==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-06 2HVX . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.N.GRECO,M.J.HAWKINS,E.T.POWELL,H.R ALMOND,L.DE GARAVILLA, . 226 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 4 1.8 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 . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.9 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 2 5 1 2 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 1 1 0 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 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 2 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 107.3 66.0 58.2 6.2 2 17 A I B 3 +A 176 0A 21 174,-1.8 174,-1.5 1,-0.2 130,-0.1 -0.628 360.0 6.0 -86.4 139.9 65.9 61.8 7.2 3 18 A G T 3 S+ 0 0 45 128,-0.5 -1,-0.2 -2,-0.3 172,-0.1 0.835 104.7 116.8 60.0 35.3 65.4 62.8 10.8 4 19 A G < - 0 0 25 -3,-0.7 2,-0.3 140,-0.1 140,-0.2 -0.364 58.9-113.3-115.9-162.8 65.6 59.2 12.0 5 20 A T E -B 143 0B 97 138,-2.6 138,-1.6 -2,-0.1 2,-0.2 -0.978 34.8 -91.1-138.7 151.1 67.8 57.0 14.3 6 21 A E E -B 142 0B 107 -2,-0.3 136,-0.2 136,-0.2 135,-0.1 -0.412 48.6-119.8 -63.3 126.2 70.1 54.1 13.7 7 22 A C - 0 0 4 134,-2.9 -1,-0.1 -2,-0.2 134,-0.1 -0.160 30.1 -96.5 -61.5 158.7 68.2 50.8 14.1 8 23 A K > - 0 0 157 1,-0.1 3,-2.4 2,-0.0 4,-0.2 -0.719 65.4 -87.6 -77.1 116.1 69.2 48.3 16.7 9 24 A P T 3 S- 0 0 67 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 0.116 105.8 -4.4 -30.3 120.5 71.4 46.0 14.6 10 25 A H T 3 S+ 0 0 41 47,-0.2 48,-0.1 2,-0.1 -2,-0.0 0.618 90.2 128.0 66.6 15.8 69.4 43.2 12.9 11 26 A S S < S+ 0 0 42 -3,-2.4 -1,-0.1 1,-0.3 3,-0.1 0.619 74.7 50.3 -76.7 -9.2 66.1 44.3 14.7 12 27 A R S > S+ 0 0 53 -4,-0.2 3,-2.0 1,-0.1 -1,-0.3 -0.600 71.7 173.4-126.9 69.6 64.5 44.4 11.2 13 28 A P T 3 S+ 0 0 39 0, 0.0 93,-1.2 0, 0.0 43,-0.4 0.580 71.4 61.7 -51.2 -22.6 65.5 40.9 9.8 14 29 A Y T 3 S+ 0 0 27 91,-0.2 20,-1.7 93,-0.1 94,-0.1 0.624 75.2 117.5 -84.7 -15.7 63.4 41.2 6.7 15 30 A M B < -I 33 0C 4 -3,-2.0 41,-0.6 18,-0.2 2,-0.4 -0.287 47.2-163.6 -58.3 133.6 65.2 44.2 5.4 16 31 A A E -M 55 0D 0 16,-2.5 2,-0.4 39,-0.1 16,-0.3 -0.983 9.8-150.1-123.5 126.3 67.0 43.7 2.0 17 32 A Y E -M 54 0D 40 37,-2.5 37,-2.5 -2,-0.4 2,-0.5 -0.817 19.1-153.8 -92.6 132.9 69.7 46.0 0.7 18 33 A L E -MN 53 30D 0 12,-2.9 12,-1.4 -2,-0.4 2,-0.7 -0.939 14.0-164.8-117.6 122.4 69.7 46.0 -3.2 19 34 A E E -MN 52 29D 79 33,-2.4 33,-2.3 -2,-0.5 2,-0.5 -0.914 21.1-158.5-101.0 118.9 72.7 46.7 -5.4 20 35 A I E -MN 51 28D 4 8,-3.6 8,-2.3 -2,-0.7 2,-0.5 -0.877 5.9-153.5-108.8 124.8 71.3 47.3 -8.9 21 36 A V E -M 50 0D 58 29,-3.0 28,-3.0 -2,-0.5 29,-1.4 -0.791 14.9-178.3 -97.0 130.0 73.3 47.0 -12.1 22 36AA T - 0 0 44 3,-0.6 3,-0.5 -2,-0.5 26,-0.1 -0.734 32.6-117.3-118.8 169.8 72.4 49.0 -15.2 23 36BA S S S+ 0 0 99 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.968 104.5 28.3 -74.3 -54.4 73.9 49.1 -18.7 24 36CA N S S+ 0 0 156 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.278 116.6 41.0-106.2 50.3 75.1 52.7 -19.0 25 37 A G S S- 0 0 37 -3,-0.5 -3,-0.6 -2,-0.2 3,-0.1 -0.975 84.2 -75.1-178.6 164.4 75.9 53.8 -15.4 26 38 A P - 0 0 118 0, 0.0 -2,-0.1 0, 0.0 -6,-0.0 -0.211 68.0 -76.0 -65.7 161.7 77.4 53.0 -12.0 27 39 A S - 0 0 71 -6,-0.1 2,-0.2 1,-0.1 -6,-0.2 -0.247 45.9-155.7 -63.7 145.0 75.4 50.7 -9.6 28 40 A K E -N 20 0D 147 -8,-2.3 -8,-3.6 -3,-0.1 2,-0.3 -0.703 7.2-142.0-112.6 166.2 72.4 52.1 -7.8 29 41 A F E +N 19 0D 62 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.932 20.2 165.7-133.6 159.8 70.9 50.9 -4.5 30 42 A a E -N 18 0D 10 -12,-1.4 -12,-2.9 -2,-0.3 153,-0.2 -0.949 28.8-116.1-155.8 172.0 67.4 50.4 -2.9 31 43 A G + 0 0 2 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.411 36.1 152.7-104.0-174.0 65.7 48.8 -0.0 32 44 A G - 0 0 0 -16,-0.3 -16,-2.5 -2,-0.2 2,-0.3 -0.934 30.8-111.7 168.3 179.4 63.1 46.0 -0.1 33 45 A F E -IJ 15 41C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.9 -0.991 18.4-113.4-145.2 153.8 61.9 43.1 2.1 34 46 A L E + J 0 40C 0 -20,-1.7 74,-2.6 -2,-0.3 6,-0.2 -0.731 35.7 162.6 -85.0 105.6 61.9 39.4 2.3 35 47 A I E S+ 0 0 2 4,-1.6 2,-0.3 -2,-0.9 75,-0.3 0.609 74.9 18.6 -96.0 -16.7 58.3 38.2 2.0 36 48 A R E > S- J 0 39C 84 3,-1.9 3,-1.6 70,-0.1 -1,-0.2 -0.964 89.3-103.7-147.2 154.7 59.3 34.6 1.1 37 49 A R T 3 S+ 0 0 113 -2,-0.3 62,-3.4 1,-0.3 60,-0.1 0.762 126.4 25.2 -53.9 -23.7 62.6 32.7 1.7 38 50 A N T 3 S+ 0 0 29 60,-0.3 57,-4.1 1,-0.1 2,-0.4 0.209 114.0 77.4-125.6 14.2 63.2 33.2 -2.0 39 51 A F E < -JK 36 94C 5 -3,-1.6 -3,-1.9 55,-0.2 -4,-1.6 -0.985 51.6-171.2-132.6 130.0 61.1 36.3 -2.8 40 52 A V E -JK 34 93C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.951 13.0-146.8-119.3 134.0 61.8 40.0 -2.1 41 53 A L E +JK 33 92C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.818 36.0 136.1 -99.5 138.2 59.3 42.8 -2.5 42 54 A T E - K 0 91C 0 49,-2.6 49,-2.8 -2,-0.4 2,-0.3 -0.839 53.3 -56.2-158.5-168.0 60.6 46.2 -3.6 43 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.682 35.7-135.1 -90.4 139.4 59.9 49.2 -5.9 44 56 A A G > S+ 0 0 1 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.857 103.1 62.2 -58.8 -37.7 59.7 48.7 -9.7 45 57 A H G 3 S+ 0 0 77 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.636 90.6 70.1 -66.9 -8.2 61.8 51.7 -10.5 46 58 A a G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.470 76.4 122.5 -84.9 -0.5 64.6 49.9 -8.7 47 59 A A < + 0 0 25 -3,-2.2 2,-0.2 -4,-0.1 -27,-0.1 -0.181 34.7 160.8 -60.3 151.7 64.7 47.4 -11.6 48 60 A G - 0 0 25 1,-0.1 -26,-0.2 -26,-0.1 3,-0.1 -0.795 56.7 -79.6-152.2-165.6 68.0 46.9 -13.5 49 61 A R S S- 0 0 194 -28,-3.0 2,-0.3 1,-0.4 -27,-0.2 0.917 114.5 -9.3 -72.7 -44.6 69.9 44.6 -15.8 50 63 A S E -M 21 0D 53 -29,-1.4 -29,-3.0 -3,-0.1 -1,-0.4 -0.981 68.4-154.4-150.6 156.1 70.8 42.5 -12.8 51 64 A I E -M 20 0D 5 21,-0.3 21,-1.2 -2,-0.3 2,-0.5 -0.993 4.7-156.0-138.9 143.5 70.4 42.8 -9.0 52 65 A T E -MO 19 71D 49 -33,-2.3 -33,-2.4 -2,-0.3 2,-0.4 -0.975 15.8-151.1-118.8 126.7 72.2 41.4 -5.9 53 66 A V E -MO 18 70D 0 17,-2.6 17,-3.2 -2,-0.5 2,-0.5 -0.792 6.1-164.0-101.3 140.7 70.3 41.2 -2.6 54 67 A T E -MO 17 69D 8 -37,-2.5 -37,-2.5 -2,-0.4 3,-0.3 -0.965 11.2-176.9-125.6 113.5 72.0 41.4 0.8 55 68 A L E +MO 16 68D 0 13,-2.3 13,-1.4 -2,-0.5 -39,-0.1 -0.695 61.4 36.4-104.8 160.2 70.0 40.2 3.8 56 69 A G S S+ 0 0 3 -41,-0.6 2,-0.2 48,-0.4 -1,-0.2 0.627 85.3 140.9 76.6 15.1 71.0 40.3 7.4 57 70 A A + 0 0 6 -42,-0.4 -1,-0.2 -3,-0.3 -47,-0.2 -0.579 25.0 156.6 -97.5 155.8 72.8 43.6 7.1 58 71 A H S S+ 0 0 10 1,-0.2 2,-0.9 -2,-0.2 83,-0.8 0.412 83.8 29.7-129.7 -74.3 73.1 46.7 9.4 59 72 A N B > S-P 140 0E 27 81,-0.2 3,-1.4 3,-0.2 81,-0.2 -0.835 74.6-162.5 -93.6 103.4 76.3 48.5 8.4 60 73 A I T 3 S+ 0 0 29 79,-2.4 -1,-0.1 -2,-0.9 3,-0.1 0.513 81.1 65.3 -67.3 -4.7 76.6 47.6 4.7 61 74 A T T 3 S+ 0 0 94 78,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.683 98.0 58.3 -89.8 -18.1 80.3 48.6 4.5 62 75 A E S < S- 0 0 115 -3,-1.4 -3,-0.2 2,-0.0 -4,-0.2 -0.891 80.1-140.5-120.2 106.5 81.4 45.8 6.9 63 77 A E + 0 0 155 -2,-0.6 2,-0.3 -3,-0.1 -3,-0.1 -0.331 27.4 177.2 -61.7 134.2 80.6 42.2 6.0 64 78 A E > - 0 0 66 -8,-0.0 3,-2.6 -2,-0.0 -1,-0.0 -0.922 45.6 -97.4-136.9 162.3 79.5 40.0 8.9 65 79 A D T 3 S+ 0 0 170 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.736 118.7 65.3 -52.1 -26.9 78.4 36.4 9.4 66 79AA T T 3 S+ 0 0 34 -10,-0.1 -1,-0.3 2,-0.0 -9,-0.1 0.749 82.6 108.8 -69.0 -21.4 74.7 37.5 9.4 67 80 A W < + 0 0 40 -3,-2.6 2,-0.3 -11,-0.1 -11,-0.2 -0.198 43.2 178.9 -58.7 144.4 75.2 38.6 5.8 68 81 A Q E -O 55 0D 31 -13,-1.4 -13,-2.3 2,-0.0 2,-0.6 -0.796 8.8-166.2-147.5 96.2 73.6 36.5 3.0 69 82 A K E -O 54 0D 115 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.808 17.6-169.8 -89.1 119.2 74.3 38.0 -0.4 70 83 A L E -O 53 0D 14 -17,-3.2 -17,-2.6 -2,-0.6 2,-0.2 -0.886 21.4-121.2-119.7 148.2 71.9 36.3 -2.9 71 84 A E E -O 52 0D 100 -2,-0.3 25,-2.8 -19,-0.2 2,-0.6 -0.560 19.2-143.0 -79.9 136.7 71.6 36.2 -6.7 72 85 A V E -L 95 0C 17 -21,-1.2 -21,-0.3 -2,-0.2 23,-0.2 -0.912 18.4-180.0-101.3 122.2 68.3 37.4 -8.2 73 86 A I E + 0 0 50 21,-1.7 2,-0.3 -2,-0.6 -1,-0.1 0.781 67.1 23.7 -93.2 -27.6 67.4 35.2 -11.2 74 87 A K E -L 94 0C 114 20,-1.1 20,-2.2 2,-0.0 2,-0.6 -0.996 61.1-153.3-143.5 134.7 64.2 37.0 -12.3 75 88 A Q E -L 93 0C 56 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.921 10.3-162.9-107.7 118.7 62.8 40.5 -11.8 76 89 A F E -L 92 0C 37 16,-3.6 16,-2.9 -2,-0.6 2,-0.3 -0.851 10.1-176.7-106.2 101.6 59.0 40.7 -11.9 77 90 A R E -L 91 0C 121 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.688 41.8 -92.5 -91.4 148.1 57.9 44.3 -12.4 78 91 A H > - 0 0 29 12,-1.7 3,-1.8 10,-0.3 -1,-0.1 -0.391 34.1-128.0 -61.1 135.6 54.2 45.1 -12.4 79 92 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.828 108.0 47.0 -52.8 -38.4 52.8 44.9 -16.0 80 93 A K T 3 S+ 0 0 151 2,-0.1 7,-0.1 8,-0.0 -2,-0.1 0.323 79.0 147.1 -90.3 7.1 51.2 48.3 -15.8 81 94 A Y < - 0 0 48 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.199 32.0-159.2 -47.9 122.7 54.3 50.0 -14.3 82 95 A N > - 0 0 60 5,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.934 18.5-165.8-118.2 118.8 54.5 53.6 -15.6 83 96 A T T 4 S+ 0 0 104 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.547 91.7 46.4 -74.5 -11.6 57.7 55.7 -15.6 84 97 A S T 4 S+ 0 0 89 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.818 125.9 26.3 -97.9 -39.9 55.9 59.0 -16.2 85 98 A T T 4 S- 0 0 27 2,-0.1 -2,-0.2 73,-0.0 3,-0.1 0.629 94.3-139.0 -92.3 -24.6 53.1 58.7 -13.6 86 99 A L < + 0 0 61 -4,-1.9 3,-0.5 1,-0.2 -3,-0.2 0.714 47.4 152.9 73.3 16.4 55.0 56.4 -11.4 87 100 A H + 0 0 35 -5,-0.2 -5,-1.8 1,-0.2 -1,-0.2 -0.415 57.0 22.8 -76.5 156.0 51.9 54.3 -10.7 88 101 A H S S+ 0 0 34 1,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.889 71.1 172.2 54.9 46.1 52.3 50.6 -9.9 89 102 A D + 0 0 2 -3,-0.5 2,-0.4 -8,-0.1 121,-0.2 -0.524 33.0 119.6 -85.1 72.6 55.8 51.0 -8.6 90 103 A I + 0 0 0 -2,-1.9 -12,-1.7 -47,-0.3 2,-0.4 -0.998 35.5 178.4-140.6 135.7 56.0 47.5 -7.3 91 104 A M E -KL 42 77C 0 -49,-2.8 -49,-2.6 -2,-0.4 2,-0.4 -0.997 17.6-149.4-142.3 141.5 58.4 44.6 -8.1 92 105 A L E -KL 41 76C 0 -16,-2.9 -16,-3.6 -2,-0.4 2,-0.5 -0.914 12.7-159.2-108.5 134.8 58.9 41.1 -6.9 93 106 A L E -KL 40 75C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.5 -0.965 7.0-148.9-115.0 124.1 62.4 39.6 -7.1 94 107 A K E -KL 39 74C 48 -20,-2.2 -21,-1.7 -2,-0.5 -20,-1.1 -0.821 19.5-134.5 -93.8 131.2 62.8 35.8 -7.1 95 108 A L E - 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