==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-09 3GYL . COMPND 2 MOLECULE: PROSTASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SPRAGGON,M.HORNSBY,A.SHIPWAY,J.L.HARRIS,S.A.LESLEY . 247 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 14 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.5 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+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 0 0 1 0 0 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 2 2 2 3 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 . 0 0 0 0 0 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 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 16 B I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 126.8 8.3 -10.1 -17.7 2 17 B T B +A 188 0A 19 186,-3.2 186,-1.9 1,-0.2 131,-0.1 -0.883 360.0 12.7-108.8 135.2 5.8 -12.2 -19.7 3 18 B G S S+ 0 0 50 129,-0.4 -1,-0.2 -2,-0.4 184,-0.1 0.592 103.7 106.5 83.1 11.8 7.0 -14.8 -22.2 4 19 B G - 0 0 31 -3,-0.2 2,-0.3 184,-0.2 143,-0.2 0.025 61.9-119.1-100.3-153.5 10.7 -14.7 -21.0 5 20 B S E -B 146 0B 61 141,-2.3 141,-2.7 -3,-0.1 2,-0.3 -0.932 33.4 -81.4-143.8 166.9 12.8 -17.1 -19.0 6 21 B S E -B 145 0B 60 -2,-0.3 139,-0.3 139,-0.2 138,-0.1 -0.590 40.8-141.4 -68.3 130.9 14.6 -17.2 -15.7 7 22 B A - 0 0 3 137,-2.9 2,-0.3 -2,-0.3 3,-0.0 -0.276 24.4-108.6 -70.4 174.5 18.0 -15.6 -15.8 8 23 B V > - 0 0 99 1,-0.1 3,-2.3 135,-0.1 4,-0.3 -0.815 45.1 -82.8-103.8 151.8 20.8 -17.3 -13.8 9 24 B A T 3 S+ 0 0 50 -2,-0.3 50,-0.1 1,-0.3 -1,-0.1 -0.214 116.0 15.1 -53.8 135.4 22.1 -15.7 -10.7 10 25 B G T 3 S+ 0 0 32 48,-0.2 -1,-0.3 95,-0.2 49,-0.1 0.414 91.5 113.6 85.7 -5.2 24.7 -13.0 -11.5 11 26 B Q S < S+ 0 0 79 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.833 88.2 25.7 -69.1 -33.1 23.8 -12.8 -15.2 12 27 B W S > S+ 0 0 15 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.658 74.3 170.8-128.9 68.6 22.5 -9.2 -15.0 13 28 B P T 3 S+ 0 0 18 0, 0.0 94,-1.5 0, 0.0 44,-0.3 0.552 71.3 61.0 -78.7 1.4 24.4 -7.9 -12.0 14 29 B W T 3 S+ 0 0 25 92,-0.2 16,-2.5 94,-0.1 2,-0.3 0.566 78.5 110.6 -88.2 -11.6 23.3 -4.3 -12.5 15 30 B Q E < -J 29 0C 5 -3,-2.1 42,-0.5 14,-0.2 43,-0.4 -0.461 48.0-176.5 -71.7 131.0 19.7 -5.2 -12.0 16 31 B V E -JK 28 56C 2 12,-2.5 12,-1.2 -2,-0.3 2,-0.5 -0.869 23.3-132.4-124.8 154.6 18.2 -3.8 -8.8 17 32 B S E -JK 27 55C 1 38,-2.3 38,-2.9 -2,-0.3 2,-0.5 -0.929 18.3-156.6-100.2 129.8 14.9 -4.1 -7.1 18 33 B I E -JK 26 54C 0 8,-3.0 7,-3.0 -2,-0.5 8,-1.8 -0.930 13.1-170.5-110.8 127.6 13.3 -0.9 -5.9 19 34 B T E -JK 24 53C 19 34,-2.8 34,-1.9 -2,-0.5 2,-0.4 -0.864 15.2-156.5-114.8 155.1 10.8 -1.3 -3.1 20 35 B Y E > S-JK 23 52C 24 3,-2.6 3,-2.0 -2,-0.3 32,-0.2 -0.997 85.9 -10.5-130.4 121.8 8.4 1.2 -1.5 21 36 B E T 3 S- 0 0 135 30,-2.5 31,-0.1 -2,-0.4 -1,-0.1 0.873 133.2 -54.0 51.5 40.4 7.2 0.4 2.0 22 38 B G T 3 S+ 0 0 61 29,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.382 115.0 112.6 82.6 -2.4 8.8 -3.0 1.6 23 39 B V E < S-J 20 0C 94 -3,-2.0 -3,-2.6 0, 0.0 2,-0.2 -0.904 72.8-115.9-107.2 129.9 7.0 -3.9 -1.6 24 40 B H E +J 19 0C 40 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.452 45.5 158.3 -57.7 126.1 8.8 -4.3 -4.9 25 41 B V E + 0 0 53 -7,-3.0 167,-0.3 1,-0.3 2,-0.3 0.611 55.9 4.5-121.2 -26.6 7.5 -1.6 -7.3 26 42 B a E -J 18 0C 6 -8,-1.8 -8,-3.0 167,-0.1 -1,-0.3 -0.967 59.6-118.5-153.4 163.0 10.2 -1.1 -10.0 27 43 B G E +J 17 0C 0 167,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.473 29.4 177.9 -92.3 173.7 13.5 -2.2 -11.4 28 44 B G E -J 16 0C 0 -12,-1.2 -12,-2.5 -2,-0.2 2,-0.4 -0.944 23.6-118.1-161.7 178.7 16.6 -0.1 -11.7 29 45 B S E -JL 15 37C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.3 -0.994 19.2-129.2-133.4 122.2 20.1 -0.3 -12.9 30 46 B L E + L 0 36C 0 -16,-2.5 79,-2.5 -2,-0.4 6,-0.3 -0.579 29.5 170.2 -66.3 127.7 23.3 0.2 -10.9 31 47 B V - 0 0 25 4,-2.8 2,-0.3 -2,-0.3 5,-0.2 0.494 62.7 -8.1-120.4 -8.7 25.6 2.6 -12.6 32 48 B S S S- 0 0 28 3,-1.4 -1,-0.2 75,-0.1 68,-0.1 -0.926 90.2 -72.1-163.3-170.2 28.3 3.3 -10.0 33 49 B E S S+ 0 0 102 -2,-0.3 67,-2.8 1,-0.2 65,-0.1 0.700 130.2 17.0 -67.4 -19.9 29.1 2.5 -6.3 34 50 B Q S S+ 0 0 15 65,-0.2 62,-2.8 1,-0.1 2,-0.4 0.387 111.4 78.4-136.7 6.9 26.4 4.9 -5.1 35 51 B W E - M 0 95C 2 60,-0.2 -4,-2.8 -3,-0.1 -3,-1.4 -0.951 44.9-177.4-130.3 142.7 24.1 5.7 -8.0 36 52 B V E -LM 30 94C 0 58,-2.4 58,-3.0 -2,-0.4 2,-0.5 -0.964 16.7-142.0-127.1 145.2 21.2 3.8 -9.7 37 53 B L E +LM 29 93C 0 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.2 -0.918 33.2 146.5-106.5 134.8 19.1 4.8 -12.7 38 54 B S E - M 0 92C 0 54,-2.5 54,-2.4 -2,-0.5 2,-0.4 -0.688 50.5 -69.2-142.4-163.8 15.4 4.1 -12.8 39 55 B A > - 0 0 0 -12,-0.4 3,-1.6 52,-0.3 52,-0.3 -0.784 30.1-132.7 -96.3 144.3 12.3 5.7 -14.3 40 56 B A G > S+ 0 0 3 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.837 103.9 67.7 -60.9 -30.8 10.9 8.9 -13.0 41 57 B H G 3 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.708 89.8 64.9 -66.1 -14.8 7.4 7.4 -12.9 42 58 B a G < S+ 0 0 8 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.505 98.2 58.4 -80.5 -4.2 8.6 5.1 -10.1 43 58AB F S < S- 0 0 18 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.1 -0.530 71.0-176.0-128.3 66.5 9.1 8.2 -7.9 44 58BB P > - 0 0 42 0, 0.0 3,-1.4 0, 0.0 -3,-0.0 -0.242 35.0-119.1 -63.8 149.6 5.8 10.1 -7.5 45 58CB S T 3 S+ 0 0 119 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.821 109.9 61.9 -61.9 -28.8 6.1 13.2 -5.5 46 58DB E T 3 S+ 0 0 131 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.725 86.8 95.9 -75.2 -17.5 3.7 12.1 -2.8 47 58EB H S < S- 0 0 63 -3,-1.4 2,-0.5 1,-0.1 3,-0.0 -0.366 78.4-120.2 -73.2 155.1 6.0 9.2 -1.9 48 58FB H > - 0 0 116 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.783 6.8-142.8-101.3 127.2 8.4 9.5 0.9 49 58GB K G > S+ 0 0 89 -2,-0.5 3,-1.7 1,-0.3 24,-0.4 0.866 99.3 59.2 -53.5 -43.3 12.1 9.1 0.2 50 58HB E G 3 S+ 0 0 179 1,-0.3 -1,-0.3 22,-0.1 -3,-0.0 0.601 96.6 63.9 -68.5 -11.4 12.7 7.2 3.5 51 63 B A G < S+ 0 0 23 -3,-1.8 -30,-2.5 -30,-0.1 -29,-0.6 0.511 86.1 90.2 -91.9 -1.7 10.3 4.5 2.5 52 64 B Y E < -K 20 0C 3 -3,-1.7 21,-0.4 -4,-0.3 2,-0.3 -0.626 49.8-178.2 -91.8 150.2 12.3 3.3 -0.5 53 65 B E E -K 19 0C 83 -34,-1.9 -34,-2.8 -2,-0.2 2,-0.4 -0.962 15.7-147.5-135.2 161.5 14.9 0.6 -0.6 54 66 B V E -KN 18 71C 0 17,-2.7 17,-2.4 -2,-0.3 2,-0.6 -0.997 9.4-156.7-127.0 129.1 17.1 -0.8 -3.3 55 67 B K E -KN 17 70C 51 -38,-2.9 -38,-2.3 -2,-0.4 2,-0.3 -0.940 15.0-174.4-109.5 124.5 18.1 -4.4 -3.3 56 68 B L E +KN 16 69C 2 13,-3.3 13,-2.5 -2,-0.6 -40,-0.1 -0.779 59.3 28.8-113.7 154.3 21.2 -5.3 -5.2 57 69 B G S S+ 0 0 7 -42,-0.5 2,-0.2 48,-0.3 -1,-0.2 0.663 84.0 144.0 77.1 15.0 22.9 -8.6 -6.0 58 70 B A + 0 0 14 -43,-0.4 -1,-0.2 -3,-0.2 -48,-0.2 -0.607 25.5 164.0 -94.3 147.7 19.6 -10.5 -6.0 59 71 B H S S+ 0 0 39 1,-0.4 85,-1.3 -2,-0.2 2,-0.8 0.569 81.9 30.5-116.9 -66.4 18.5 -13.4 -8.1 60 72 B Q B > S-P 143 0D 76 83,-0.3 3,-1.7 1,-0.2 -1,-0.4 -0.857 77.5-153.7 -92.7 109.9 15.5 -14.9 -6.3 61 73 B L T 3 S+ 0 0 17 81,-2.3 81,-0.2 -2,-0.8 -1,-0.2 0.837 90.2 44.5 -56.9 -37.5 13.9 -11.9 -4.6 62 74 B D T 3 S+ 0 0 85 79,-2.3 2,-0.3 -3,-0.1 -1,-0.3 0.465 96.7 94.9 -88.9 0.7 12.3 -13.9 -1.8 63 75 B S S < S- 0 0 38 -3,-1.7 2,-0.2 78,-0.5 -4,-0.1 -0.673 81.2-107.8 -93.8 146.1 15.3 -16.1 -1.1 64 76 B Y + 0 0 191 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.487 44.6 175.8 -58.2 132.4 17.9 -15.6 1.5 65 77 B S - 0 0 44 -2,-0.2 3,-0.4 1,-0.1 -7,-0.0 -0.944 34.6-158.9-145.9 132.7 21.2 -14.6 -0.1 66 78 B E S S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.615 97.1 57.8 -79.8 -9.0 24.4 -13.6 1.4 67 79 B D S S+ 0 0 67 -10,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.676 86.9 90.3 -93.7 -20.2 25.3 -11.9 -1.8 68 80 B A - 0 0 18 -3,-0.4 2,-0.3 -13,-0.0 -11,-0.2 -0.486 57.4-164.8 -78.2 152.9 22.4 -9.5 -1.9 69 81 B K E -N 56 0C 113 -13,-2.5 -13,-3.3 -2,-0.1 2,-0.4 -0.987 6.5-150.8-138.0 139.6 22.6 -6.1 -0.3 70 82 B V E +N 55 0C 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.946 17.2 178.6-119.5 139.7 19.8 -3.6 0.6 71 83 B S E -N 54 0C 17 -17,-2.4 -17,-2.7 -2,-0.4 2,-0.2 -0.958 21.3-137.8-131.7 150.4 20.2 0.2 0.7 72 84 B T - 0 0 60 -2,-0.3 25,-2.6 -19,-0.2 2,-0.4 -0.447 33.2-108.0 -92.2 179.1 18.1 3.2 1.4 73 85 B L E -O 96 0C 9 -21,-0.4 23,-0.3 -24,-0.4 3,-0.1 -0.904 22.9-173.9-113.3 137.4 18.3 6.4 -0.7 74 86 B K E S+ 0 0 95 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.649 80.2 19.9 -98.5 -13.9 19.8 9.7 0.2 75 87 B D E -O 95 0C 49 20,-1.6 20,-2.7 -26,-0.1 2,-0.4 -0.993 54.3-167.2-153.4 141.6 18.6 11.5 -3.0 76 88 B I E -O 94 0C 36 -2,-0.3 18,-0.2 18,-0.2 -27,-0.0 -0.994 13.4-177.2-128.1 120.6 16.0 10.9 -5.7 77 89 B I E -O 93 0C 20 16,-2.9 16,-2.5 -2,-0.4 2,-0.1 -0.798 4.1-170.9-125.6 88.0 16.5 13.0 -8.8 78 90 B P E -O 92 0C 56 0, 0.0 14,-0.3 0, 0.0 12,-0.1 -0.486 43.6 -94.8 -69.0 148.8 13.9 12.7 -11.5 79 91 B H > - 0 0 31 12,-2.8 3,-2.0 10,-0.5 12,-0.1 -0.433 35.1-126.2 -62.2 138.5 14.7 14.5 -14.6 80 92 B P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.713 104.2 65.0 -65.7 -15.4 13.0 17.9 -14.4 81 93 B S T 3 S+ 0 0 29 8,-0.1 2,-0.7 6,-0.0 7,-0.2 0.584 73.1 106.7 -79.8 -7.6 11.3 17.5 -17.7 82 94 B Y < + 0 0 45 -3,-2.0 7,-0.1 7,-0.4 3,-0.1 -0.617 39.0 160.8 -77.1 118.8 9.2 14.6 -16.4 83 95 B L - 0 0 138 -2,-0.7 2,-0.3 5,-0.4 -1,-0.2 0.798 52.9 -24.4-112.0 -34.2 5.7 16.1 -16.0 84 96 B Q S > S- 0 0 140 4,-0.2 3,-2.5 0, 0.0 -1,-0.4 -0.948 92.2 -40.1-170.1 171.9 3.1 13.3 -15.9 85 97 B E T 3 S+ 0 0 145 -2,-0.3 -2,-0.0 1,-0.3 5,-0.0 -0.221 127.7 16.8 -49.6 127.6 2.4 9.7 -16.9 86 98 B G T 3 S+ 0 0 14 1,-0.3 -1,-0.3 85,-0.1 88,-0.2 0.266 94.8 140.0 90.8 -10.0 3.8 9.2 -20.5 87 99 B S < - 0 0 15 -3,-2.5 3,-0.3 1,-0.1 -1,-0.3 -0.186 58.2-106.5 -61.6 152.9 6.0 12.3 -20.4 88 100 B Q S S+ 0 0 92 -7,-0.2 -5,-0.4 1,-0.2 -4,-0.2 -0.253 100.7 56.3 -62.0 169.5 9.5 12.6 -21.9 89 101 B G + 0 0 0 1,-0.2 2,-2.3 -7,-0.1 -10,-0.5 0.754 62.6 160.7 75.4 24.2 12.2 12.7 -19.2 90 102 B D + 0 0 0 -3,-0.3 2,-0.3 -9,-0.1 138,-0.2 -0.456 37.4 100.8 -84.3 72.5 11.2 9.4 -17.6 91 103 B I - 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