==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T2N . COMPND 2 MOLECULE: SERINE PROTEASE HEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KOSCHUBS,S.DENGL,H.DUERR,K.KALUZA,G.GEORGES,C.HARTL,S.JENN . 1505 16 22 18 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 977 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 529 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 139 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 5 0 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 20 14 21 17 16 15 4 3 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 8 6 0 0 3 1 1 0 0 0 2 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 48 A Q 0 0 134 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.4 26.8 -42.2 -1.7 2 49 A E + 0 0 87 1,-0.1 292,-0.1 346,-0.0 346,-0.1 -0.903 360.0 178.7-110.7 87.3 29.7 -44.4 -0.8 3 50 A P S S+ 0 0 12 0, 0.0 2,-0.4 0, 0.0 293,-0.3 0.698 71.2 49.9 -67.8 -16.8 31.1 -42.8 2.4 4 51 A L S S- 0 0 22 291,-0.1 291,-0.1 343,-0.1 290,-0.1 -0.991 85.5-128.9-129.3 120.6 33.7 -45.6 2.7 5 52 A Y - 0 0 11 289,-2.4 41,-0.0 -2,-0.4 14,-0.0 -0.403 21.4-122.0 -66.6 141.1 36.1 -46.7 -0.2 6 53 A P S S+ 0 0 3 0, 0.0 13,-2.9 0, 0.0 2,-0.4 0.464 97.0 64.2 -68.9 0.3 36.3 -50.5 -1.0 7 54 A V E +A 18 0A 1 11,-0.2 2,-0.3 38,-0.1 11,-0.2 -0.993 68.4 178.5-124.0 129.4 40.1 -50.6 -0.4 8 55 A Q E -A 17 0A 3 9,-3.1 9,-3.3 -2,-0.4 2,-0.4 -0.977 21.1-154.3-132.8 147.0 41.5 -49.8 3.1 9 56 A V E -A 16 0A 34 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.964 33.5-113.9-119.1 131.1 44.9 -49.7 4.7 10 57 A S - 0 0 32 5,-1.7 4,-0.2 -2,-0.4 91,-0.1 -0.413 9.5-151.8 -71.4 143.2 45.0 -50.3 8.5 11 58 A S S S+ 0 0 125 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.650 97.6 37.1 -82.9 -21.3 46.1 -47.5 11.0 12 59 A A S S+ 0 0 90 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.836 138.8 8.6-100.3 -48.5 47.4 -50.1 13.5 13 60 A D S S- 0 0 78 2,-0.1 -2,-0.1 88,-0.0 49,-0.0 0.421 90.8-125.9-115.2 -5.7 49.1 -53.0 11.4 14 61 A A + 0 0 15 1,-0.2 87,-2.2 -4,-0.2 41,-0.1 0.592 52.1 162.7 65.2 19.6 48.9 -51.3 7.9 15 62 A R B -J 100 0B 9 85,-0.3 -5,-1.7 -6,-0.1 2,-0.3 -0.377 41.1-116.3 -69.5 142.9 47.1 -54.3 6.6 16 63 A L E -A 9 0A 0 83,-2.3 13,-0.7 -7,-0.2 2,-0.4 -0.622 29.6-167.7 -82.3 135.4 45.2 -54.0 3.3 17 64 A M E -AB 8 28A 22 -9,-3.3 -9,-3.1 -2,-0.3 2,-0.4 -0.993 2.3-170.3-131.7 119.3 41.4 -54.5 3.5 18 65 A V E -AB 7 27A 0 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.947 18.2-130.9-116.4 131.7 39.3 -55.0 0.4 19 66 A F E - B 0 26A 38 -13,-2.9 2,-0.9 -2,-0.4 7,-0.2 -0.670 3.7-144.7 -87.2 134.1 35.4 -54.9 0.4 20 67 A D E >> - B 0 25A 10 5,-3.4 4,-1.9 -2,-0.4 5,-1.2 -0.865 15.3-164.7 -95.6 96.9 33.4 -57.6 -1.3 21 68 A K T 45S+ 0 0 106 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.802 85.5 45.1 -53.8 -37.4 30.4 -55.5 -2.6 22 69 A T T 45S+ 0 0 103 1,-0.2 388,-3.6 387,-0.1 389,-0.5 0.811 122.1 35.8 -79.4 -35.9 28.2 -58.5 -3.3 23 70 A E T 45S- 0 0 72 387,-0.2 347,-0.3 -3,-0.2 -2,-0.2 0.541 99.5-132.9 -92.1 -13.4 28.9 -60.4 -0.0 24 71 A G T <5 + 0 0 0 -4,-1.9 346,-1.8 1,-0.2 2,-0.4 0.785 62.9 136.0 61.2 29.2 29.1 -57.1 2.0 25 72 A T E < -BC 20 369A 4 -5,-1.2 -5,-3.4 344,-0.2 2,-0.4 -0.912 54.4-138.1-116.8 138.8 32.4 -58.6 3.5 26 73 A W E -B 19 0A 7 342,-2.2 42,-3.0 -2,-0.4 2,-0.3 -0.740 29.7-174.8 -88.4 132.7 35.8 -57.2 4.2 27 74 A R E -B 18 0A 15 -9,-2.6 -9,-2.5 -2,-0.4 2,-0.3 -0.906 23.9-119.7-129.3 157.9 38.7 -59.5 3.2 28 75 A L E -Bd 17 70A 1 41,-1.6 43,-2.2 -2,-0.3 2,-0.4 -0.712 34.3-111.9 -93.7 146.1 42.5 -59.5 3.5 29 76 A L E - d 0 71A 0 -13,-0.7 70,-2.5 70,-0.4 2,-0.2 -0.708 33.2-121.9 -80.9 127.0 44.7 -59.7 0.4 30 77 A a B -K 98 0B 17 41,-3.3 43,-0.3 -2,-0.4 68,-0.3 -0.486 28.4-112.9 -72.8 134.0 46.5 -63.0 0.1 31 78 A S + 0 0 25 66,-2.4 2,-0.2 -2,-0.2 66,-0.1 -0.423 44.0 167.2 -68.8 140.3 50.4 -62.7 -0.1 32 79 A S > - 0 0 30 -2,-0.1 3,-1.0 40,-0.0 6,-0.0 -0.842 52.9 -89.0-144.5 177.4 52.1 -63.8 -3.4 33 80 A R T 3 S+ 0 0 231 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.549 123.7 55.9 -69.3 -10.3 55.5 -63.6 -5.3 34 81 A S T 3> + 0 0 8 1,-0.1 4,-1.6 2,-0.1 -1,-0.3 -0.226 65.3 132.5-118.0 41.6 54.3 -60.2 -6.8 35 82 A N H <> + 0 0 17 -3,-1.0 4,-2.0 1,-0.2 5,-0.2 0.749 66.8 60.2 -59.7 -36.7 53.7 -58.4 -3.4 36 83 A A H > S+ 0 0 60 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.924 107.6 44.1 -59.6 -49.9 55.6 -55.3 -4.5 37 84 A R H > S+ 0 0 168 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.890 115.1 47.6 -63.0 -47.7 53.2 -54.6 -7.5 38 85 A V H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.829 111.3 51.0 -66.2 -38.6 50.0 -55.3 -5.5 39 86 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 115.6 43.2 -62.0 -47.9 51.2 -53.0 -2.6 40 87 A G H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.894 115.1 49.0 -61.1 -46.6 51.8 -50.3 -5.2 41 88 A L H X S+ 0 0 16 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.871 110.1 51.4 -62.4 -43.5 48.5 -51.1 -7.1 42 89 A S H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.848 110.3 48.0 -64.6 -39.9 46.5 -51.0 -3.8 43 90 A b H <>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 3,-0.4 0.892 111.9 50.7 -66.7 -42.3 47.9 -47.5 -2.7 44 91 A E H ><5S+ 0 0 20 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.842 105.3 56.7 -62.1 -39.5 47.2 -46.1 -6.3 45 92 A E H 3<5S+ 0 0 1 -4,-1.8 183,-2.9 1,-0.3 -1,-0.2 0.785 108.1 47.9 -61.3 -34.6 43.6 -47.4 -6.1 46 93 A M T 3<5S- 0 0 5 -4,-0.9 -1,-0.3 -3,-0.4 181,-0.2 0.356 127.3 -99.8 -89.4 -2.3 43.1 -45.4 -2.9 47 94 A G T < 5S+ 0 0 1 -3,-1.2 178,-2.8 1,-0.4 -3,-0.2 0.465 80.1 132.3 96.6 2.7 44.7 -42.2 -4.5 48 95 A F < - 0 0 3 -5,-2.5 -1,-0.4 176,-0.2 3,-0.1 -0.563 60.0-131.2 -79.7 150.6 48.2 -42.5 -3.0 49 96 A L S S- 0 0 10 91,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.904 75.8 -24.6 -71.9 -38.1 51.0 -42.0 -5.6 50 97 A R - 0 0 83 -7,-0.1 54,-2.1 54,-0.1 2,-0.4 -0.948 64.9 -92.7-160.2 172.0 52.9 -45.2 -4.4 51 98 A A E -L 103 0B 24 -2,-0.3 52,-0.3 52,-0.2 3,-0.1 -0.832 23.2-159.4 -95.5 133.5 53.6 -47.6 -1.7 52 99 A L E S- 0 0 104 50,-2.8 2,-0.3 -2,-0.4 51,-0.2 0.944 74.1 -16.1 -76.3 -52.2 56.7 -46.7 0.5 53 100 A T E -L 102 0B 89 49,-1.1 49,-2.9 -14,-0.1 -1,-0.4 -0.961 62.1-147.1-147.4 158.1 57.2 -50.3 1.8 54 101 A H E -L 101 0B 84 -2,-0.3 2,-0.3 47,-0.3 47,-0.3 -0.884 12.8-160.2-127.7 158.1 55.2 -53.6 2.0 55 102 A S E -L 100 0B 49 45,-3.4 45,-1.8 -2,-0.3 2,-0.5 -0.921 18.5-124.7-138.6 161.0 55.2 -56.4 4.6 56 103 A E E -L 99 0B 105 -2,-0.3 2,-0.3 43,-0.2 43,-0.2 -0.940 31.4-173.7-107.5 120.0 54.2 -60.0 5.1 57 104 A L E -L 98 0B 37 41,-2.1 41,-2.2 -2,-0.5 2,-0.4 -0.905 13.0-144.6-119.1 151.4 51.8 -60.7 8.0 58 105 A D E > -L 97 0B 20 -2,-0.3 4,-2.0 39,-0.2 3,-0.5 -0.932 9.8-145.2-116.7 136.3 50.5 -64.0 9.4 59 106 A V H > S+ 0 0 50 37,-1.6 4,-0.9 -2,-0.4 37,-0.1 0.723 93.9 70.5 -66.2 -34.8 47.0 -64.6 10.8 60 107 A R H 4 S+ 0 0 177 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.907 124.2 7.7 -55.6 -37.7 48.2 -67.0 13.4 61 108 A T H 4 S+ 0 0 123 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.501 125.6 61.8-114.4 -16.1 49.8 -64.2 15.3 62 109 A A H < S- 0 0 18 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.426 94.4-129.2 -95.2 -6.4 48.7 -61.0 13.5 63 110 A G < - 0 0 29 -4,-0.9 -1,-0.2 1,-0.1 -2,-0.1 0.032 7.6-138.2 76.2 171.3 45.0 -61.3 14.1 64 111 A A > + 0 0 37 -4,-0.1 3,-1.2 302,-0.1 2,-0.2 -0.024 43.6 152.3-154.7 32.5 42.3 -61.0 11.5 65 112 A N T 3 + 0 0 130 1,-0.2 302,-0.2 3,-0.0 301,-0.1 -0.503 65.4 26.4 -74.9 135.0 39.7 -58.9 13.4 66 113 A G T 3 S+ 0 0 20 300,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.284 113.6 73.7 96.5 -7.5 37.5 -56.8 11.1 67 114 A T < - 0 0 8 -3,-1.2 2,-0.4 299,-0.5 -1,-0.3 -0.910 60.1-155.6-131.6 159.7 37.8 -59.1 8.1 68 115 A S - 0 0 39 -42,-3.0 299,-0.1 -2,-0.3 -3,-0.0 -0.932 60.2 -26.9-142.4 113.7 36.5 -62.5 7.1 69 116 A G S S- 0 0 41 -2,-0.4 -41,-1.6 -42,-0.1 2,-0.3 -0.259 78.7 -79.3 80.0-166.3 38.3 -64.7 4.6 70 117 A F E -dE 28 91A 25 21,-1.0 21,-2.3 -43,-0.2 2,-0.4 -0.906 13.8-139.9-138.8 163.8 40.6 -63.6 1.8 71 118 A F E -dE 29 90A 11 -43,-2.2 -41,-3.3 -2,-0.3 2,-0.4 -0.955 23.0-150.6-116.9 135.5 41.0 -62.2 -1.8 72 119 A c E - E 0 89A 34 17,-3.4 17,-2.2 -2,-0.4 2,-0.3 -0.873 13.7-124.8-110.5 146.4 43.7 -63.7 -4.1 73 120 A V E - E 0 88A 21 -2,-0.4 2,-0.9 -43,-0.3 15,-0.2 -0.700 12.8-129.3 -92.5 139.2 45.4 -61.7 -6.9 74 121 A D > - 0 0 82 13,-2.3 4,-1.3 -2,-0.3 3,-0.2 -0.814 22.9-167.6 -83.4 101.0 45.5 -62.8 -10.6 75 122 A E T 4 S+ 0 0 72 -2,-0.9 -1,-0.2 1,-0.2 12,-0.0 0.663 83.5 53.8 -71.1 -15.3 49.3 -62.5 -11.1 76 123 A G T 4 S+ 0 0 62 2,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.766 112.8 40.2 -86.2 -33.0 48.8 -62.8 -14.9 77 124 A R T >4 S+ 0 0 153 -3,-0.2 3,-0.6 1,-0.1 -2,-0.2 0.644 99.2 80.6 -88.0 -20.7 46.3 -60.0 -15.2 78 125 A L G >< S+ 0 0 11 -4,-1.3 3,-1.2 1,-0.2 -1,-0.1 0.809 77.8 66.0 -56.0 -44.5 48.2 -57.7 -12.7 79 126 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.834 116.9 23.9 -56.4 -34.7 50.9 -56.4 -15.1 80 127 A H G < S+ 0 0 187 -3,-0.6 2,-0.4 -4,-0.2 -2,-0.2 0.088 94.1 118.9-123.0 31.8 48.5 -54.4 -17.3 81 128 A T < - 0 0 24 -3,-1.2 3,-0.0 -4,-0.1 -3,-0.0 -0.741 43.3-166.1 -94.6 143.2 45.5 -53.9 -14.9 82 129 A Q S S+ 0 0 110 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.358 76.1 51.9 -98.0 -4.4 44.4 -50.3 -14.0 83 130 A R - 0 0 58 1,-0.1 4,-0.2 145,-0.0 -41,-0.1 -0.985 59.7-154.2-137.8 150.7 42.2 -51.7 -11.1 84 131 A L S > S+ 0 0 0 -2,-0.3 3,-0.9 -43,-0.2 4,-0.4 0.797 94.8 62.5 -89.0 -35.5 42.6 -54.0 -8.1 85 132 A L T 3 S+ 0 0 42 1,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.662 101.9 53.4 -67.6 -18.6 38.8 -55.1 -7.9 86 133 A E T 3 S+ 0 0 112 1,-0.1 -1,-0.2 -9,-0.0 -2,-0.1 0.666 109.2 47.0 -86.4 -23.4 39.1 -56.7 -11.4 87 134 A V S < S+ 0 0 5 -3,-0.9 -13,-2.3 -4,-0.2 2,-0.4 0.325 94.7 92.6-103.4 5.6 42.2 -58.9 -10.5 88 135 A I E -E 73 0A 25 -4,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.880 47.8-177.1-112.3 132.3 40.9 -60.3 -7.2 89 136 A S E -E 72 0A 69 -17,-2.2 -17,-3.4 -2,-0.4 2,-0.3 -0.864 39.3 -98.7-117.7 153.3 39.0 -63.6 -6.6 90 137 A V E +E 71 0A 81 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.3 -0.599 59.6 164.3 -72.6 125.8 37.6 -64.9 -3.3 91 138 A c E -E 70 0A 27 -21,-2.3 -21,-1.0 -2,-0.3 2,-0.5 -0.935 44.0-115.2-142.1 166.9 40.2 -67.5 -2.0 92 139 A D - 0 0 138 -2,-0.3 -21,-0.0 -23,-0.1 -2,-0.0 -0.921 24.8-153.2-103.4 123.9 41.4 -69.5 1.0 93 140 A a - 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