1,-0.2 3,-0.2 0.906 114.5 56.7 -65.7 -43.8 -12.9 -5.5 50.9 9 9 A D H < S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.832 107.2 49.5 -54.3 -36.3 -15.9 -7.7 51.7 10 10 A R H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.850 101.3 58.7 -77.4 -37.2 -15.0 -7.7 55.4 11 11 A I H 3< S+ 0 0 0 -4,-1.2 260,-2.8 1,-0.2 261,-0.4 0.552 97.4 60.4 -78.9 -7.5 -14.4 -3.9 56.0 12 12 A D T 3< S+ 0 0 11 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.2 0.318 106.0 50.6 -98.5 6.5 -17.9 -2.7 55.0 13 13 A Q < - 0 0 26 -3,-1.2 241,-0.1 1,-0.1 3,-0.1 -0.930 69.1-136.0-141.0 164.2 -19.6 -4.8 57.7 14 14 A R S S+ 0 0 3 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.895 80.8 28.5 -86.3 -46.1 -19.5 -5.5 61.5 15 15 A N S S- 0 0 49 2,-0.1 -1,-0.1 239,-0.0 242,-0.0 -0.826 80.2 -81.5-123.5 155.0 -19.9 -9.3 61.6 16 16 A L S S+ 0 0 64 -2,-0.3 2,-0.1 166,-0.1 166,-0.0 -0.527 78.1 83.5 -68.4 152.6 -19.3 -12.5 59.8 17 17 A P S S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 165,-0.1 0.409 75.5-129.2 -85.0 159.0 -20.6 -14.1 57.7 18 18 A L - 0 0 56 163,-0.2 -8,-0.1 -2,-0.1 -2,-0.1 -0.278 12.0-157.9 -61.9 150.8 -19.2 -12.4 54.6 19 19 A D - 0 0 73 2,-0.3 -1,-0.1 -10,-0.2 3,-0.1 0.238 36.9-114.5-120.5 12.5 -21.9 -11.3 52.0 20 20 A R S S+ 0 0 130 1,-0.2 -16,-1.7 -17,-0.1 2,-0.4 0.682 80.7 114.0 61.1 22.1 -19.7 -11.1 48.8 21 21 A N - 0 0 59 -18,-0.2 2,-0.6 -12,-0.2 -2,-0.3 -0.968 50.7-163.4-124.9 136.8 -20.3 -7.3 48.7 22 22 A Y - 0 0 9 -2,-0.4 2,-0.3 -21,-0.3 -13,-0.1 -0.943 20.7-166.7-113.8 107.6 -18.1 -4.3 49.0 23 23 A N + 0 0 83 -2,-0.6 2,-0.3 -15,-0.2 248,-0.1 -0.720 8.2 179.3 -93.7 141.1 -20.3 -1.3 49.6 24 24 A A - 0 0 55 -2,-0.3 3,-0.1 1,-0.1 248,-0.1 -0.997 30.2-175.4-146.4 136.2 -18.9 2.3 49.3 25 25 A N S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.495 85.6 32.9 -98.8 -12.0 -20.3 5.8 49.7 26 26 A F - 0 0 69 1,-0.0 61,-0.3 2,-0.0 206,-0.1 -0.908 53.6-164.2-137.7 163.3 -16.9 7.3 48.7 27 27 A D - 0 0 53 -2,-0.3 61,-2.3 59,-0.2 62,-0.4 0.255 53.4-104.5-130.1 11.7 -14.0 6.4 46.3 28 28 A G > + 0 0 0 1,-0.2 3,-1.5 204,-0.2 62,-0.4 0.762 56.4 171.1 63.1 28.8 -11.3 8.7 47.6 29 29 A F T 3 + 0 0 138 1,-0.2 -1,-0.2 60,-0.2 60,-0.2 -0.521 66.5 26.0 -64.4 131.5 -11.6 11.1 44.6 30 30 A G T 3 S+ 0 0 36 58,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.444 104.4 97.9 92.4 2.2 -9.5 14.2 45.2 31 31 A V < - 0 0 0 -3,-1.5 59,-2.1 57,-0.2 2,-0.4 -0.831 60.0-143.5-118.9 161.4 -7.0 12.5 47.6 32 32 A T E -ab 90 123A 22 90,-1.9 92,-2.0 -2,-0.3 2,-0.6 -0.990 2.2-154.0-129.3 124.6 -3.6 11.1 46.9 33 33 A A E -ab 91 124A 0 57,-3.4 59,-2.2 -2,-0.4 2,-0.7 -0.897 10.3-151.7 -96.6 119.0 -2.0 8.0 48.5 34 34 A Y E -ab 92 125A 10 90,-2.6 92,-2.2 -2,-0.6 2,-0.8 -0.843 9.9-155.2 -89.6 113.6 1.8 8.0 48.6 35 35 A V E -ab 93 126A 0 57,-2.1 59,-2.3 -2,-0.7 2,-1.0 -0.807 5.7-165.8 -96.4 103.5 3.0 4.4 48.4 36 36 A I E +a 94 0A 0 90,-2.2 92,-0.4 -2,-0.8 59,-0.2 -0.770 52.1 87.3 -92.8 97.0 6.4 4.1 50.0 37 37 A D E S-a 95 0A 3 57,-1.4 59,-2.4 -2,-1.0 60,-1.6 -0.578 97.6 -36.3-160.8-147.6 7.5 0.7 48.9 38 38 A T S S- 0 0 2 1,-0.3 29,-0.7 57,-0.2 30,-0.2 0.329 97.6 -95.0 -81.1 10.5 9.3 -1.1 45.9 39 39 A G - 0 0 0 55,-0.3 -1,-0.3 -4,-0.2 2,-0.3 -0.545 42.0 -97.3 101.8-176.6 7.6 1.3 43.5 40 40 A V - 0 0 0 24,-2.1 2,-1.1 -2,-0.2 53,-0.1 -0.990 20.2-116.7-146.7 141.3 4.4 0.8 41.6 41 41 A N > - 0 0 2 -2,-0.3 3,-1.3 24,-0.2 6,-0.1 -0.659 27.7-170.0 -72.0 98.2 3.5 -0.2 38.0 42 42 A N T 3 S+ 0 0 25 -2,-1.1 9,-0.4 1,-0.2 7,-0.4 0.828 82.4 55.9 -60.2 -34.5 1.9 2.9 36.7 43 43 A N T 3 S+ 0 0 111 -3,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.473 76.2 127.2 -81.1 -3.0 0.6 1.2 33.6 44 44 A H X> - 0 0 5 -3,-1.3 3,-1.3 1,-0.1 4,-0.5 -0.260 66.0-128.9 -57.5 142.9 -1.3 -1.6 35.5 45 45 A E T 34 S+ 0 0 132 166,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.715 102.0 71.4 -68.6 -22.8 -4.9 -1.8 34.4 46 46 A E T 34 S+ 0 0 4 1,-0.2 35,-1.8 165,-0.1 -1,-0.3 0.680 98.5 49.1 -64.1 -21.0 -6.2 -1.6 38.0 47 47 A F T X4 S- 0 0 0 -3,-1.3 3,-1.6 33,-0.2 -1,-0.2 0.655 85.4-152.5 -98.5 -18.8 -5.2 2.1 38.1 48 48 A G T 3< S- 0 0 65 -4,-0.5 -3,-0.1 -3,-0.4 -5,-0.1 0.824 77.0 -45.1 49.5 39.4 -6.8 3.4 34.9 49 49 A G T 3 S+ 0 0 68 -5,-0.4 -1,-0.3 -7,-0.4 -6,-0.1 0.543 115.9 110.9 85.9 11.4 -4.2 6.2 34.6 50 50 A R < + 0 0 36 -3,-1.6 41,-2.5 -8,-0.1 2,-0.5 0.469 57.5 79.2-101.0 -5.4 -4.4 7.3 38.2 51 51 A S E +c 91 0A 7 -9,-0.4 2,-0.3 39,-0.2 41,-0.2 -0.910 56.0 169.3-101.6 130.9 -0.9 6.1 39.3 52 52 A V E -c 92 0A 82 39,-2.0 41,-2.1 -2,-0.5 2,-0.1 -0.904 37.5 -93.0-130.6 164.9 2.1 8.3 38.4 53 53 A S E +c 93 0A 38 -2,-0.3 41,-0.1 39,-0.2 10,-0.1 -0.395 33.1 176.6 -73.6 153.2 5.7 8.2 39.4 54 54 A G E - 0 0 16 39,-1.3 2,-0.3 1,-0.2 40,-0.2 0.592 58.7 -44.3-115.8 -79.7 6.9 10.3 42.4 55 55 A Y E -c 94 0A 71 38,-0.9 40,-2.1 9,-0.1 2,-0.6 -0.976 39.0-136.3-153.2 159.8 10.6 9.7 42.9 56 56 A D E >> +cD 95 61A 3 5,-2.0 5,-1.1 -2,-0.3 4,-0.9 -0.925 19.1 176.4-119.2 102.8 13.0 6.7 43.0 57 57 A F T 45S+ 0 0 41 38,-2.3 39,-0.2 -2,-0.6 -1,-0.1 0.497 76.5 62.6 -88.4 -3.6 15.5 6.9 45.9 58 58 A V T 45S+ 0 0 50 37,-0.7 -1,-0.2 39,-0.1 38,-0.1 0.911 123.8 15.3 -79.2 -50.1 17.0 3.5 45.2 59 59 A D T 45S- 0 0 102 36,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.359 101.8-122.7-105.8 0.9 18.4 4.4 41.7 60 60 A N T <5 + 0 0 111 -4,-0.9 2,-0.2 1,-0.2 -3,-0.2 0.937 68.5 119.5 51.2 56.8 18.0 8.2 42.0 61 61 A D B S+ 0 0 0 139,-0.1 4,-2.0 -31,-0.1 3,-0.3 -0.143 80.8 95.0 121.3 -34.5 5.7 -6.7 43.0 70 70 A H H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 85.5 46.5 -62.2 -48.7 5.0 -5.7 46.6 71 71 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.751 112.3 50.9 -67.5 -28.2 4.5 -2.0 46.1 72 72 A T H > S+ 0 0 0 -3,-0.3 4,-1.6 2,-0.2 135,-0.4 0.864 110.2 51.8 -70.9 -39.1 2.2 -2.6 43.1 73 73 A H H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 134,-0.4 0.937 112.2 43.1 -63.3 -49.6 0.2 -5.0 45.3 74 74 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.850 113.6 52.8 -69.3 -33.0 -0.3 -2.6 48.2 75 75 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.815 107.8 52.3 -68.5 -30.5 -1.1 0.2 45.7 76 76 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.797 106.5 52.4 -73.4 -31.2 -3.7 -2.0 44.2 77 77 A T H < S+ 0 0 0 -4,-1.4 8,-1.7 2,-0.2 -2,-0.2 0.813 112.7 46.1 -75.5 -31.3 -5.3 -2.7 47.6 78 78 A I H < S- 0 0 0 -4,-1.4 8,-2.6 6,-0.2 -2,-0.2 0.921 138.4 -1.4 -72.1 -47.2 -5.5 1.1 48.2 79 79 A G H < S+ 0 0 0 -4,-2.0 -2,-0.2 6,-0.2 -3,-0.2 0.196 83.0 137.4-141.2 18.4 -6.9 2.1 44.9 80 80 A G X - 0 0 0 -4,-2.2 4,-1.4 3,-0.1 -33,-0.2 -0.474 52.5-131.5 -70.5 142.6 -7.4 -0.8 42.4 81 81 A S T 4 S+ 0 0 67 -35,-1.8 -1,-0.1 2,-0.2 6,-0.1 0.925 102.1 19.8 -61.8 -50.0 -10.6 -0.7 40.5 82 82 A Q T 4 S+ 0 0 85 1,-0.1 -77,-0.3 -78,-0.0 -1,-0.2 0.907 139.8 27.4 -83.7 -49.8 -11.6 -4.3 41.1 83 83 A Y T 4 S+ 0 0 34 -7,-0.1 2,-0.3 -79,-0.1 -2,-0.2 0.100 101.8 98.1-108.8 22.1 -9.5 -5.2 44.2 84 84 A G < - 0 0 0 -4,-1.4 3,-0.2 -5,-0.1 -6,-0.2 -0.731 62.6-141.1-116.9 161.6 -9.1 -1.8 45.9 85 85 A V S S+ 0 0 1 -8,-1.7 2,-0.8 1,-0.3 -6,-0.2 0.923 98.9 37.5 -83.7 -50.1 -10.8 0.1 48.7 86 86 A A S > S- 0 0 0 -8,-2.6 3,-1.5 -9,-0.2 -1,-0.3 -0.833 73.0-170.0-111.3 94.1 -10.8 3.6 47.2 87 87 A K T 3 S+ 0 0 46 -2,-0.8 -59,-0.1 1,-0.3 -1,-0.1 0.388 81.1 37.2 -78.7 0.8 -11.5 3.1 43.5 88 88 A N T 3 S+ 0 0 69 -61,-2.3 -58,-0.4 -8,-0.1 -1,-0.3 0.119 85.1 128.2-132.8 23.1 -10.8 6.6 42.3 89 89 A V < - 0 0 0 -3,-1.5 2,-0.4 -62,-0.4 -57,-0.2 -0.303 60.6-115.5 -67.4 156.6 -7.9 7.6 44.5 90 90 A N E -a 32 0A 65 -59,-2.1 -57,-3.4 -62,-0.4 2,-0.4 -0.842 27.0-153.5 -92.2 136.7 -4.7 9.0 43.1 91 91 A I E -ac 33 51A 1 -41,-2.5 -39,-2.0 -2,-0.4 2,-0.4 -0.929 10.7-172.6-112.6 134.4 -1.5 6.9 43.6 92 92 A V E -ac 34 52A 17 -59,-2.2 -57,-2.1 -2,-0.4 2,-0.4 -0.980 18.6-141.3-127.1 114.9 2.0 8.3 43.7 93 93 A G E -ac 35 53A 0 -41,-2.1 -39,-1.3 -2,-0.4 -38,-0.9 -0.627 16.8-175.7 -76.4 129.2 4.8 5.8 43.7 94 94 A V E -ac 36 55A 0 -59,-2.3 -57,-1.4 -2,-0.4 2,-0.7 -0.926 17.1-150.7-124.7 102.9 7.8 6.6 46.0 95 95 A R E +ac 37 56A 6 -40,-2.1 -38,-2.3 -2,-0.5 -37,-0.7 -0.664 38.5 144.2 -84.3 108.7 10.4 3.8 45.4 96 96 A V + 0 0 2 -59,-2.4 2,-0.4 -2,-0.7 8,-0.3 0.447 59.0 64.5-118.2 -8.3 12.6 3.2 48.5 97 97 A L S S- 0 0 22 -60,-1.6 6,-0.2 6,-0.1 -39,-0.1 -0.936 79.0-123.6-119.9 145.4 13.1 -0.6 48.3 98 98 A S > - 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