==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE, HYDROLASE 09-SEP-03 1O5F . COMPND 2 MOLECULE: SERINE PROTEASE HEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.KATZ,C.LUONG,J.D.HO,J.R.SOMOZA,E.GJERSTAD,J.TANG, . 358 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 3 5 1 3 1 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 2 1 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 5 L P 0 0 162 0, 0.0 305,-0.0 0, 0.0 304,-0.0 0.000 360.0 360.0 360.0 -30.0 -5.1 -10.7 1.6 2 6 L L - 0 0 69 1,-0.1 305,-0.2 305,-0.1 304,-0.1 -0.222 360.0-109.4 -53.4 148.6 -6.9 -7.3 1.1 3 7 L Y - 0 0 19 303,-2.4 -1,-0.1 2,-0.1 41,-0.0 -0.614 23.1-124.8 -80.0 144.3 -8.7 -6.3 4.3 4 8 L P S S+ 0 0 34 0, 0.0 13,-2.5 0, 0.0 2,-0.5 0.585 96.8 61.9 -63.6 -15.3 -12.5 -6.5 3.9 5 9 L V E +A 16 0A 2 11,-0.2 2,-0.3 38,-0.1 11,-0.2 -0.974 69.5 170.4-116.8 130.0 -13.0 -2.9 4.9 6 10 L Q E -A 15 0A 2 9,-2.8 9,-2.9 -2,-0.5 2,-0.4 -0.939 22.3-151.1-135.6 156.0 -11.4 -0.2 2.6 7 11 L V E -A 14 0A 36 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.982 26.5-118.0-129.7 140.0 -11.5 3.5 2.3 8 12 L S > - 0 0 24 5,-2.2 4,-1.3 -2,-0.4 6,-0.0 -0.533 7.5-153.6 -78.5 141.9 -11.0 5.3 -1.0 9 13 L S T 4 S+ 0 0 124 -2,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.519 94.7 59.8 -91.8 -6.0 -8.1 7.7 -1.3 10 14 L A T 4 S- 0 0 90 3,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.939 135.4 -10.3 -85.3 -51.6 -10.0 9.6 -4.0 11 15 L D T 4 S- 0 0 53 2,-0.1 -2,-0.2 88,-0.0 -1,-0.0 0.255 87.9-114.2-133.7 16.1 -13.0 10.5 -1.9 12 16 L A < + 0 0 11 -4,-1.3 87,-2.8 1,-0.2 41,-0.1 0.626 56.4 159.6 60.4 20.2 -12.7 8.6 1.4 13 17 L R B -C 98 0B 2 85,-0.3 -5,-2.2 -6,-0.1 2,-0.3 -0.489 40.6-121.3 -73.0 146.3 -15.9 6.5 0.7 14 18 L L E -A 7 0A 0 83,-2.0 13,-0.5 -7,-0.2 2,-0.4 -0.700 27.2-168.5 -89.5 139.3 -16.0 3.3 2.7 15 19 L M E -A 6 0A 30 -9,-2.9 -9,-2.8 -2,-0.3 2,-0.4 -0.983 2.5-165.6-129.4 137.0 -16.2 -0.0 0.9 16 20 L V E -AB 5 25A 0 9,-2.7 9,-3.0 -2,-0.4 -11,-0.2 -0.990 23.6-119.1-128.3 134.5 -17.0 -3.4 2.5 17 21 L F E - B 0 24A 74 -13,-2.5 2,-0.7 -2,-0.4 7,-0.2 -0.487 14.3-152.1 -74.1 138.8 -16.4 -6.7 0.8 18 22 L D E >>> - B 0 23A 10 5,-3.0 4,-2.9 -2,-0.2 5,-1.3 -0.939 7.4-166.4-115.6 102.3 -19.4 -9.0 0.3 19 23 L K T 345S+ 0 0 173 -2,-0.7 -1,-0.1 1,-0.3 5,-0.0 0.711 81.8 62.4 -65.1 -25.0 -18.0 -12.5 0.3 20 24 L T T 345S+ 0 0 109 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.726 122.3 22.7 -76.4 -16.3 -21.1 -14.2 -1.2 21 25 L E T <45S- 0 0 119 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.646 96.5-125.6-118.6 -23.2 -20.6 -12.1 -4.3 22 26 L G T <5S+ 0 0 46 -4,-2.9 2,-0.2 1,-0.3 -3,-0.2 0.763 71.0 124.8 80.6 27.1 -17.0 -11.1 -4.4 23 27 L T E < -B 18 0A 28 -5,-1.3 -5,-3.0 43,-0.1 2,-0.4 -0.738 61.5-122.7-116.4 166.2 -18.1 -7.5 -4.7 24 28 L W E -B 17 0A 46 40,-0.4 42,-2.4 -2,-0.2 2,-0.3 -0.913 29.5-165.2-109.7 134.8 -17.5 -4.3 -2.7 25 29 L R E -B 16 0A 28 -9,-3.0 -9,-2.7 -2,-0.4 43,-0.2 -0.835 15.5-122.7-120.1 158.2 -20.5 -2.4 -1.3 26 30 L L E -f 68 0C 2 41,-2.2 43,-1.5 -2,-0.3 2,-0.6 -0.398 27.8-112.4 -90.5 167.9 -21.0 1.1 0.1 27 31 L L E -f 69 0C 2 -13,-0.5 70,-2.2 70,-0.3 43,-0.2 -0.943 31.6-126.8-110.9 115.6 -22.3 1.8 3.6 28 32 L a B -D 96 0B 17 41,-2.7 43,-0.3 -2,-0.6 68,-0.3 -0.382 31.4-103.6 -64.7 136.0 -25.7 3.4 3.5 29 33 L S + 0 0 23 66,-3.0 2,-0.3 26,-0.2 66,-0.1 -0.250 49.8 167.5 -59.7 145.0 -25.9 6.7 5.4 30 34 L S > - 0 0 26 -3,-0.1 3,-1.4 40,-0.1 6,-0.1 -0.917 53.7 -94.5-150.9 173.8 -27.7 6.5 8.8 31 35 L R T 3 S+ 0 0 227 -2,-0.3 3,-0.4 1,-0.3 -2,-0.1 0.727 122.4 59.5 -69.4 -19.1 -28.2 8.5 11.9 32 36 L S T >> + 0 0 30 1,-0.2 4,-2.3 2,-0.1 3,-0.8 0.179 64.2 125.5 -97.2 21.4 -25.2 6.6 13.4 33 37 L N H <> + 0 0 17 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.826 69.1 57.1 -46.0 -38.0 -22.7 7.7 10.8 34 38 L A H 3> S+ 0 0 65 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.924 109.9 42.3 -65.2 -41.4 -20.3 9.0 13.4 35 39 L R H <> S+ 0 0 82 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.875 116.1 49.4 -72.5 -35.8 -20.0 5.7 15.2 36 40 L V H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.875 111.5 48.8 -69.7 -38.2 -19.8 3.8 12.0 37 41 L A H X S+ 0 0 1 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.950 115.4 45.5 -64.2 -47.8 -17.1 6.1 10.7 38 42 L G H X S+ 0 0 15 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.903 114.2 47.2 -60.8 -47.2 -15.1 5.7 14.0 39 43 L L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.897 110.0 53.6 -64.0 -43.3 -15.6 2.0 14.1 40 44 L S H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.889 110.2 46.6 -58.7 -46.6 -14.5 1.5 10.4 41 45 L b H X>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-0.5 0.959 113.4 48.4 -62.9 -50.8 -11.2 3.4 10.9 42 46 L E H ><5S+ 0 0 16 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.926 109.9 54.4 -51.8 -48.4 -10.4 1.5 14.1 43 47 L E H 3<5S+ 0 0 0 -4,-2.5 181,-2.5 1,-0.3 -1,-0.2 0.873 107.0 50.4 -52.7 -43.6 -11.2 -1.8 12.3 44 48 L M H 3<5S- 0 0 8 -4,-1.8 -1,-0.3 179,-0.2 179,-0.2 0.521 124.2-101.1 -79.0 -5.1 -8.8 -0.9 9.6 45 49 L G T <<5S+ 0 0 1 -3,-1.8 176,-2.7 -4,-0.5 2,-0.2 0.603 82.6 125.9 95.4 15.1 -6.0 -0.1 12.0 46 50 L F < - 0 0 6 -5,-2.6 -1,-0.4 174,-0.2 57,-0.1 -0.622 65.0-124.3 -97.6 164.9 -6.2 3.7 11.9 47 51 L L S S- 0 0 13 55,-0.4 2,-0.3 1,-0.3 -5,-0.1 0.912 73.2 -32.2 -80.6 -37.9 -6.7 5.4 15.3 48 52 L R - 0 0 80 -7,-0.1 54,-2.5 54,-0.1 2,-0.5 -0.962 61.9 -91.8-166.7 175.2 -9.8 7.3 14.6 49 53 L A E -E 101 0B 26 -2,-0.3 52,-0.3 52,-0.3 3,-0.1 -0.870 24.7-161.8-100.9 131.6 -11.9 9.1 12.1 50 54 L L E S- 0 0 106 50,-3.4 2,-0.3 -2,-0.5 51,-0.2 0.856 73.4 -23.9 -81.2 -40.2 -11.1 12.8 11.9 51 55 L T E -E 100 0B 82 49,-1.4 49,-3.0 -3,-0.1 -1,-0.3 -0.946 59.5-155.1-159.0 174.9 -14.3 13.5 10.1 52 56 L H E -E 99 0B 65 -2,-0.3 2,-0.3 47,-0.3 47,-0.2 -0.968 10.0-174.0-153.7 160.3 -17.0 11.8 7.9 53 57 L S E -E 98 0B 60 45,-2.0 45,-2.2 -2,-0.3 2,-0.5 -0.914 26.4-108.0-150.0 177.4 -19.4 13.0 5.3 54 58 L E E -E 97 0B 70 -2,-0.3 43,-0.2 43,-0.2 2,-0.2 -0.955 28.3-164.1-116.3 130.4 -22.3 11.7 3.2 55 59 L L E -E 96 0B 37 41,-2.9 41,-1.6 -2,-0.5 2,-0.5 -0.642 14.8-132.3-107.2 167.3 -21.8 11.3 -0.6 56 60 L D E >> -E 95 0B 27 -2,-0.2 4,-3.3 39,-0.2 3,-2.2 -0.990 7.8-141.6-124.3 123.4 -24.6 10.9 -3.1 57 61 L V H 3> S+ 0 0 46 37,-2.7 4,-1.6 -2,-0.5 -1,-0.1 0.822 101.9 60.6 -51.9 -36.0 -24.3 8.2 -5.7 58 62 L R H 34 S+ 0 0 227 36,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.627 118.5 24.6 -69.3 -13.7 -25.9 10.5 -8.2 59 63 L T H <4 S+ 0 0 119 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.642 131.9 37.7-118.9 -31.6 -23.1 13.1 -7.9 60 64 L A H < S- 0 0 39 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.773 98.9-134.7 -94.7 -29.9 -20.2 11.0 -6.7 61 65 L G < - 0 0 28 -4,-1.6 -1,-0.2 -5,-0.5 -2,-0.1 -0.349 23.6 -89.2 100.5 175.6 -20.7 7.8 -8.7 62 66 L A - 0 0 44 -2,-0.1 3,-0.4 3,-0.1 -1,-0.1 0.680 44.2-154.0 -96.3 -26.5 -20.5 4.1 -7.6 63 67 L A S S- 0 0 72 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.840 71.0 -44.3 50.1 44.6 -16.8 3.8 -8.3 64 68 L G S S+ 0 0 68 1,-0.3 -40,-0.4 -41,-0.0 -1,-0.2 0.730 104.9 126.6 80.4 26.5 -17.0 0.1 -8.9 65 69 L T - 0 0 16 -3,-0.4 2,-0.3 -42,-0.1 -1,-0.3 -0.613 48.8-145.8-107.0 171.6 -19.2 -1.0 -6.0 66 70 L S - 0 0 58 -42,-2.4 2,-0.2 -2,-0.2 -43,-0.1 -0.649 58.9 -40.7-135.7 78.8 -22.3 -3.1 -6.4 67 71 L G - 0 0 31 -2,-0.3 -41,-2.2 -42,-0.1 2,-0.3 -0.523 68.8 -72.6 106.1-173.8 -24.9 -2.1 -3.8 68 72 L F E -fG 26 89C 27 21,-0.7 21,-1.5 -43,-0.2 2,-0.4 -0.839 16.0-149.0-131.8 164.0 -25.1 -1.2 -0.2 69 73 L F E -fG 27 88C 17 -43,-1.5 -41,-2.7 -2,-0.3 2,-0.3 -0.932 20.3-153.9-128.8 142.9 -24.8 -2.6 3.2 70 74 L c E - G 0 87C 36 17,-3.0 17,-2.1 -2,-0.4 2,-0.4 -0.899 14.4-122.7-122.9 152.0 -26.9 -1.0 6.0 71 75 L V E - G 0 86C 16 -2,-0.3 2,-1.3 -43,-0.3 15,-0.2 -0.769 11.0-128.6-101.8 141.6 -26.1 -1.0 9.7 72 76 L D >> - 0 0 79 13,-2.6 4,-2.5 -2,-0.4 3,-0.9 -0.722 24.3-170.2 -87.2 97.9 -28.2 -2.4 12.5 73 77 L E T 34 S+ 0 0 61 -2,-1.3 -1,-0.2 1,-0.2 -43,-0.0 0.772 80.8 61.1 -63.4 -26.0 -28.0 0.7 14.7 74 78 L G T 34 S+ 0 0 57 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.766 115.1 31.8 -75.5 -23.4 -29.6 -1.2 17.6 75 79 L R T X> S+ 0 0 92 -3,-0.9 3,-2.2 10,-0.1 4,-0.7 0.703 97.2 91.9-102.6 -25.5 -26.7 -3.7 17.7 76 80 L L G >< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.3 -2,-0.1 0.814 82.9 52.1 -34.2 -54.9 -24.0 -1.2 16.6 77 81 L P G 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.264 104.2 58.0 -76.3 16.3 -23.0 -0.1 20.2 78 82 L H G <4 S+ 0 0 146 -3,-2.2 -2,-0.2 0, 0.0 -3,-0.1 0.497 94.7 94.8-114.9 -16.0 -22.5 -3.7 21.3 79 83 L T << - 0 0 20 -3,-1.2 3,-0.1 -4,-0.7 -3,-0.0 -0.224 46.3-176.6 -83.0 166.1 -19.9 -4.5 18.6 80 84 L Q S S+ 0 0 98 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.459 82.8 51.6-126.4 -34.4 -16.1 -4.5 18.2 81 85 L R > - 0 0 71 1,-0.1 3,-0.5 -38,-0.0 -1,-0.2 -0.914 66.7-147.3-119.0 144.8 -16.4 -5.4 14.4 82 86 L L G > S+ 0 0 0 -2,-0.4 3,-2.4 1,-0.2 4,-0.2 0.911 92.0 64.3 -66.6 -49.3 -18.3 -3.8 11.6 83 87 L L G > S+ 0 0 64 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.693 94.7 62.2 -54.9 -20.2 -19.0 -6.9 9.5 84 88 L E G < S+ 0 0 101 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.505 107.3 40.5 -88.6 1.1 -21.1 -8.5 12.3 85 89 L V G < S+ 0 0 6 -3,-2.4 -13,-2.6 -4,-0.1 2,-0.3 0.079 96.6 97.1-129.8 25.5 -23.9 -5.7 12.3 86 90 L I E < +G 71 0C 27 -3,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.817 43.0 175.3-116.5 154.7 -24.2 -5.1 8.6 87 91 L S E -G 70 0C 68 -17,-2.1 -17,-3.0 -2,-0.3 -3,-0.0 -0.988 40.0 -92.7-152.0 149.7 -26.7 -6.5 6.1 88 92 L V E +G 69 0C 78 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.3 -0.335 54.3 165.4 -62.7 147.9 -27.4 -5.9 2.4 89 93 L c E -G 68 0C 28 -21,-1.5 -21,-0.7 1,-0.1 -1,-0.0 -0.885 45.9-115.3-151.7-178.8 -30.0 -3.2 1.9 90 94 L D - 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