==== 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 23-APR-04 1T31 . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DE GARAVILLA,M.N.GRECO,E.C.GIARDINO,G.I.WELLS,B.J.HAERTLEI . 226 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 65.0 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 . 77 34.1 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 . 2 0.9 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 . 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 . 23 10.2 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 . 10 4.4 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 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 . 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 . 4 3 1 5 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 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.4 5.7 48.3 22.9 2 17 A I B -A 176 0A 22 174,-3.6 174,-1.9 1,-0.2 130,-0.1 -0.861 360.0 -4.4-101.7 128.5 8.0 47.6 25.8 3 18 A G S S+ 0 0 48 -2,-0.5 -1,-0.2 128,-0.4 172,-0.1 0.758 100.8 128.1 65.8 27.3 11.0 49.9 26.3 4 19 A G - 0 0 23 -3,-0.3 2,-0.3 172,-0.1 140,-0.2 -0.248 54.3-112.8-101.0-168.4 10.5 51.9 23.1 5 20 A T E -B 143 0B 97 138,-2.8 138,-2.3 -2,-0.1 2,-0.2 -0.899 34.4 -93.8-126.4 156.1 10.3 55.6 22.3 6 21 A E E -B 142 0B 108 -2,-0.3 136,-0.3 136,-0.2 135,-0.1 -0.484 46.7-119.3 -67.8 134.3 7.4 57.8 21.1 7 22 A C - 0 0 4 134,-2.6 134,-0.1 -2,-0.2 -1,-0.1 -0.344 29.4-100.3 -70.2 157.0 7.5 58.0 17.3 8 23 A K > - 0 0 160 1,-0.1 3,-2.1 2,-0.0 4,-0.2 -0.700 61.4 -91.6 -73.7 125.9 7.9 61.5 15.8 9 24 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.105 105.9 3.5 -45.1 131.4 4.2 62.2 14.9 10 25 A H T 3 S+ 0 0 53 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.599 90.7 122.5 68.2 16.9 3.3 61.0 11.4 11 26 A S S < S+ 0 0 54 -3,-2.1 -1,-0.1 1,-0.3 3,-0.1 0.565 75.5 46.0 -84.8 -8.2 6.7 59.5 10.7 12 27 A R S > S+ 0 0 27 -4,-0.2 3,-2.0 92,-0.1 -1,-0.3 -0.604 70.8 173.0-132.6 69.9 5.2 56.1 10.0 13 28 A P T 3 S+ 0 0 34 0, 0.0 93,-1.6 0, 0.0 43,-0.3 0.506 70.9 64.5 -56.5 -12.7 2.2 57.0 7.7 14 29 A Y T 3 S+ 0 0 21 91,-0.2 20,-2.2 93,-0.1 94,-0.1 0.612 75.1 116.5 -89.5 -13.0 1.3 53.4 6.8 15 30 A M E < -I 33 0C 6 -3,-2.0 41,-0.6 18,-0.2 2,-0.4 -0.318 47.4-163.8 -62.6 132.4 0.3 52.6 10.5 16 31 A A E -IJ 32 55C 0 16,-3.1 16,-0.6 25,-0.1 2,-0.5 -0.954 11.2-148.5-120.6 136.2 -3.3 51.7 11.0 17 32 A Y E -IJ 31 54C 29 37,-2.1 37,-2.4 -2,-0.4 2,-0.5 -0.912 18.5-154.7-102.0 126.2 -5.1 51.6 14.4 18 33 A L E -IJ 30 53C 0 12,-3.0 12,-1.5 -2,-0.5 2,-0.7 -0.903 10.8-165.4-110.1 126.1 -7.8 49.0 14.4 19 34 A E E -IJ 29 52C 91 33,-2.5 33,-2.0 -2,-0.5 2,-0.4 -0.935 17.9-164.3-107.9 112.2 -10.8 49.2 16.7 20 35 A I E -IJ 28 51C 2 8,-3.5 8,-2.4 -2,-0.7 2,-0.6 -0.841 13.0-154.0-106.2 132.7 -12.5 45.8 16.8 21 36 A V E - J 0 50C 55 29,-2.7 28,-1.6 -2,-0.4 29,-1.3 -0.907 18.3-142.9-103.1 116.4 -16.0 45.0 18.0 22 36AA T - 0 0 32 -2,-0.6 2,-0.7 4,-0.5 3,-0.2 -0.643 21.3-118.2 -84.2 137.0 -16.3 41.4 19.2 23 36BA S S S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.2 25,-0.0 0.338 107.1 11.5 -50.9 14.1 -19.6 39.6 18.5 24 36CA N S S+ 0 0 132 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.557 117.7 25.8-167.7 -25.9 -20.0 39.4 22.2 25 37 A G S S- 0 0 36 1,-0.3 -3,-0.4 -3,-0.2 -1,-0.2 -0.507 90.7 -23.4-136.3-153.2 -17.8 41.3 24.6 26 38 A P - 0 0 111 0, 0.0 -4,-0.5 0, 0.0 -1,-0.3 -0.115 67.1-105.6 -59.2 160.7 -15.6 44.4 25.1 27 39 A S - 0 0 76 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.335 39.8-166.2 -78.8 169.1 -14.1 46.1 22.1 28 40 A K E -I 20 0C 73 -8,-2.4 -8,-3.5 18,-0.1 2,-0.3 -0.955 8.2-133.6-151.2 168.2 -10.4 45.6 21.5 29 41 A F E +I 19 0C 48 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.905 17.8 171.0-131.5 161.3 -7.6 47.0 19.4 30 42 A a E -I 18 0C 1 -12,-1.5 -12,-3.0 -2,-0.3 153,-0.2 -0.924 28.5-116.9-151.9 169.1 -4.7 46.0 17.1 31 43 A G E +I 17 0C 0 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.414 35.9 157.3-101.9-176.3 -2.2 47.6 14.8 32 44 A G E -I 16 0C 0 -16,-0.6 -16,-3.1 -2,-0.2 2,-0.3 -0.934 27.9-120.1 172.8 176.0 -1.9 47.0 11.0 33 45 A F E -IK 15 41C 0 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -1.000 20.6-111.4-147.8 146.4 -0.6 48.8 8.0 34 46 A L E + K 0 40C 0 -20,-2.2 74,-1.9 72,-0.3 6,-0.2 -0.597 33.2 166.2 -75.6 116.2 -1.9 50.1 4.6 35 47 A I E S+ 0 0 2 4,-1.8 2,-0.3 -2,-0.5 -1,-0.2 0.612 75.7 14.2-102.5 -17.4 -0.5 48.1 1.7 36 48 A R E > S- K 0 39C 105 3,-1.6 3,-1.7 70,-0.1 -1,-0.3 -0.953 90.9 -98.2-148.4 159.1 -3.0 49.5 -0.8 37 49 A R T 3 S+ 0 0 103 -2,-0.3 62,-2.7 1,-0.3 60,-0.1 0.784 125.8 26.8 -53.3 -29.1 -5.3 52.5 -0.6 38 50 A N T 3 S+ 0 0 26 60,-0.2 57,-2.7 58,-0.1 2,-0.4 0.096 112.5 76.4-122.4 22.7 -8.2 50.3 0.3 39 51 A F E < -KL 36 94C 3 -3,-1.7 -4,-1.8 55,-0.2 -3,-1.6 -0.997 51.2-170.3-138.7 135.4 -6.4 47.3 2.0 40 52 A V E -KL 34 93C 0 53,-2.2 53,-2.5 -2,-0.4 2,-0.4 -0.971 14.3-144.8-123.5 135.3 -4.8 46.9 5.4 41 53 A L E +KL 33 92C 0 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.2 -0.824 37.2 135.9-100.4 139.2 -2.7 44.0 6.5 42 54 A T E - L 0 91C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.4 -0.830 53.8 -55.9-158.3-165.5 -2.9 42.8 10.1 43 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.740 34.3-136.2 -93.5 138.7 -3.1 39.6 12.2 44 56 A A G > S+ 0 0 1 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.792 103.6 65.1 -59.3 -30.5 -5.9 37.1 11.7 45 57 A H G 3 S+ 0 0 51 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.587 90.7 67.6 -71.2 -6.2 -6.4 36.8 15.5 46 58 A a G < S+ 0 0 1 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.436 75.5 121.5 -90.4 -1.3 -7.5 40.4 15.4 47 59 A A < + 0 0 31 -3,-1.7 2,-0.3 -4,-0.1 3,-0.1 -0.153 33.6 153.0 -59.8 157.5 -10.7 39.5 13.4 48 60 A G - 0 0 23 1,-0.1 -26,-0.2 -26,-0.1 3,-0.1 -0.925 58.6 -72.6-166.2-171.6 -14.1 40.4 14.8 49 61 A R S S- 0 0 148 -28,-1.6 2,-0.3 -2,-0.3 -27,-0.2 0.939 112.9 -4.5 -64.9 -46.2 -17.7 41.2 14.1 50 63 A S E -J 21 0C 47 -29,-1.3 -29,-2.7 -3,-0.1 2,-0.4 -0.984 65.5-159.8-147.3 154.4 -16.8 44.7 12.8 51 64 A I E -J 20 0C 2 21,-0.4 21,-2.6 -2,-0.3 2,-0.4 -0.999 5.3-161.9-142.9 138.6 -13.7 46.8 12.5 52 65 A T E -JM 19 71C 52 -33,-2.0 -33,-2.5 -2,-0.4 2,-0.4 -0.967 14.9-151.3-117.4 133.0 -12.9 50.5 12.0 53 66 A V E -JM 18 70C 0 17,-3.1 17,-2.7 -2,-0.4 2,-0.6 -0.888 3.8-160.4-108.1 133.6 -9.5 51.6 10.8 54 67 A T E -JM 17 69C 4 -37,-2.4 -37,-2.1 -2,-0.4 2,-0.3 -0.959 12.0-174.7-115.8 119.2 -8.0 55.0 11.7 55 68 A L E +JM 16 68C 0 13,-2.9 13,-2.0 -2,-0.6 -39,-0.1 -0.784 60.8 34.3-109.6 153.9 -5.2 56.2 9.5 56 69 A G S S+ 0 0 5 -41,-0.6 10,-0.2 48,-0.4 2,-0.2 0.649 86.6 132.6 81.0 18.1 -3.0 59.3 10.0 57 70 A A + 0 0 11 -42,-0.3 -47,-0.3 -3,-0.3 -1,-0.2 -0.549 30.2 163.8-104.4 165.1 -2.9 59.2 13.8 58 71 A H S S+ 0 0 9 4,-0.3 2,-1.0 1,-0.3 83,-0.9 0.365 85.8 38.1-134.8 -66.6 -0.3 59.5 16.6 59 72 A N B > S-O 140 0D 32 3,-0.3 3,-2.2 81,-0.2 -1,-0.3 -0.837 77.8-159.2 -91.7 102.7 -2.2 60.1 19.8 60 73 A I T 3 S+ 0 0 26 79,-2.4 -1,-0.1 -2,-1.0 80,-0.1 0.576 87.0 55.9 -63.5 -9.1 -5.2 57.8 19.1 61 74 A T T 3 S+ 0 0 94 78,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.422 99.4 69.8-100.7 1.2 -7.4 59.7 21.6 62 75 A E S < S- 0 0 117 -3,-2.2 -4,-0.3 77,-0.2 -3,-0.3 -0.891 78.8-140.8-126.0 102.6 -6.8 63.0 19.9 63 77 A E - 0 0 153 -2,-0.5 2,-0.3 -3,-0.1 -3,-0.0 -0.294 21.8-171.4 -60.3 137.7 -8.4 63.5 16.4 64 78 A E > - 0 0 52 -8,-0.0 3,-1.9 1,-0.0 -1,-0.0 -0.884 38.9-112.4-127.9 161.0 -6.3 65.4 13.9 65 79 A D T 3 S+ 0 0 173 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.596 116.6 66.1 -68.4 -8.1 -7.1 66.8 10.4 66 79AA T T 3 S+ 0 0 35 -10,-0.2 -1,-0.3 38,-0.0 -9,-0.1 0.609 80.7 113.1 -85.0 -14.8 -4.7 64.1 9.2 67 80 A W < - 0 0 45 -3,-1.9 2,-0.4 -11,-0.1 -11,-0.2 -0.274 41.8-178.5 -63.7 141.8 -7.1 61.5 10.3 68 81 A Q E -M 55 0C 38 -13,-2.0 -13,-2.9 2,-0.0 2,-0.5 -0.932 8.8-167.5-140.7 109.4 -8.9 59.2 7.8 69 82 A K E +M 54 0C 124 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.903 9.8 179.1-104.5 128.3 -11.3 56.8 9.5 70 83 A L E -M 53 0C 12 -17,-2.7 -17,-3.1 -2,-0.5 2,-0.2 -0.992 25.0-128.7-134.4 138.2 -12.7 54.0 7.3 71 84 A E E -M 52 0C 103 -2,-0.4 25,-2.8 -19,-0.2 2,-0.4 -0.588 27.1-122.6 -81.2 141.7 -15.0 51.1 8.0 72 85 A V E -N 95 0C 12 -21,-2.6 -21,-0.4 -2,-0.2 23,-0.2 -0.727 25.8-177.6 -85.3 132.0 -13.8 47.6 7.0 73 86 A I E + 0 0 72 21,-2.6 2,-0.3 -2,-0.4 22,-0.2 0.615 68.4 28.8-103.7 -17.1 -16.3 45.9 4.6 74 87 A K E -N 94 0C 86 20,-1.2 20,-2.5 2,-0.0 2,-0.5 -0.979 60.5-157.3-149.6 132.6 -14.5 42.6 4.2 75 88 A Q E -N 93 0C 65 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.934 6.1-168.1-110.1 126.9 -12.2 40.5 6.4 76 89 A F E -N 92 0C 40 16,-3.1 16,-2.0 -2,-0.5 2,-0.2 -0.762 8.0-175.1-116.1 83.8 -9.9 38.0 4.8 77 90 A R E -N 91 0C 141 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.565 42.5 -95.0 -75.5 143.0 -8.4 35.7 7.4 78 91 A H > - 0 0 19 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.330 32.3-128.4 -57.3 134.5 -5.9 33.3 6.1 79 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.791 106.9 47.0 -56.6 -28.5 -7.7 30.0 5.3 80 93 A K T 3 S+ 0 0 122 8,-0.1 7,-0.2 2,-0.1 -2,-0.1 0.375 74.2 139.0 -96.8 4.7 -5.2 28.0 7.3 81 94 A Y < - 0 0 39 -3,-1.8 2,-0.5 7,-0.2 7,-0.2 -0.279 35.9-166.0 -50.7 126.3 -5.0 30.3 10.4 82 95 A N > - 0 0 63 5,-1.7 4,-2.1 1,-0.1 5,-0.4 -0.973 23.8-158.2-126.6 122.2 -4.9 27.8 13.3 83 96 A T T 4 S+ 0 0 105 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.1 0.676 94.2 52.2 -71.1 -16.8 -5.5 28.7 16.9 84 97 A S T 4 S+ 0 0 96 1,-0.1 -1,-0.2 3,-0.1 74,-0.0 0.913 125.7 22.2 -84.1 -46.2 -3.7 25.6 18.2 85 98 A T T 4 S- 0 0 31 2,-0.1 -2,-0.2 74,-0.1 3,-0.1 0.635 93.8-141.2 -92.1 -17.0 -0.4 26.1 16.3 86 99 A L >< + 0 0 40 -4,-2.1 3,-0.5 1,-0.2 -3,-0.2 0.712 48.3 153.0 59.8 22.8 -1.1 29.8 15.8 87 100 A H T 3 + 0 0 27 -5,-0.4 -5,-1.7 1,-0.2 -1,-0.2 -0.479 53.3 24.0 -79.9 153.2 0.3 29.4 12.3 88 101 A H T 3 + 0 0 15 1,-0.2 2,-2.2 -7,-0.2 -10,-0.3 0.877 70.0 173.2 61.9 41.3 -0.7 31.7 9.5 89 102 A D < + 0 0 1 -3,-0.5 2,-0.3 -46,-0.1 121,-0.2 -0.506 36.5 114.3 -81.5 75.7 -1.7 34.6 11.8 90 103 A I + 0 0 0 -2,-2.2 -12,-2.1 -47,-0.3 2,-0.3 -0.986 37.7 176.9-145.6 150.2 -2.4 37.0 9.0 91 104 A M E -LN 42 77C 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.4 -0.989 19.4-141.0-157.0 145.9 -5.4 38.8 7.6 92 105 A L E -LN 41 76C 0 -16,-2.0 -16,-3.1 -2,-0.3 2,-0.5 -0.888 14.4-157.7-109.7 141.0 -6.4 41.4 4.9 93 106 A L E -LN 40 75C 0 -53,-2.5 -53,-2.2 -2,-0.4 2,-0.5 -0.975 5.8-149.5-121.3 126.9 -9.0 44.0 5.5 94 107 A K E -LN 39 74C 40 -20,-2.5 -21,-2.6 -2,-0.5 -20,-1.2 -0.848 19.3-137.1 -96.0 128.7 -10.8 45.7 2.6 95 108 A L E - 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