==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-08 3DFL . COMPND 2 MOLECULE: PROSTASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.P.SU,K.W.RICKERT,P.L.DARKE,S.K.MUNSHI . 245 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 58.8 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 . 75 30.6 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 . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.7 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 1 0 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 1 4 1 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 45 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.2 -23.6 5.0 2.9 2 46 A T B +A 188 0A 19 186,-2.8 186,-1.8 1,-0.2 131,-0.1 -0.841 360.0 12.9-102.7 140.9 -25.7 7.5 0.8 3 47 A G S S+ 0 0 46 129,-0.5 -1,-0.2 -2,-0.4 184,-0.1 0.577 104.7 110.3 75.0 11.9 -28.4 6.3 -1.6 4 48 A G - 0 0 32 -3,-0.3 2,-0.3 184,-0.2 143,-0.2 0.059 59.7-122.1 -97.2-155.0 -28.3 2.7 -0.2 5 49 A S E -B 146 0B 62 141,-2.3 141,-2.9 -3,-0.1 2,-0.3 -0.954 32.8 -81.1-149.4 164.6 -30.6 0.6 1.9 6 50 A S E -B 145 0B 64 -2,-0.3 139,-0.3 139,-0.2 138,-0.1 -0.549 42.4-139.1 -70.1 127.2 -30.7 -1.3 5.2 7 51 A A - 0 0 4 137,-3.0 2,-0.3 -2,-0.3 137,-0.1 -0.313 25.1-105.7 -69.4 166.9 -29.1 -4.7 5.1 8 52 A V > - 0 0 103 1,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.748 49.9 -82.9 -91.5 148.9 -30.8 -7.6 6.9 9 53 A A T 3 S+ 0 0 46 -2,-0.3 50,-0.1 1,-0.3 -1,-0.1 -0.252 115.9 10.7 -51.4 130.7 -29.1 -8.7 10.2 10 54 A G T 3 S+ 0 0 29 48,-0.2 -1,-0.3 95,-0.2 49,-0.1 0.408 90.2 119.0 80.0 -1.9 -26.2 -11.1 9.5 11 55 A Q S < S+ 0 0 84 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.809 86.3 29.6 -64.4 -32.3 -26.2 -10.5 5.7 12 56 A W S > S+ 0 0 16 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.604 74.7 171.3-127.2 70.3 -22.6 -9.1 5.8 13 57 A P T 3 S+ 0 0 20 0, 0.0 94,-1.3 0, 0.0 44,-0.4 0.533 72.8 60.4 -70.0 -8.1 -21.1 -11.1 8.7 14 58 A W T 3 S+ 0 0 28 92,-0.2 16,-2.5 94,-0.1 2,-0.3 0.568 79.4 107.5 -85.7 -14.3 -17.6 -9.9 8.1 15 59 A Q E < -J 29 0C 4 -3,-2.2 42,-0.4 14,-0.2 43,-0.4 -0.505 49.3-177.2 -70.9 127.3 -18.5 -6.2 8.5 16 60 A V E -J 28 0C 1 12,-2.3 12,-1.0 -2,-0.3 2,-0.5 -0.879 24.1-129.9-120.9 156.5 -17.1 -4.8 11.8 17 61 A S E -JK 27 55C 2 38,-2.1 38,-2.7 -2,-0.3 2,-0.5 -0.904 19.6-154.4-100.9 132.9 -17.5 -1.4 13.5 18 62 A I E -JK 26 54C 0 8,-3.0 7,-3.0 -2,-0.5 8,-1.6 -0.936 14.4-170.3-110.8 123.5 -14.2 0.2 14.7 19 63 A T E -JK 24 53C 18 34,-2.5 34,-1.9 -2,-0.5 2,-0.4 -0.829 16.6-158.8-115.0 151.2 -14.4 2.6 17.6 20 64 A Y E > S-JK 23 52C 28 3,-2.3 3,-1.5 -2,-0.3 32,-0.2 -0.989 86.7 -11.7-127.1 122.7 -12.0 5.1 19.2 21 65 A E T 3 S- 0 0 139 30,-2.6 31,-0.1 -2,-0.4 -1,-0.1 0.896 132.8 -53.7 50.7 43.8 -12.8 6.2 22.7 22 66 A G T 3 S+ 0 0 61 29,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.391 114.6 113.6 81.4 -3.6 -16.2 4.6 22.3 23 67 A V E < S-J 20 0C 98 -3,-1.5 -3,-2.3 1,-0.0 2,-0.2 -0.890 72.1-115.3-108.6 129.1 -17.1 6.4 19.1 24 68 A H E +J 19 0C 43 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.423 45.8 157.1 -59.3 123.5 -17.6 4.7 15.7 25 69 A V E + 0 0 44 -7,-3.0 167,-0.4 1,-0.3 2,-0.3 0.648 56.0 3.1-118.6 -27.0 -14.9 6.0 13.4 26 70 A a E -J 18 0C 7 -8,-1.6 -8,-3.0 167,-0.1 -1,-0.3 -0.981 59.3-117.5-157.2 160.0 -14.4 3.3 10.6 27 71 A G E +J 17 0C 1 167,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.406 29.9 179.0 -89.2 176.1 -15.5 0.0 9.2 28 72 A G E -J 16 0C 0 -12,-1.0 -12,-2.3 -2,-0.1 2,-0.4 -0.956 22.7-119.2-165.9 173.8 -13.4 -3.1 8.8 29 73 A S E -JL 15 37C 0 8,-2.7 8,-3.0 -2,-0.3 2,-0.3 -0.984 18.3-130.7-130.9 123.1 -13.5 -6.7 7.6 30 74 A L E + L 0 36C 0 -16,-2.5 79,-2.4 -2,-0.4 6,-0.2 -0.531 29.8 169.7 -64.2 128.0 -13.0 -9.9 9.6 31 75 A V - 0 0 23 4,-2.6 2,-0.3 1,-0.3 5,-0.2 0.501 62.4 -10.7-121.8 -11.8 -10.6 -12.1 7.7 32 76 A S S S- 0 0 26 3,-1.4 -1,-0.3 75,-0.1 3,-0.1 -0.926 89.9 -68.2-164.3-168.5 -9.9 -14.9 10.3 33 77 A E S S+ 0 0 99 -2,-0.3 67,-2.7 1,-0.2 65,-0.1 0.768 130.4 15.3 -63.6 -27.4 -10.4 -15.7 14.0 34 78 A Q S S+ 0 0 42 65,-0.2 62,-2.6 63,-0.0 2,-0.4 0.347 111.3 82.5-130.5 4.3 -8.0 -13.0 15.2 35 79 A W E - M 0 95C 7 60,-0.2 -4,-2.6 -3,-0.1 -3,-1.4 -0.943 43.5-177.4-126.5 138.5 -7.5 -10.6 12.3 36 80 A V E -LM 30 94C 0 58,-2.1 58,-2.8 -2,-0.4 2,-0.4 -0.973 17.6-142.7-125.3 140.0 -9.5 -7.7 10.8 37 81 A L E +LM 29 93C 0 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.2 -0.899 34.5 145.0-103.8 134.5 -8.6 -5.6 7.7 38 82 A S E - M 0 92C 0 54,-2.3 54,-2.6 -2,-0.4 2,-0.4 -0.760 51.1 -69.1-146.1-168.1 -9.2 -1.9 7.7 39 83 A A > - 0 0 0 -12,-0.4 3,-1.5 52,-0.3 52,-0.3 -0.767 31.5-135.5 -96.2 140.5 -7.7 1.3 6.3 40 84 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.834 102.3 65.4 -60.9 -34.5 -4.4 2.7 7.7 41 85 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 43,-0.1 44,-0.1 0.633 89.0 68.4 -67.0 -12.1 -5.7 6.2 7.8 42 86 A a G < S+ 0 0 10 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.554 99.1 54.8 -78.1 -8.7 -8.2 5.1 10.5 43 87 A F S < S- 0 0 15 -3,-2.1 -1,-0.2 -4,-0.1 6,-0.0 -0.622 73.9-170.1-129.9 71.4 -5.3 4.6 12.9 44 88 A P > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 -3,-0.0 -0.302 33.5-116.6 -63.7 149.1 -3.2 7.7 13.3 45 89 A S T 3 S+ 0 0 124 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.751 111.2 59.6 -60.4 -27.1 0.1 7.2 15.2 46 90 A E T 3 S+ 0 0 132 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.618 84.9 98.2 -79.3 -13.1 -0.8 9.5 18.0 47 91 A H S < S- 0 0 65 -3,-1.7 2,-0.5 1,-0.1 5,-0.0 -0.489 79.4-118.0 -75.4 145.0 -3.9 7.4 18.9 48 92 A H > - 0 0 109 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.745 8.5-142.6 -89.1 128.8 -3.6 4.9 21.7 49 93 A K G > S+ 0 0 82 -2,-0.5 3,-1.4 1,-0.3 24,-0.5 0.816 99.9 61.1 -54.0 -35.9 -4.1 1.3 20.8 50 94 A E G 3 S+ 0 0 151 1,-0.3 -1,-0.3 22,-0.1 -2,-0.0 0.577 95.4 62.7 -71.9 -10.4 -5.9 0.6 24.2 51 95 A A G < S+ 0 0 24 -3,-1.9 -30,-2.6 -30,-0.1 -29,-0.6 0.489 88.0 92.4 -92.3 -5.0 -8.7 3.2 23.2 52 96 A Y E < -K 20 0C 2 -3,-1.4 21,-0.5 -4,-0.3 2,-0.3 -0.632 50.5-176.7 -91.2 145.9 -9.8 1.1 20.2 53 97 A E E -K 19 0C 81 -34,-1.9 -34,-2.5 -2,-0.3 2,-0.4 -0.959 15.8-148.6-132.9 159.5 -12.6 -1.4 20.0 54 98 A V E -KN 18 71C 0 17,-2.9 17,-2.9 -2,-0.3 2,-0.6 -0.997 10.5-159.1-124.1 124.4 -13.9 -3.8 17.3 55 99 A K E -KN 17 70C 48 -38,-2.7 -38,-2.1 -2,-0.4 2,-0.3 -0.924 14.3-173.3-106.1 121.4 -17.6 -4.7 17.4 56 100 A L E + N 0 69C 2 13,-3.3 13,-2.4 -2,-0.6 -40,-0.1 -0.766 58.8 24.9-112.0 156.4 -18.5 -7.9 15.4 57 101 A G S S+ 0 0 8 -42,-0.4 2,-0.3 48,-0.4 -1,-0.2 0.726 84.9 143.4 67.4 24.7 -21.8 -9.5 14.6 58 102 A A + 0 0 15 -43,-0.4 -1,-0.2 -3,-0.3 -48,-0.2 -0.699 26.5 165.3 -97.7 148.2 -23.8 -6.2 14.8 59 103 A H S S+ 0 0 37 1,-0.4 85,-1.1 -2,-0.3 2,-0.7 0.602 80.4 32.8-116.6 -66.6 -26.7 -5.0 12.7 60 104 A Q B > S-P 143 0D 76 83,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.875 74.2-156.8 -93.1 113.1 -28.1 -2.0 14.6 61 105 A L T 3 S+ 0 0 20 81,-2.1 81,-0.2 -2,-0.7 -1,-0.2 0.851 90.4 45.9 -60.0 -39.1 -25.2 -0.4 16.3 62 106 A D T 3 S+ 0 0 88 79,-2.0 -1,-0.2 -3,-0.1 2,-0.2 0.587 99.7 87.5 -83.1 -10.3 -27.3 1.3 19.0 63 107 A S S < S- 0 0 40 -3,-0.9 2,-0.3 78,-0.6 -4,-0.1 -0.620 81.9-113.7 -91.4 147.3 -29.3 -1.8 19.8 64 108 A Y + 0 0 217 -2,-0.2 2,-0.3 -6,-0.0 -2,-0.1 -0.593 37.3 179.8 -76.1 140.6 -28.4 -4.5 22.2 65 109 A S - 0 0 36 -2,-0.3 3,-0.3 1,-0.1 -7,-0.0 -0.984 33.4-154.6-144.7 130.1 -27.7 -7.9 20.7 66 110 A E S S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.614 101.4 59.4 -73.0 -12.8 -26.7 -11.2 22.2 67 111 A D S S+ 0 0 54 -10,-0.1 -1,-0.2 2,-0.0 38,-0.1 0.743 87.4 89.6 -87.6 -26.7 -25.1 -12.0 18.8 68 112 A A - 0 0 20 -3,-0.3 2,-0.4 -13,-0.0 -11,-0.2 -0.413 57.6-166.1 -71.3 146.8 -22.7 -9.0 18.8 69 113 A K E -N 56 0C 102 -13,-2.4 -13,-3.3 -2,-0.1 2,-0.4 -0.988 6.8-150.1-132.5 142.7 -19.2 -9.3 20.4 70 114 A V E +N 55 0C 77 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.955 16.9 179.5-117.7 135.0 -16.8 -6.6 21.3 71 115 A S E -N 54 0C 17 -17,-2.9 -17,-2.9 -2,-0.4 2,-0.2 -0.929 19.3-141.5-128.2 152.5 -13.0 -6.9 21.2 72 116 A T - 0 0 60 -2,-0.3 25,-2.6 -19,-0.2 2,-0.4 -0.522 35.0-100.4 -96.3 177.7 -9.9 -4.7 22.0 73 117 A L E -O 96 0C 9 -24,-0.5 23,-0.3 -21,-0.5 3,-0.1 -0.854 22.6-172.5-110.2 138.3 -6.7 -4.9 19.9 74 118 A K E S+ 0 0 117 21,-2.7 2,-0.3 -2,-0.4 22,-0.2 0.719 81.5 5.0 -85.6 -32.4 -3.4 -6.6 20.6 75 119 A D E -O 95 0C 59 20,-1.4 20,-2.2 -26,-0.1 2,-0.4 -0.993 53.1-154.2-155.9 149.5 -1.7 -4.9 17.5 76 120 A I E -O 94 0C 33 -2,-0.3 18,-0.2 18,-0.2 -27,-0.0 -0.990 17.8-175.0-126.6 117.8 -2.3 -2.4 14.8 77 121 A I E -O 93 0C 21 16,-3.3 16,-2.7 -2,-0.4 2,-0.1 -0.791 1.2-174.2-123.4 89.2 -0.2 -3.0 11.6 78 122 A P E -O 92 0C 58 0, 0.0 14,-0.2 0, 0.0 12,-0.1 -0.453 43.7 -92.3 -71.3 150.7 -0.5 -0.3 8.9 79 123 A H > - 0 0 37 12,-2.3 3,-1.8 10,-0.5 12,-0.1 -0.489 34.0-125.6 -61.6 135.8 1.3 -1.1 5.6 80 124 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.739 106.4 63.3 -54.9 -27.9 4.9 0.5 5.8 81 125 A S T 3 S+ 0 0 35 8,-0.0 2,-0.2 6,-0.0 7,-0.2 0.659 76.7 109.9 -74.7 -16.1 4.3 2.4 2.6 82 126 A Y < + 0 0 45 -3,-1.8 7,-0.1 7,-0.4 3,-0.1 -0.434 31.6 149.7 -66.7 127.6 1.4 4.4 4.0 83 127 A L - 0 0 131 1,-0.4 2,-0.2 5,-0.4 -1,-0.1 0.637 54.0 -5.1-116.3 -78.6 2.3 8.1 4.5 84 128 A Q S > S- 0 0 143 1,-0.1 3,-2.0 4,-0.1 -1,-0.4 -0.598 88.9 -62.2-118.5 175.9 -0.5 10.8 4.2 85 129 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.444 124.8 21.5 -59.7 120.7 -4.2 10.9 3.2 86 130 A G T 3 S+ 0 0 18 1,-0.3 -1,-0.2 -2,-0.3 88,-0.2 0.176 95.8 124.5 104.4 -16.3 -4.5 9.8 -0.4 87 131 A S < - 0 0 22 -3,-2.0 3,-0.3 1,-0.1 -1,-0.3 -0.214 66.7 -94.0 -73.6 165.2 -1.2 7.8 -0.5 88 132 A Q S S+ 0 0 86 1,-0.2 -5,-0.4 -7,-0.2 -1,-0.1 -0.280 101.2 50.5 -69.3 163.9 -0.8 4.2 -1.5 89 133 A G + 0 0 0 1,-0.2 2,-2.1 -7,-0.1 -10,-0.5 0.744 60.1 159.8 77.1 27.1 -0.7 1.4 1.1 90 134 A D + 0 0 1 -3,-0.3 2,-0.3 -51,-0.1 138,-0.2 -0.497 38.8 104.6 -81.7 72.7 -3.9 2.6 2.9 91 135 A I - 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