==== 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 1O5E . 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) . 15382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 62.8 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 . 102 28.5 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 0 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 . 6 4 2 6 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 0 1 1 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 0 161 0, 0.0 305,-0.0 0, 0.0 304,-0.0 0.000 360.0 360.0 360.0 -38.2 -4.9 -10.6 1.7 2 6 L L - 0 0 75 1,-0.1 305,-0.2 305,-0.1 304,-0.1 -0.179 360.0-115.8 -50.6 146.5 -7.0 -7.4 1.1 3 7 L Y - 0 0 18 303,-1.9 -1,-0.1 2,-0.1 41,-0.0 -0.640 20.0-124.2 -84.6 144.8 -8.7 -6.4 4.3 4 8 L P S S+ 0 0 36 0, 0.0 13,-2.5 0, 0.0 2,-0.5 0.664 96.8 60.4 -66.3 -18.9 -12.5 -6.6 3.9 5 9 L V E +A 16 0A 1 11,-0.2 2,-0.3 38,-0.1 11,-0.2 -0.961 69.2 168.0-112.5 128.3 -13.1 -3.0 4.9 6 10 L Q E -A 15 0A 3 9,-2.6 9,-2.3 -2,-0.5 2,-0.4 -0.887 22.7-150.1-133.3 163.3 -11.4 -0.3 2.7 7 11 L V E -A 14 0A 37 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.991 26.5-115.3-136.2 140.2 -11.6 3.5 2.3 8 12 L S > - 0 0 26 5,-2.2 4,-1.2 -2,-0.4 91,-0.1 -0.474 7.5-151.5 -76.7 142.5 -11.0 5.3 -1.0 9 13 L S T 4 S+ 0 0 127 -2,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.450 95.3 56.0 -92.6 0.9 -8.2 7.7 -1.4 10 14 L A T 4 S- 0 0 93 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.856 135.2 -5.7 -97.8 -44.8 -10.1 9.7 -4.0 11 15 L D T 4 S- 0 0 51 2,-0.1 -2,-0.2 88,-0.0 -3,-0.0 0.194 88.1-117.3-136.0 19.1 -13.2 10.5 -1.9 12 16 L A < + 0 0 13 -4,-1.2 87,-3.0 1,-0.2 41,-0.1 0.621 54.6 160.8 54.4 19.6 -12.9 8.6 1.4 13 17 L R B -E 98 0B 2 85,-0.3 -5,-2.2 -6,-0.1 2,-0.3 -0.473 39.6-123.3 -70.0 144.8 -16.0 6.5 0.7 14 18 L L E -A 7 0A 0 83,-2.1 13,-0.6 -7,-0.2 2,-0.4 -0.697 26.7-169.0 -89.8 142.8 -16.0 3.3 2.8 15 19 L M E -AB 6 26A 30 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.4 -0.989 2.0-164.9-129.8 133.8 -16.3 -0.1 0.9 16 20 L V E -AB 5 25A 1 9,-2.7 9,-2.9 -2,-0.4 2,-0.2 -0.981 24.6-115.4-127.1 138.4 -17.0 -3.4 2.6 17 21 L F E - B 0 24A 73 -13,-2.5 2,-0.7 -2,-0.4 7,-0.2 -0.522 15.8-156.5 -76.0 135.3 -16.5 -6.7 1.0 18 22 L D E >>> - B 0 23A 11 5,-3.0 4,-2.9 -2,-0.2 3,-1.5 -0.935 6.1-165.1-112.8 96.9 -19.4 -9.0 0.4 19 23 L K T 345S+ 0 0 170 -2,-0.7 -1,-0.1 1,-0.3 5,-0.0 0.659 84.9 60.2 -61.0 -21.6 -18.0 -12.5 0.2 20 24 L T T 345S+ 0 0 106 1,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.646 119.7 29.4 -82.1 -10.9 -21.0 -14.0 -1.4 21 25 L E T <45S- 0 0 110 -3,-1.5 -2,-0.2 2,-0.2 -1,-0.1 0.723 95.2-132.3-111.8 -35.1 -20.6 -11.6 -4.3 22 26 L G T <5S+ 0 0 49 -4,-2.9 2,-0.2 1,-0.4 -3,-0.2 0.668 73.4 112.9 85.0 19.9 -16.9 -11.1 -4.3 23 27 L T E < -B 18 0A 32 -5,-1.2 -5,-3.0 43,-0.1 2,-0.4 -0.751 69.6-115.8-120.3 167.9 -17.8 -7.3 -4.6 24 28 L W E -B 17 0A 42 40,-0.4 42,-2.5 -2,-0.2 2,-0.3 -0.816 28.7-160.0-104.6 142.8 -17.4 -4.3 -2.4 25 29 L R E -B 16 0A 23 -9,-2.9 -9,-2.7 -2,-0.4 43,-0.2 -0.883 15.5-120.5-121.4 154.2 -20.6 -2.6 -1.2 26 30 L L E -Bc 15 68A 1 41,-2.0 43,-2.0 -2,-0.3 2,-0.6 -0.478 27.4-114.3 -89.7 163.7 -21.0 1.0 0.1 27 31 L L E - c 0 69A 0 -13,-0.6 70,-2.1 70,-0.3 43,-0.2 -0.904 29.7-126.9-106.1 115.5 -22.3 1.8 3.6 28 32 L a B -F 96 0B 16 41,-2.8 43,-0.3 -2,-0.6 68,-0.3 -0.371 29.9-105.3 -64.7 140.7 -25.7 3.5 3.6 29 33 L S + 0 0 21 66,-2.8 2,-0.3 26,-0.1 66,-0.1 -0.332 48.6 167.2 -65.3 145.4 -25.8 6.7 5.5 30 34 L S > - 0 0 25 -3,-0.1 3,-1.4 40,-0.1 6,-0.1 -0.899 54.3 -94.5-150.0 174.1 -27.7 6.4 8.9 31 35 L R T 3 S+ 0 0 222 -2,-0.3 3,-0.3 1,-0.2 -2,-0.1 0.660 122.0 63.0 -73.0 -10.1 -28.0 8.5 12.0 32 36 L S T >> + 0 0 30 1,-0.2 4,-2.4 39,-0.1 3,-0.9 0.236 64.7 123.9 -96.5 16.0 -25.2 6.5 13.5 33 37 L N H <> + 0 0 19 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.821 69.3 54.3 -41.3 -44.9 -22.6 7.7 10.8 34 38 L A H 3> S+ 0 0 66 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.893 111.1 43.6 -63.5 -38.9 -20.2 9.0 13.4 35 39 L R H <> S+ 0 0 85 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.890 115.5 49.5 -72.7 -37.4 -20.0 5.8 15.3 36 40 L V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.873 111.9 47.6 -67.9 -39.7 -19.7 3.8 12.1 37 41 L A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.938 115.4 46.8 -66.5 -47.1 -16.9 6.1 10.7 38 42 L G H X S+ 0 0 15 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.916 115.2 44.8 -59.8 -47.9 -15.1 5.8 14.1 39 43 L L H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.908 111.6 52.8 -65.8 -45.1 -15.5 2.0 14.2 40 44 L S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.904 110.9 47.8 -58.9 -41.1 -14.5 1.5 10.4 41 45 L b H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.4 0.924 113.1 46.9 -67.3 -45.5 -11.3 3.5 11.0 42 46 L E H ><5S+ 0 0 17 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.952 109.4 56.0 -58.5 -49.3 -10.4 1.5 14.2 43 47 L E H 3<5S+ 0 0 1 -4,-2.5 181,-2.5 1,-0.3 -1,-0.2 0.890 107.1 49.3 -46.8 -47.2 -11.2 -1.8 12.3 44 48 L M T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.2 179,-0.2 0.547 124.5-100.6 -77.7 -5.8 -8.7 -0.9 9.6 45 49 L G T < 5S+ 0 0 1 -3,-2.1 176,-2.4 -4,-0.4 2,-0.2 0.631 82.0 127.0 96.1 17.2 -5.9 -0.1 12.0 46 50 L F < - 0 0 10 -5,-2.7 -1,-0.4 174,-0.2 57,-0.1 -0.659 63.1-126.6 -98.1 164.1 -6.2 3.7 11.9 47 51 L L S S- 0 0 12 55,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.921 73.9 -26.3 -80.2 -39.9 -6.6 5.5 15.4 48 52 L R - 0 0 77 -7,-0.1 54,-2.9 54,-0.1 2,-0.4 -0.963 61.3 -97.4-160.9 175.0 -9.7 7.4 14.7 49 53 L A E -G 101 0B 28 -2,-0.3 52,-0.3 52,-0.3 3,-0.1 -0.849 23.4-164.5-101.0 137.6 -11.8 9.1 12.1 50 54 L L E S- 0 0 108 50,-3.5 2,-0.3 -2,-0.4 51,-0.2 0.809 71.7 -23.1 -91.0 -39.4 -11.1 12.9 11.9 51 55 L T E -G 100 0B 81 49,-1.5 49,-3.2 -3,-0.1 -1,-0.4 -0.971 56.7-159.6-160.9 171.4 -14.3 13.5 10.0 52 56 L H E -G 99 0B 68 -2,-0.3 2,-0.2 47,-0.3 47,-0.2 -0.954 10.0-174.0-152.4 161.3 -16.9 11.8 7.8 53 57 L S E -G 98 0B 64 45,-1.7 45,-1.6 -2,-0.3 2,-0.5 -0.810 27.7-102.6-147.2-173.5 -19.4 13.1 5.3 54 58 L E E -G 97 0B 69 -2,-0.2 43,-0.2 43,-0.2 2,-0.2 -0.983 30.3-163.1-124.3 124.6 -22.3 11.8 3.2 55 59 L L E -G 96 0B 39 41,-3.0 41,-1.1 -2,-0.5 2,-0.5 -0.542 14.1-131.9-100.6 169.1 -21.9 11.3 -0.6 56 60 L D E >>> -G 95 0B 27 39,-0.2 4,-3.0 -2,-0.2 3,-1.9 -0.980 4.9-146.2-125.4 120.7 -24.6 10.9 -3.2 57 61 L V H 3>5S+ 0 0 46 37,-2.9 4,-2.2 -2,-0.5 -1,-0.1 0.888 100.6 59.0 -53.0 -41.2 -24.4 8.1 -5.7 58 62 L R H 345S+ 0 0 232 36,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.686 118.7 26.0 -64.4 -17.5 -26.0 10.4 -8.2 59 63 L T H <45S+ 0 0 120 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.586 132.6 36.9-116.8 -19.8 -23.3 13.1 -8.0 60 64 L A H <5S- 0 0 40 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.747 98.5-136.7-103.9 -32.5 -20.4 10.9 -6.9 61 65 L G << - 0 0 31 -4,-2.2 -1,-0.2 -5,-0.5 -2,-0.1 -0.401 25.0 -88.5 100.3-179.0 -21.0 7.6 -8.8 62 66 L A - 0 0 40 -2,-0.1 -1,-0.1 -4,-0.1 4,-0.1 0.780 42.2-150.9 -97.8 -33.5 -20.6 4.1 -7.5 63 67 L A S S- 0 0 74 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.835 70.2 -44.8 63.0 41.0 -17.0 3.7 -8.4 64 68 L G S S+ 0 0 67 1,-0.2 -40,-0.4 -41,-0.0 2,-0.2 0.838 102.2 127.6 79.5 37.0 -17.2 -0.1 -8.9 65 69 L T - 0 0 19 -42,-0.1 2,-0.3 -50,-0.0 -40,-0.2 -0.675 49.4-141.0-115.2 172.4 -19.3 -1.3 -6.0 66 70 L S - 0 0 49 -42,-2.5 2,-0.2 -2,-0.2 -43,-0.1 -0.661 59.0 -38.5-135.9 80.6 -22.4 -3.4 -6.1 67 71 L G S S- 0 0 33 -2,-0.3 -41,-2.0 -42,-0.1 2,-0.3 -0.522 70.1 -75.4 105.1-174.5 -25.1 -2.4 -3.7 68 72 L F E -cD 26 89A 27 21,-0.8 21,-1.7 -43,-0.2 2,-0.3 -0.851 20.1-149.1-130.8 159.2 -25.2 -1.2 -0.2 69 73 L F E -cD 27 88A 17 -43,-2.0 -41,-2.8 -2,-0.3 2,-0.3 -0.904 17.0-154.7-124.6 148.1 -24.9 -2.5 3.3 70 74 L c E - D 0 87A 34 17,-2.8 17,-2.4 -2,-0.3 2,-0.4 -0.919 13.8-125.0-127.0 153.6 -26.8 -1.0 6.1 71 75 L V E - D 0 86A 15 -2,-0.3 2,-1.2 -43,-0.3 15,-0.2 -0.832 14.6-127.9-104.6 139.4 -25.9 -1.0 9.8 72 76 L D >> - 0 0 83 13,-2.9 4,-2.4 -2,-0.4 3,-0.7 -0.733 26.5-166.0 -85.2 102.9 -28.2 -2.4 12.5 73 77 L E T 34 S+ 0 0 61 -2,-1.2 -1,-0.2 1,-0.2 -43,-0.0 0.818 80.7 58.0 -63.3 -34.5 -27.9 0.7 14.7 74 78 L G T 34 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.776 115.5 36.0 -72.4 -20.8 -29.4 -1.0 17.7 75 79 L R T X> S+ 0 0 93 -3,-0.7 3,-2.5 10,-0.1 4,-0.5 0.760 94.9 89.9 -98.2 -30.0 -26.7 -3.6 17.7 76 80 L L G >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.777 82.4 56.0 -32.5 -50.2 -24.0 -1.2 16.5 77 81 L P G 34 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.292 103.0 56.2 -72.5 12.8 -23.0 -0.2 20.2 78 82 L H G <4 S+ 0 0 141 -3,-2.5 -2,-0.2 0, 0.0 2,-0.1 0.453 93.2 100.2-117.0 -9.5 -22.4 -3.9 21.2 79 83 L T << + 0 0 17 -3,-1.1 3,-0.1 -4,-0.5 -3,-0.0 -0.329 42.3 176.9 -84.1 158.4 -19.9 -4.4 18.4 80 84 L Q S S+ 0 0 99 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.459 83.8 48.6-125.1 -35.0 -16.1 -4.5 18.1 81 85 L R > - 0 0 65 1,-0.1 3,-1.5 -38,-0.0 -1,-0.3 -0.957 69.2-147.0-122.3 131.5 -16.3 -5.4 14.4 82 86 L L G > S+ 0 0 0 -2,-0.5 3,-2.3 1,-0.3 4,-0.3 0.865 92.2 67.7 -54.1 -46.8 -18.4 -3.8 11.7 83 87 L L G > S+ 0 0 62 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.705 92.7 61.2 -55.4 -18.9 -19.0 -6.9 9.7 84 88 L E G < S+ 0 0 100 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.607 108.8 39.7 -88.0 -5.4 -21.1 -8.4 12.4 85 89 L V G < S+ 0 0 5 -3,-2.3 -13,-2.9 -4,-0.2 2,-0.3 0.142 95.4 94.9-123.9 22.0 -23.8 -5.7 12.4 86 90 L I E < +D 71 0A 26 -3,-0.5 2,-0.3 -4,-0.3 -15,-0.2 -0.827 44.6 178.4-114.8 151.5 -24.2 -4.9 8.7 87 91 L S E -D 70 0A 65 -17,-2.4 -17,-2.8 -2,-0.3 -3,-0.0 -0.990 38.4 -92.4-147.2 154.2 -26.7 -6.3 6.1 88 92 L V E +D 69 0A 82 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.3 -0.370 55.3 164.0 -64.4 150.6 -27.4 -5.8 2.4 89 93 L c E -D 68 0A 29 -21,-1.7 -21,-0.8 1,-0.0 -1,-0.0 -0.921 47.3-113.7-156.4 175.9 -30.1 -3.2 1.9 90 94 L D - 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