==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-03 1P57 . COMPND 2 MOLECULE: SERINE PROTEASE HEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.SOMOZA,J.D.HO,C.LUONG,P.A.SPRENGELER,K.MORTARA, . 357 3 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 28.3 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 . 42 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.0 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 2 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 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 0 PARALLEL BRIDGES PER LADDER . 6 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 A P 0 0 156 0, 0.0 304,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 36.0 -5.1 -10.7 1.1 2 6 A L - 0 0 78 1,-0.1 305,-0.2 305,-0.1 304,-0.1 -0.291 360.0-112.8 -66.3 152.2 -7.1 -7.4 1.1 3 7 A Y - 0 0 19 303,-2.1 -1,-0.1 2,-0.1 41,-0.0 -0.659 25.1-123.5 -82.7 142.9 -8.7 -6.4 4.3 4 8 A P S S+ 0 0 34 0, 0.0 13,-2.7 0, 0.0 2,-0.5 0.612 97.4 62.1 -63.6 -16.4 -12.5 -6.6 4.0 5 9 A V E +A 16 0A 1 11,-0.2 2,-0.3 38,-0.1 11,-0.2 -0.972 68.2 168.5-116.7 127.5 -12.9 -2.9 4.9 6 10 A Q E -A 15 0A 2 9,-2.5 9,-2.6 -2,-0.5 2,-0.4 -0.918 22.5-151.4-134.0 157.1 -11.3 -0.3 2.6 7 11 A V E -A 14 0A 37 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.980 27.4-115.3-130.9 139.6 -11.6 3.4 2.3 8 12 A S > - 0 0 25 5,-2.2 4,-1.3 -2,-0.4 91,-0.1 -0.517 8.4-152.5 -77.7 142.7 -11.0 5.2 -1.0 9 13 A S T 4 S+ 0 0 128 -2,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.614 95.0 56.8 -88.4 -13.5 -8.1 7.6 -1.4 10 14 A A T 4 S- 0 0 90 3,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.920 135.7 -8.0 -84.6 -45.8 -10.0 9.6 -4.1 11 15 A D T 4 S- 0 0 53 2,-0.1 -2,-0.2 88,-0.0 -1,-0.1 0.217 87.5-115.6-138.6 19.5 -13.1 10.5 -2.0 12 16 A A < + 0 0 11 -4,-1.3 87,-3.1 1,-0.2 41,-0.1 0.621 54.9 159.7 56.4 20.4 -12.9 8.5 1.4 13 17 A R B -C 98 0B 3 85,-0.3 -5,-2.2 -6,-0.1 2,-0.3 -0.488 41.0-121.1 -71.8 147.3 -16.0 6.4 0.7 14 18 A L E -A 7 0A 0 83,-2.2 13,-0.5 -7,-0.2 2,-0.4 -0.673 27.4-168.4 -89.3 143.8 -16.1 3.3 2.8 15 19 A M E -A 6 0A 29 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.5 -0.997 2.3-167.2-133.3 131.9 -16.2 -0.1 1.0 16 20 A V E -AB 5 25A 1 9,-2.5 9,-2.4 -2,-0.4 -11,-0.2 -0.989 25.6-116.2-127.6 131.8 -17.0 -3.4 2.7 17 21 A F E - B 0 24A 72 -13,-2.7 2,-0.6 -2,-0.5 7,-0.2 -0.376 16.1-154.9 -68.0 138.6 -16.4 -6.7 1.0 18 22 A D E >>> - B 0 23A 10 5,-3.1 4,-2.8 1,-0.1 5,-1.3 -0.951 4.5-164.3-117.3 103.7 -19.4 -9.0 0.4 19 23 A K T 345S+ 0 0 170 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.708 83.8 62.4 -65.5 -23.2 -18.0 -12.5 0.2 20 24 A T T 345S+ 0 0 109 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.717 120.3 26.1 -76.3 -17.1 -21.1 -14.0 -1.5 21 25 A E T <45S- 0 0 114 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.684 96.8-128.5-112.8 -28.4 -20.5 -11.7 -4.4 22 26 A G T <5S+ 0 0 48 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.744 74.7 113.5 82.2 25.1 -16.8 -11.1 -4.3 23 27 A T E < -B 18 0A 31 -5,-1.3 -5,-3.1 43,-0.1 -1,-0.3 -0.818 68.5-118.9-124.9 166.2 -17.7 -7.4 -4.6 24 28 A W E -B 17 0A 41 40,-0.4 42,-2.6 -2,-0.3 2,-0.3 -0.765 28.2-159.3-103.0 149.1 -17.4 -4.3 -2.3 25 29 A R E -B 16 0A 24 -9,-2.4 -9,-2.5 -2,-0.3 43,-0.3 -0.894 16.1-117.0-127.1 158.2 -20.5 -2.5 -1.2 26 30 A L E -f 68 0C 2 41,-2.3 43,-1.8 -2,-0.3 2,-0.6 -0.433 28.6-113.5 -89.2 166.0 -21.0 1.0 0.1 27 31 A L E -f 69 0C 1 -13,-0.5 70,-2.3 70,-0.3 43,-0.2 -0.922 30.1-125.1-108.1 115.1 -22.4 1.8 3.6 28 32 A a B -D 96 0B 17 41,-2.9 43,-0.4 -2,-0.6 68,-0.3 -0.390 30.7-108.5 -63.6 133.3 -25.7 3.4 3.5 29 33 A S + 0 0 22 66,-2.7 2,-0.3 26,-0.2 66,-0.1 -0.310 48.7 166.6 -60.7 142.9 -25.8 6.6 5.4 30 34 A S > - 0 0 27 -3,-0.1 3,-1.5 40,-0.0 6,-0.1 -0.892 54.7 -90.9-149.3 175.2 -27.7 6.5 8.8 31 35 A R T 3 S+ 0 0 229 -2,-0.3 3,-0.4 1,-0.3 -2,-0.1 0.746 123.0 61.5 -67.8 -19.9 -28.1 8.6 11.9 32 36 A S T >> + 0 0 32 1,-0.2 4,-2.5 39,-0.1 3,-0.6 0.170 64.5 123.8 -93.9 21.3 -25.2 6.5 13.4 33 37 A N H <> + 0 0 18 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.841 68.7 56.2 -45.3 -44.4 -22.7 7.7 10.8 34 38 A A H 3> S+ 0 0 64 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.902 111.6 41.1 -59.9 -43.4 -20.2 9.1 13.4 35 39 A R H <> S+ 0 0 86 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.867 115.4 50.8 -75.0 -35.0 -19.9 5.8 15.3 36 40 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.908 111.9 47.6 -69.0 -39.6 -19.8 3.8 12.1 37 41 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.942 115.0 46.8 -63.0 -48.4 -17.0 6.0 10.7 38 42 A G H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.930 114.1 46.5 -57.7 -53.9 -15.1 5.7 14.1 39 43 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.886 111.4 52.4 -57.7 -44.7 -15.5 1.9 14.2 40 44 A S H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.877 110.2 47.3 -60.0 -45.0 -14.5 1.5 10.5 41 45 A b H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.5 0.939 113.6 48.3 -64.0 -48.3 -11.2 3.5 10.9 42 46 A E H ><5S+ 0 0 17 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.939 109.2 54.5 -53.3 -52.3 -10.4 1.5 14.2 43 47 A E H 3<5S+ 0 0 0 -4,-2.5 181,-2.4 1,-0.3 -1,-0.2 0.862 107.8 49.2 -48.5 -44.6 -11.1 -1.8 12.3 44 48 A M T 3<5S- 0 0 7 -4,-1.6 -1,-0.3 179,-0.2 179,-0.2 0.524 124.4-100.5 -80.7 -5.8 -8.7 -1.0 9.6 45 49 A G T < 5S+ 0 0 1 -3,-2.0 176,-2.6 -4,-0.5 2,-0.2 0.583 82.1 126.5 97.1 14.1 -5.9 -0.1 12.0 46 50 A F < - 0 0 6 -5,-2.7 -1,-0.4 174,-0.2 57,-0.1 -0.620 63.3-126.4 -96.0 163.0 -6.2 3.7 11.9 47 51 A L S S- 0 0 11 55,-0.4 2,-0.3 1,-0.3 -5,-0.1 0.962 73.4 -25.2 -77.5 -47.1 -6.6 5.4 15.3 48 52 A R - 0 0 82 -7,-0.1 54,-2.6 54,-0.1 2,-0.5 -0.941 62.1 -96.6-155.2 174.4 -9.7 7.4 14.7 49 53 A A E -E 101 0B 26 -2,-0.3 52,-0.3 52,-0.3 3,-0.1 -0.874 25.0-162.8 -99.0 129.9 -11.9 9.0 12.1 50 54 A L E S- 0 0 101 50,-3.4 2,-0.3 -2,-0.5 51,-0.2 0.860 71.9 -26.5 -81.4 -41.2 -11.0 12.7 11.9 51 55 A T E -E 100 0B 81 49,-1.6 49,-3.0 -3,-0.1 -1,-0.3 -0.949 58.1-154.6-160.5 175.2 -14.3 13.4 10.1 52 56 A H E -E 99 0B 68 -2,-0.3 2,-0.3 47,-0.3 47,-0.2 -0.962 9.7-174.3-154.4 158.8 -16.9 11.8 7.8 53 57 A S E -E 98 0B 63 45,-1.8 45,-2.2 -2,-0.3 2,-0.4 -0.854 27.4-106.3-146.5-179.8 -19.4 13.0 5.3 54 58 A E E -E 97 0B 69 -2,-0.3 2,-0.2 43,-0.2 43,-0.2 -0.958 28.7-161.7-117.6 134.2 -22.2 11.7 3.1 55 59 A L E -E 96 0B 36 41,-3.0 41,-1.7 -2,-0.4 2,-0.5 -0.696 12.9-133.7-110.5 165.4 -21.8 11.2 -0.6 56 60 A D E >>> -E 95 0B 28 -2,-0.2 4,-3.1 39,-0.2 3,-1.8 -0.984 6.3-144.0-121.7 123.9 -24.6 10.8 -3.2 57 61 A V H 3>5S+ 0 0 49 37,-2.7 4,-2.3 -2,-0.5 -1,-0.1 0.895 100.6 60.1 -55.7 -40.1 -24.4 8.0 -5.8 58 62 A R H 345S+ 0 0 230 36,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.681 118.6 25.6 -63.2 -15.6 -26.0 10.4 -8.3 59 63 A T H <45S+ 0 0 118 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.654 133.8 34.2-115.6 -29.4 -23.3 13.0 -8.1 60 64 A A H <5S- 0 0 41 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.707 98.2-136.6 -99.9 -26.2 -20.3 10.8 -7.0 61 65 A G << - 0 0 29 -4,-2.3 -1,-0.2 -5,-0.5 -2,-0.1 -0.385 26.6 -84.4 96.9-175.6 -20.9 7.5 -8.8 62 66 A A - 0 0 42 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 0.696 44.3-152.1 -99.2 -31.3 -20.6 3.9 -7.5 63 67 A A S S- 0 0 72 1,-0.2 -2,-0.0 -6,-0.1 -6,-0.0 0.771 70.2 -46.8 61.2 30.2 -16.9 3.7 -8.2 64 68 A G S S+ 0 0 65 1,-0.3 -40,-0.4 -41,-0.0 2,-0.3 0.858 102.3 126.2 86.2 40.3 -17.1 -0.1 -8.7 65 69 A T - 0 0 17 -42,-0.1 2,-0.4 -50,-0.0 -1,-0.3 -0.760 51.6-138.3-119.0 169.1 -19.2 -1.3 -5.8 66 70 A S - 0 0 48 -42,-2.6 2,-0.1 -2,-0.3 -43,-0.1 -0.739 60.4 -42.2-130.7 85.1 -22.3 -3.4 -6.1 67 71 A G S S- 0 0 32 -2,-0.4 -41,-2.3 -42,-0.1 2,-0.3 -0.453 71.2 -70.9 99.4-172.7 -25.0 -2.3 -3.7 68 72 A F E -fG 26 89C 29 21,-0.7 21,-1.5 -43,-0.3 2,-0.3 -0.849 19.9-149.4-129.9 160.5 -25.2 -1.2 -0.2 69 73 A F E -fG 27 88C 18 -43,-1.8 -41,-2.9 -2,-0.3 2,-0.4 -0.906 18.9-153.1-126.0 147.1 -24.9 -2.6 3.3 70 74 A c E - G 0 87C 34 17,-3.0 17,-2.2 -2,-0.3 2,-0.4 -0.942 13.3-124.5-127.4 148.3 -26.9 -1.1 6.1 71 75 A V E - G 0 86C 15 -2,-0.4 2,-1.5 -43,-0.4 15,-0.2 -0.789 13.4-129.2 -99.8 136.7 -26.0 -1.0 9.7 72 76 A D >> - 0 0 68 13,-2.7 4,-2.2 -2,-0.4 3,-1.0 -0.675 24.7-166.3 -82.7 96.1 -28.2 -2.4 12.4 73 77 A E T 34 S+ 0 0 61 -2,-1.5 -1,-0.2 1,-0.2 -43,-0.0 0.760 82.1 60.0 -57.7 -26.6 -28.0 0.7 14.6 74 78 A G T 34 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.802 114.1 34.4 -74.7 -28.6 -29.5 -1.1 17.6 75 79 A R T X4 S+ 0 0 102 -3,-1.0 3,-2.7 10,-0.1 4,-0.4 0.716 96.0 91.6 -95.5 -23.9 -26.7 -3.7 17.6 76 80 A L G >< S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.3 -2,-0.1 0.836 82.1 54.0 -34.0 -54.2 -24.1 -1.1 16.5 77 81 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.377 102.4 59.4 -75.3 8.6 -23.1 -0.2 20.1 78 82 A H G < S+ 0 0 153 -3,-2.7 -2,-0.2 0, 0.0 2,-0.2 0.382 93.0 99.3-112.8 -0.5 -22.4 -3.9 21.1 79 83 A T < + 0 0 20 -3,-1.8 3,-0.1 -4,-0.4 -3,-0.0 -0.446 41.2 174.3 -97.4 164.3 -19.8 -4.4 18.5 80 84 A Q S S+ 0 0 96 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.412 84.8 54.3-127.1 -33.6 -16.1 -4.4 18.0 81 85 A R > - 0 0 66 1,-0.1 3,-1.3 -38,-0.0 -1,-0.2 -0.938 67.0-152.0-120.9 127.4 -16.4 -5.5 14.4 82 86 A L G > S+ 0 0 0 -2,-0.5 3,-2.3 1,-0.3 4,-0.2 0.893 89.6 67.0 -52.4 -51.2 -18.4 -3.8 11.7 83 87 A L G > S+ 0 0 64 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.691 92.7 61.3 -52.5 -21.3 -19.0 -6.9 9.6 84 88 A E G < S+ 0 0 106 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.454 106.5 42.6 -90.5 5.3 -21.3 -8.5 12.2 85 89 A V G < S+ 0 0 0 -3,-2.3 -13,-2.7 -4,-0.1 2,-0.3 0.087 95.7 98.2-129.8 22.7 -23.9 -5.7 12.3 86 90 A I E < +G 71 0C 25 -3,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.851 42.9 174.3-115.5 148.8 -24.2 -5.1 8.6 87 91 A S E -G 70 0C 62 -17,-2.2 -17,-3.0 -2,-0.3 2,-0.1 -0.974 40.0 -95.0-144.6 155.0 -26.8 -6.5 6.1 88 92 A V E +G 69 0C 81 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.3 -0.436 53.9 165.6 -70.3 150.1 -27.5 -5.8 2.4 89 93 A c E -G 68 0C 31 -21,-1.5 -21,-0.7 1,-0.1 -1,-0.0 -0.923 46.4-114.0-154.7 176.2 -30.1 -3.2 1.9 90 94 A D - 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