==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING, HYDROLASE 11-AUG-05 2ANW . COMPND 2 MOLECULE: PLASMA KALLIKREIN, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.TANG,C.L.YU,S.R.WILLIAMS,E.SPRINGMAN,D.JEFFERY, . 238 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 63.4 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 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.9 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 1 0 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 2 2 3 3 1 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 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 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 118.9 48.3 8.5 43.8 2 17 A V B +A 182 0A 17 180,-2.5 180,-1.9 1,-0.2 134,-0.1 -0.916 360.0 10.1 -99.0 120.3 48.3 6.4 47.0 3 18 A G S S+ 0 0 46 -2,-0.5 -1,-0.2 132,-0.4 2,-0.1 0.595 100.2 124.1 82.1 17.7 46.1 8.1 49.8 4 19 A G - 0 0 20 -3,-0.3 2,-0.3 178,-0.1 -1,-0.2 -0.297 50.9-130.8 -97.2-177.1 44.4 10.7 47.5 5 20 A T E -B 147 0B 90 142,-1.8 142,-1.6 -2,-0.1 -1,-0.0 -0.868 37.3 -75.8-132.5 167.5 40.8 11.5 46.7 6 21 A N E -B 146 0B 100 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.342 46.3-138.2 -68.0 145.3 38.9 12.1 43.6 7 22 A S - 0 0 7 138,-2.3 2,-0.2 55,-0.2 138,-0.1 -0.552 13.5-129.8 -97.8 168.6 39.4 15.4 41.9 8 23 A S > - 0 0 74 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.621 34.3 -77.0-112.0 165.1 36.7 17.6 40.3 9 24 A W T 3 S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.2 99,-0.1 -0.403 116.9 13.4 -57.9 142.6 36.3 19.3 36.9 10 25 A G T 3 S+ 0 0 32 98,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.260 98.0 108.5 74.9 -5.1 38.3 22.4 36.5 11 26 A E S < S+ 0 0 57 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.921 95.0 11.8 -68.9 -49.4 40.4 21.6 39.6 12 27 A W S > S+ 0 0 15 -4,-0.5 3,-1.7 96,-0.1 -1,-0.3 -0.687 75.7 168.0-125.3 71.6 43.7 20.7 37.9 13 28 A P T 3 S+ 0 0 10 0, 0.0 97,-1.0 0, 0.0 47,-0.2 0.556 72.8 60.3 -70.7 -10.4 43.1 21.9 34.3 14 29 A W T 3 S+ 0 0 17 95,-0.2 19,-2.4 97,-0.1 98,-0.2 0.525 78.3 110.4 -87.2 -17.8 46.7 21.6 33.3 15 30 A Q E < +J 32 0C 6 -3,-1.7 45,-0.6 17,-0.2 46,-0.3 -0.408 45.9 178.8 -59.6 132.6 46.8 17.8 34.0 16 31 A V E -JK 31 59C 1 15,-2.1 15,-0.8 43,-0.1 2,-0.5 -0.911 24.2-131.0-131.2 161.9 47.1 15.7 30.8 17 32 A S E -JK 30 58C 0 41,-2.4 41,-2.5 -2,-0.3 2,-0.6 -0.971 11.8-155.1-115.9 124.7 47.3 11.9 30.2 18 33 A L E -JK 29 57C 0 11,-2.9 10,-2.6 -2,-0.5 11,-1.8 -0.891 22.6-179.3 -99.8 120.6 50.0 10.6 27.9 19 34 A Q E -JK 27 56C 11 37,-2.7 37,-2.6 -2,-0.6 2,-0.4 -0.911 20.2-143.7-123.7 146.3 48.9 7.3 26.4 20 35 A V E -JK 26 55C 7 6,-2.7 6,-2.6 -2,-0.4 2,-0.6 -0.886 5.7-152.7-110.6 143.1 50.5 4.8 24.1 21 36 A K E +J 25 0C 101 33,-2.1 4,-0.3 -2,-0.4 2,-0.0 -0.943 41.6 133.9-117.5 104.7 48.6 3.0 21.5 22 37 A L S S- 0 0 108 2,-2.7 3,-0.1 -2,-0.6 -1,-0.0 0.252 89.9 -29.1-119.0-115.1 50.4 -0.3 20.8 23 38 A T S S+ 0 0 160 -2,-0.0 2,-0.2 1,-0.0 -2,-0.0 0.955 146.5 13.4 -71.8 -37.5 48.2 -3.5 20.7 24 38AA A S S- 0 0 44 -4,-0.0 -2,-2.7 2,-0.0 2,-0.5 -0.651 90.9-111.0-117.1 171.5 45.8 -1.7 23.2 25 38BA Q E -J 21 0C 51 -4,-0.3 2,-0.4 -2,-0.2 -4,-0.3 -0.948 42.8-178.1-108.7 121.6 45.9 2.1 24.1 26 39 A R E -J 20 0C 165 -6,-2.6 -6,-2.7 -2,-0.5 2,-0.4 -0.979 36.1-118.8-134.8 134.3 47.0 2.6 27.7 27 40 A H E +J 19 0C 17 -2,-0.4 -8,-0.3 -8,-0.2 3,-0.1 -0.624 41.2 165.3 -55.6 124.3 47.5 5.6 30.1 28 41 A L E - 0 0 64 -10,-2.6 158,-0.3 -2,-0.4 2,-0.3 0.742 58.0 -2.4-104.1 -33.3 51.6 5.5 30.9 29 42 A a E -J 18 0C 6 -11,-1.8 -11,-2.9 158,-0.1 -1,-0.3 -0.964 61.3-116.7-155.5 160.2 52.2 8.9 32.4 30 43 A G E -J 17 0C 0 158,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.310 28.3-174.3 -86.7-177.2 50.9 12.3 33.4 31 44 A G E -J 16 0C 0 -15,-0.8 -15,-2.1 10,-0.1 2,-0.4 -0.947 20.7-123.6-170.1 165.9 52.0 15.7 32.0 32 45 A S E -JL 15 40C 2 8,-2.0 8,-2.8 -2,-0.3 2,-0.4 -0.991 19.6-131.3-132.0 121.3 51.3 19.4 32.6 33 46 A L E + L 0 39C 0 -19,-2.4 79,-2.0 -2,-0.4 6,-0.2 -0.625 30.7 171.2 -69.3 123.0 50.0 21.7 29.9 34 47 A I E - 0 0 27 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.492 62.9 -5.9-117.4 -4.7 52.3 24.8 30.0 35 48 A G E > S- L 0 38C 15 3,-1.2 3,-1.0 75,-0.0 -1,-0.3 -0.926 91.1 -74.9-170.8 173.6 51.2 26.7 26.9 36 49 A H T 3 S+ 0 0 89 -2,-0.3 67,-2.3 1,-0.2 65,-0.1 0.845 130.7 18.5 -52.5 -33.3 48.8 26.2 23.9 37 50 A Q T 3 S+ 0 0 65 65,-0.2 62,-2.5 63,-0.1 2,-0.4 0.257 109.4 81.5-128.7 27.2 51.3 23.8 22.3 38 51 A W E < -LM 35 98C 22 -3,-1.0 -4,-2.5 60,-0.2 -3,-1.2 -0.998 44.6-176.1-138.7 136.3 53.7 22.6 25.0 39 52 A V E -LM 33 97C 1 58,-2.3 58,-3.1 -2,-0.4 2,-0.5 -0.954 16.1-146.4-125.3 139.3 53.3 19.9 27.6 40 53 A L E +LM 32 96C 1 -8,-2.8 -8,-2.0 -2,-0.3 56,-0.2 -0.911 32.0 147.9-106.8 135.6 56.0 19.2 30.2 41 54 A T E - M 0 95C 0 54,-2.8 54,-1.8 -2,-0.5 2,-0.4 -0.742 49.7 -71.7-148.4-169.0 56.6 15.6 31.4 42 55 A A > - 0 0 0 -12,-0.4 3,-1.6 52,-0.3 4,-0.3 -0.827 33.8-136.6 -97.2 134.9 59.3 13.2 32.8 43 56 A A G > S+ 0 0 1 -2,-0.4 3,-1.8 1,-0.3 4,-0.1 0.834 99.1 67.5 -60.7 -31.6 61.8 12.0 30.2 44 57 A H G > S+ 0 0 49 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.706 80.3 79.0 -69.6 -14.1 61.7 8.3 31.5 45 58 A a G < S+ 0 0 8 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.760 96.1 48.6 -59.0 -24.9 58.1 8.1 30.2 46 59 A F G X S+ 0 0 15 -3,-1.8 3,-2.0 -4,-0.3 -1,-0.3 0.436 77.9 132.4 -96.5 3.1 59.7 7.6 26.8 47 60 A D T < S+ 0 0 50 -3,-1.7 -3,-0.0 1,-0.3 -4,-0.0 -0.328 85.0 1.4 -59.3 123.0 62.3 4.9 27.8 48 60AA G T 3 S+ 0 0 75 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.454 105.8 103.9 83.4 -0.2 62.1 2.1 25.2 49 60BA L < - 0 0 42 -3,-2.0 -1,-0.1 1,-0.1 5,-0.0 -0.828 46.3-179.2-116.4 89.5 59.4 3.8 23.0 50 60CA P + 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.344 54.9 64.9 -82.4 7.4 61.3 5.1 20.0 51 61 A L > - 0 0 103 1,-0.1 3,-0.6 -5,-0.1 4,-0.0 -0.987 56.7-156.6-136.2 136.6 58.4 6.8 18.1 52 62 A Q G > S+ 0 0 70 -2,-0.4 3,-2.4 1,-0.2 24,-0.3 0.825 85.7 79.6 -74.5 -27.7 56.2 9.7 18.8 53 65BA D G 3 S+ 0 0 114 1,-0.3 -1,-0.2 22,-0.1 24,-0.0 0.661 85.4 62.6 -55.9 -17.7 53.4 8.5 16.5 54 65CA V G < S+ 0 0 28 -3,-0.6 -33,-2.1 -34,-0.1 2,-0.4 0.418 87.6 96.7 -83.4 -3.4 52.3 6.0 19.1 55 65DA W E < -K 20 0C 3 -3,-2.4 2,-0.4 -35,-0.2 21,-0.4 -0.757 47.5-175.6-102.6 144.7 51.4 8.7 21.6 56 65EA R E -K 19 0C 59 -37,-2.6 -37,-2.7 -2,-0.4 2,-0.5 -0.999 11.7-154.3-130.2 128.5 48.1 10.3 22.3 57 66 A I E -KN 18 74C 2 17,-2.6 17,-3.0 -2,-0.4 2,-0.5 -0.911 7.2-164.8-110.9 129.6 47.7 13.2 24.7 58 67 A Y E +K 17 0C 2 -41,-2.5 -41,-2.4 -2,-0.5 2,-0.3 -0.954 11.4 171.4-115.5 124.5 44.4 13.8 26.5 59 68 A S E +K 16 0C 18 -2,-0.5 -43,-0.1 13,-0.2 50,-0.1 -0.863 58.1 38.6-127.9 159.1 43.6 17.0 28.3 60 69 A G S S+ 0 0 19 -45,-0.6 2,-0.3 48,-0.4 -1,-0.2 0.953 89.8 122.4 67.4 42.5 40.3 18.4 29.9 61 70 A I + 0 0 23 -46,-0.3 -1,-0.3 47,-0.2 3,-0.1 -0.989 39.8 177.0-132.6 156.6 39.5 15.0 31.2 62 71 A L S S+ 0 0 26 -2,-0.3 83,-2.6 1,-0.3 2,-0.5 0.674 73.9 51.0-122.7 -37.2 38.8 13.6 34.6 63 72 A N B > -P 144 0D 30 81,-0.2 3,-1.3 1,-0.1 -1,-0.3 -0.948 59.4-159.6-123.6 115.0 37.9 10.1 33.9 64 73 A L G > S+ 0 0 19 79,-2.2 3,-1.5 -2,-0.5 -1,-0.1 0.793 91.9 61.4 -61.8 -32.9 40.1 7.9 31.8 65 74 A S G 3 S+ 0 0 69 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.722 90.6 70.2 -74.0 -12.8 37.3 5.4 31.1 66 75 A D G < S+ 0 0 108 -3,-1.3 2,-0.4 77,-0.2 -1,-0.3 0.645 76.5 106.2 -65.8 -15.2 35.3 8.2 29.4 67 76 A I < + 0 0 29 -3,-1.5 2,-0.3 -4,-0.2 -9,-0.0 -0.611 42.9 152.1 -77.9 125.3 38.0 8.1 26.6 68 77 A T > - 0 0 77 -2,-0.4 3,-1.7 4,-0.0 -2,-0.0 -0.742 66.9 -79.1-133.4-179.1 36.6 6.5 23.5 69 78 A K T 3 S+ 0 0 198 1,-0.3 -2,-0.1 -2,-0.3 0, 0.0 0.571 129.7 61.5 -63.0 -13.5 37.4 6.8 19.8 70 79 A D T 3 S+ 0 0 139 2,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.689 78.0 104.5 -85.1 -18.6 35.3 10.0 20.0 71 80 A T S < S- 0 0 23 -3,-1.7 2,-0.2 -5,-0.1 -4,-0.0 -0.360 74.7-124.9 -71.6 134.1 37.6 11.7 22.6 72 81 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.524 36.1-179.9 -68.7 150.2 39.7 14.5 21.0 73 82 A F - 0 0 67 -2,-0.2 2,-0.3 -15,-0.1 -15,-0.2 -0.960 24.4-118.4-148.6 159.0 43.5 14.0 21.7 74 83 A S B -N 57 0C 12 -17,-3.0 -17,-2.6 -2,-0.3 2,-0.3 -0.769 22.0-142.5 -99.0 152.3 46.6 15.8 20.8 75 84 A Q - 0 0 91 -2,-0.3 25,-2.5 -19,-0.2 2,-0.4 -0.770 22.8-106.8-112.2 157.4 49.5 14.4 18.8 76 85 A I E +O 99 0C 6 -21,-0.4 23,-0.2 -24,-0.3 3,-0.1 -0.690 28.2 176.9 -85.0 125.9 53.2 14.9 19.3 77 86 A K E S- 0 0 123 21,-3.0 2,-0.3 -2,-0.4 22,-0.2 0.779 76.5 -12.4 -97.9 -35.8 55.0 17.2 16.8 78 87 A E E -O 98 0C 68 20,-1.7 20,-2.9 -26,-0.1 2,-0.4 -0.962 51.7-146.6-164.6 152.5 58.3 16.7 18.8 79 88 A I E -O 97 0C 39 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.958 11.0-164.9-113.7 126.9 59.8 15.5 22.1 80 89 A I E -O 96 0C 23 16,-2.9 16,-2.3 -2,-0.4 2,-0.3 -0.914 9.6-169.2-114.2 100.6 62.8 17.3 23.5 81 90 A I E -O 95 0C 71 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.748 39.3 -95.2 -85.3 141.8 64.4 15.0 26.2 82 91 A H > - 0 0 12 12,-1.8 3,-2.1 -2,-0.3 12,-0.1 -0.357 33.8-123.0 -57.7 135.2 67.0 16.9 28.3 83 92 A Q T 3 S+ 0 0 163 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.754 108.5 46.3 -40.1 -52.8 70.6 16.2 26.8 84 93 A N T 3 S+ 0 0 84 2,-0.1 2,-0.4 8,-0.0 -1,-0.3 0.141 80.6 118.5 -84.2 11.1 72.0 14.8 29.9 85 94 A Y < - 0 0 25 -3,-2.1 2,-0.5 7,-0.1 7,-0.1 -0.717 48.4-161.7 -76.7 136.9 69.1 12.5 30.8 86 95 A K > - 0 0 131 5,-0.5 3,-2.4 -2,-0.4 5,-0.2 -0.990 27.2-104.3-125.4 125.2 70.4 8.9 30.8 87 96 A V T 3 S+ 0 0 88 -2,-0.5 3,-0.1 1,-0.3 -43,-0.1 -0.073 103.8 10.4 -52.1 136.8 67.8 6.0 30.5 88 97 A S T 3 S+ 0 0 96 1,-0.2 -1,-0.3 -44,-0.1 2,-0.2 0.375 109.5 102.6 67.8 -6.1 67.1 4.2 33.7 89 98 A E S < S- 0 0 75 -3,-2.4 -1,-0.2 2,-0.1 -3,-0.1 -0.679 70.9-136.8 -96.8 165.3 69.0 6.9 35.6 90 99 A G > + 0 0 28 -2,-0.2 3,-0.6 -3,-0.1 2,-0.3 0.265 63.5 107.4-108.0 13.8 67.1 9.6 37.5 91 100 A N T 3 S+ 0 0 55 1,-0.2 -5,-0.5 -5,-0.2 3,-0.2 -0.715 88.2 5.8 -94.6 144.4 69.0 12.9 36.7 92 101 A H T 3 S+ 0 0 29 -2,-0.3 2,-1.9 1,-0.2 -10,-0.3 0.882 75.1 175.2 58.0 45.0 67.4 15.4 34.4 93 102 A D < + 0 0 3 -3,-0.6 2,-0.3 -51,-0.1 -1,-0.2 -0.586 37.0 107.6 -86.0 85.4 64.2 13.4 34.2 94 103 A I + 0 0 0 -2,-1.9 -12,-1.8 -52,-0.3 2,-0.3 -0.975 38.0 175.3-163.5 139.9 62.3 16.0 32.1 95 104 A A E -MO 41 81C 0 -54,-1.8 -54,-2.8 -2,-0.3 2,-0.5 -0.986 20.6-137.7-150.2 148.2 61.1 16.3 28.6 96 105 A L E -MO 40 80C 0 -16,-2.3 -16,-2.9 -2,-0.3 2,-0.5 -0.919 12.4-155.3-106.4 141.1 59.1 18.8 26.7 97 106 A I E -MO 39 79C 0 -58,-3.1 -58,-2.3 -2,-0.5 2,-0.5 -0.969 2.3-156.0-116.5 122.0 56.4 17.8 24.2 98 107 A K E -MO 38 78C 22 -20,-2.9 -21,-3.0 -2,-0.5 -20,-1.7 -0.852 22.1-138.4 -89.0 127.1 55.5 20.2 21.4 99 108 A L E - 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