==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-MAY-11 3S0N . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.C.QIAN,N.A.FARROW,A.K.PADYANA . 226 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.1 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 . 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 . 20 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.0 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 1 0 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 . 3 3 1 5 1 2 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 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 1 A I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.8 21.3 28.9 -6.6 2 2 A I B +A 176 0A 18 174,-3.0 174,-1.7 1,-0.2 130,-0.1 -0.867 360.0 0.7-105.0 133.3 24.9 28.7 -7.7 3 3 A G S S+ 0 0 48 -2,-0.4 -1,-0.2 128,-0.4 172,-0.1 0.775 101.2 127.4 66.5 28.4 25.8 28.4 -11.4 4 4 A G - 0 0 25 -3,-0.3 2,-0.3 140,-0.1 140,-0.2 -0.214 55.1-115.9-102.2-165.7 22.2 28.5 -12.5 5 5 A T E -B 143 0B 93 138,-2.5 138,-2.1 -2,-0.1 -3,-0.0 -0.983 35.3 -94.2-135.4 145.4 20.1 30.5 -15.0 6 6 A E E -B 142 0B 113 -2,-0.3 136,-0.3 136,-0.2 135,-0.1 -0.331 46.0-120.3 -59.1 134.8 17.2 32.9 -14.5 7 7 A C - 0 0 3 134,-2.9 134,-0.1 1,-0.1 -1,-0.1 -0.353 29.2 -97.7 -73.9 157.0 13.9 31.1 -14.8 8 8 A K > - 0 0 159 1,-0.1 3,-2.5 -2,-0.1 4,-0.2 -0.652 65.0 -85.3 -71.3 126.3 11.4 32.2 -17.4 9 9 A P T 3 S- 0 0 63 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.026 107.0 -5.9 -39.7 124.8 9.1 34.4 -15.3 10 10 A H T 3 S+ 0 0 44 47,-0.2 48,-0.1 2,-0.1 -2,-0.0 0.612 88.5 131.8 63.2 17.3 6.4 32.3 -13.6 11 11 A S S < S+ 0 0 50 -3,-2.5 -1,-0.1 1,-0.3 3,-0.1 0.570 75.2 48.1 -74.7 -7.4 7.4 29.1 -15.4 12 12 A R S > S+ 0 0 26 -4,-0.2 3,-1.9 92,-0.1 -1,-0.3 -0.641 71.4 174.0-133.0 72.7 7.4 27.4 -12.0 13 13 A P T 3 S+ 0 0 36 0, 0.0 93,-1.1 0, 0.0 43,-0.4 0.554 72.3 62.6 -55.6 -18.3 4.0 28.5 -10.5 14 14 A Y T 3 S+ 0 0 24 91,-0.2 20,-2.7 93,-0.1 94,-0.2 0.560 75.9 116.6 -88.2 -11.2 4.2 26.3 -7.5 15 15 A M E < -I 33 0C 5 -3,-1.9 41,-0.6 18,-0.2 2,-0.4 -0.349 49.6-158.6 -63.7 134.9 7.4 28.1 -6.1 16 16 A A E -IJ 32 55C 0 16,-2.9 16,-0.7 25,-0.1 2,-0.6 -0.947 9.9-151.1-120.4 135.9 6.9 29.8 -2.8 17 17 A Y E -IJ 31 54C 33 37,-2.0 37,-2.5 -2,-0.4 2,-0.4 -0.925 20.8-159.9-104.6 117.9 9.1 32.6 -1.4 18 18 A L E -IJ 30 53C 0 12,-3.1 12,-1.9 -2,-0.6 2,-0.5 -0.835 14.7-166.2-106.9 138.5 9.1 32.5 2.4 19 19 A E E -IJ 29 52C 71 33,-2.0 33,-2.0 -2,-0.4 2,-0.5 -0.982 17.3-159.0-118.9 113.7 10.0 35.3 4.8 20 20 A I E -IJ 28 51C 4 8,-2.8 8,-2.7 -2,-0.5 2,-0.4 -0.858 0.2-153.9-104.1 127.4 10.5 34.0 8.3 21 21 A V E - J 0 50C 56 29,-2.7 28,-2.3 -2,-0.5 29,-1.2 -0.768 11.8-176.4-101.0 140.7 10.3 36.2 11.4 22 22AA T E > -I 25 0C 53 3,-0.6 3,-0.7 -2,-0.4 26,-0.0 -0.898 33.0-118.6-130.5 160.0 12.0 35.6 14.7 23 23BA S T 3 S+ 0 0 105 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.940 107.3 28.3 -64.1 -51.6 12.0 37.3 18.1 24 24CA N T 3 S+ 0 0 157 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.289 116.5 47.2-110.6 49.4 15.6 38.3 18.3 25 25 A G E < S-I 22 0C 36 -3,-0.7 -3,-0.6 -2,-0.1 3,-0.1 -0.973 84.8 -83.8-174.2 161.6 16.8 38.7 14.7 26 26 A P E - 0 0 115 0, 0.0 -2,-0.1 0, 0.0 -6,-0.0 -0.230 65.9 -79.5 -66.9 164.8 16.1 40.2 11.3 27 27 A S E - 0 0 46 -6,-0.1 2,-0.2 1,-0.0 -6,-0.2 -0.291 46.3-148.4 -66.6 153.0 13.8 38.2 9.0 28 28 A K E -I 20 0C 147 -8,-2.7 -8,-2.8 18,-0.1 2,-0.4 -0.713 7.9-136.0-114.3 169.5 15.2 35.2 7.2 29 29 A F E +I 19 0C 77 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.983 25.0 159.4-136.3 143.9 14.2 33.8 3.8 30 30 A a E -I 18 0C 13 -12,-1.9 -12,-3.1 -2,-0.4 153,-0.2 -0.899 30.7-113.6-147.2 175.0 13.6 30.4 2.3 31 31 A G E +I 17 0C 0 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.449 33.8 157.4-104.6-178.3 12.0 28.6 -0.6 32 32 A G E -I 16 0C 0 -16,-0.7 -16,-2.9 -2,-0.2 2,-0.3 -0.947 28.5-118.6 175.5 177.1 9.1 26.2 -0.6 33 33 A F E -IK 15 41C 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.5 -0.995 18.8-118.3-147.3 140.8 6.4 24.8 -2.9 34 34 A L E + K 0 40C 0 -20,-2.7 74,-2.9 -2,-0.3 6,-0.2 -0.608 34.2 163.5 -74.9 120.1 2.6 24.8 -3.0 35 35 A I E S+ 0 0 1 4,-2.4 75,-0.3 -2,-0.5 2,-0.3 0.593 73.6 18.4-111.2 -17.7 1.2 21.3 -2.9 36 36 A R E > S- K 0 39C 84 3,-1.6 3,-2.1 73,-0.1 -1,-0.4 -0.946 91.2-102.6-144.4 154.3 -2.4 22.1 -2.0 37 37 A R T 3 S+ 0 0 107 -2,-0.3 62,-3.2 1,-0.3 60,-0.1 0.755 125.3 30.1 -54.8 -22.6 -4.1 25.5 -2.4 38 38 A N T 3 S+ 0 0 28 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.092 111.3 75.9-123.6 23.6 -3.7 26.0 1.4 39 39 A F E < -KL 36 94C 3 -3,-2.1 -4,-2.4 55,-0.2 -3,-1.6 -0.977 50.5-172.4-141.8 127.6 -0.5 24.0 2.0 40 40 A V E -KL 34 93C 0 53,-2.4 53,-3.1 -2,-0.4 2,-0.4 -0.961 15.0-146.3-117.4 131.3 3.2 24.8 1.3 41 41 A L E +KL 33 92C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.787 35.4 140.4 -96.4 138.5 5.9 22.2 1.8 42 42 A T E - L 0 91C 0 49,-2.6 49,-2.7 -2,-0.4 2,-0.3 -0.863 52.5 -61.8-157.0-171.4 9.3 23.5 3.0 43 43 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.665 35.5-132.3 -89.1 141.9 12.3 22.6 5.3 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.811 103.8 65.6 -61.0 -31.0 11.7 22.3 9.0 45 45 A H G 3 S+ 0 0 74 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.599 89.4 69.0 -70.4 -5.2 14.8 24.5 9.8 46 46 A a G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.413 75.3 122.5 -89.4 1.8 12.9 27.3 8.1 47 47 A A < + 0 0 31 -3,-1.9 2,-0.2 -4,-0.1 -27,-0.1 -0.212 32.6 151.5 -61.6 153.8 10.5 27.4 11.1 48 48 A G - 0 0 26 1,-0.1 -26,-0.2 -26,-0.0 3,-0.1 -0.853 60.1 -71.3-160.8-165.6 10.1 30.6 13.0 49 49 A R S S- 0 0 191 -28,-2.3 2,-0.3 1,-0.3 -27,-0.2 0.923 113.7 -8.4 -69.1 -45.5 7.7 32.7 15.1 50 50 A S E -J 21 0C 51 -29,-1.2 -29,-2.7 -3,-0.1 2,-0.4 -0.981 66.4-154.1-149.3 156.9 5.6 33.6 12.0 51 51 A I E -J 20 0C 7 -2,-0.3 21,-1.0 21,-0.3 2,-0.4 -0.997 3.3-158.1-139.3 141.2 5.9 33.2 8.3 52 52 A T E -JM 19 71C 52 -33,-2.0 -33,-2.0 -2,-0.4 2,-0.5 -0.967 13.8-151.2-118.3 132.5 4.6 35.0 5.2 53 53 A V E -JM 18 70C 0 17,-2.7 17,-4.0 -2,-0.4 2,-0.6 -0.891 4.4-162.3-107.1 130.0 4.4 33.2 1.9 54 54 A T E -JM 17 69C 3 -37,-2.5 -37,-2.0 -2,-0.5 3,-0.4 -0.937 12.8-174.9-113.5 111.4 4.6 35.0 -1.4 55 55 A L E +JM 16 68C 0 13,-2.6 13,-1.8 -2,-0.6 -39,-0.1 -0.661 62.0 32.6 -99.1 159.2 3.3 33.0 -4.4 56 56 A G S S+ 0 0 4 -41,-0.6 2,-0.2 48,-0.4 -1,-0.2 0.707 85.2 138.7 71.4 22.3 3.5 34.1 -8.0 57 57 A A + 0 0 9 -3,-0.4 -47,-0.2 -42,-0.3 -1,-0.2 -0.616 23.6 157.9-100.9 159.5 6.8 35.9 -7.7 58 58 A H S S+ 0 0 12 -2,-0.2 2,-1.0 4,-0.2 83,-0.8 0.354 84.2 30.8-135.0 -69.0 9.8 36.1 -10.0 59 59 A N B > S-O 140 0D 28 81,-0.2 3,-1.5 3,-0.2 81,-0.2 -0.863 75.0-165.3 -96.7 100.4 11.7 39.3 -9.1 60 60 A I T 3 S+ 0 0 28 79,-2.2 -1,-0.1 -2,-1.0 80,-0.1 0.487 79.9 66.6 -68.2 -3.0 10.8 39.5 -5.4 61 61 A T T 3 S+ 0 0 86 78,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.672 97.0 58.9 -89.9 -18.4 12.0 43.2 -5.2 62 62 A E S < S- 0 0 116 -3,-1.5 -3,-0.2 77,-0.2 -4,-0.2 -0.903 80.6-141.1-118.6 108.3 9.2 44.4 -7.5 63 63 A E + 0 0 154 -2,-0.6 2,-0.3 -3,-0.1 -2,-0.0 -0.270 28.5 172.0 -61.4 146.2 5.6 43.7 -6.5 64 64 A E > - 0 0 69 -8,-0.0 3,-1.4 1,-0.0 -1,-0.0 -0.941 48.1 -95.0-149.9 168.8 3.2 42.8 -9.3 65 65 A D T 3 S+ 0 0 172 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.780 117.4 64.7 -60.5 -28.1 -0.4 41.6 -9.8 66 66 A T T 3 S+ 0 0 37 -10,-0.1 -1,-0.3 2,-0.0 -9,-0.1 0.764 82.7 106.5 -67.2 -22.9 0.7 37.9 -9.9 67 67 A W < - 0 0 39 -3,-1.4 2,-0.4 -11,-0.1 -11,-0.2 -0.231 46.8-175.1 -60.5 141.6 1.8 38.2 -6.3 68 68 A Q E -M 55 0C 29 -13,-1.8 -13,-2.6 2,-0.0 2,-0.8 -0.878 7.9-163.7-137.8 98.9 -0.2 36.6 -3.6 69 69 A K E -M 54 0C 98 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.804 22.0-167.2 -85.5 113.6 1.2 37.5 -0.1 70 70 A L E -M 53 0C 30 -17,-4.0 -17,-2.7 -2,-0.8 2,-0.2 -0.903 19.5-127.4-118.1 137.1 -0.4 34.8 2.1 71 71 A E E -M 52 0C 107 -2,-0.4 25,-2.7 -19,-0.2 2,-0.6 -0.471 18.7-139.0 -73.9 139.4 -0.7 34.5 5.8 72 72 A V E -N 95 0C 20 -21,-1.0 -21,-0.3 23,-0.3 23,-0.3 -0.899 15.2-172.5-101.0 121.4 0.4 31.2 7.4 73 73 A I E + 0 0 72 21,-2.2 2,-0.3 -2,-0.6 22,-0.2 0.859 67.9 7.1 -83.7 -35.2 -2.0 30.1 10.1 74 74 A K E -N 94 0C 123 20,-1.3 20,-2.5 2,-0.0 2,-0.5 -0.997 60.2-140.4-152.4 143.6 -0.0 27.2 11.5 75 75 A Q E -N 93 0C 53 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.905 9.9-163.2-106.3 124.2 3.4 25.5 11.0 76 76 A F E -N 92 0C 40 16,-3.4 16,-2.4 -2,-0.5 2,-0.3 -0.770 13.1-175.4-108.0 85.4 3.6 21.7 11.0 77 77 A R E -N 91 0C 139 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.598 41.1 -94.5 -78.8 138.9 7.3 20.9 11.7 78 78 A H > - 0 0 24 12,-2.3 3,-1.9 -2,-0.3 -1,-0.1 -0.329 30.9-131.0 -56.8 131.6 8.0 17.2 11.5 79 79 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.817 105.7 47.2 -52.0 -37.4 7.9 15.7 15.0 80 80 A K T 3 S+ 0 0 143 2,-0.1 7,-0.1 8,-0.0 -2,-0.1 0.369 77.3 135.5 -91.0 4.4 11.2 14.0 14.6 81 81 A Y < - 0 0 36 -3,-1.9 2,-0.4 9,-0.1 7,-0.2 -0.298 38.6-161.6 -54.2 134.1 13.1 17.0 13.1 82 82 A N > - 0 0 64 5,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.983 19.2-156.8-127.8 123.2 16.4 17.1 14.9 83 83 A T T 4 S+ 0 0 109 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.684 94.0 49.8 -71.2 -18.8 18.6 20.3 14.9 84 84 A S T 4 S+ 0 0 86 1,-0.1 -1,-0.2 3,-0.0 75,-0.1 0.861 126.2 22.7 -88.3 -38.0 21.9 18.3 15.5 85 85 A T T 4 S- 0 0 29 2,-0.1 -2,-0.2 73,-0.0 3,-0.1 0.705 91.2-140.1 -98.0 -24.3 21.5 15.7 12.8 86 86 A L >< + 0 0 39 -4,-2.5 3,-0.6 1,-0.2 -3,-0.1 0.628 47.5 153.0 71.0 14.8 19.1 17.7 10.6 87 87 A H T 3 + 0 0 39 1,-0.2 -5,-1.6 -5,-0.2 -1,-0.2 -0.401 60.6 23.4 -69.8 153.7 17.2 14.5 9.9 88 88 A H T 3 S+ 0 0 35 1,-0.2 2,-2.1 -7,-0.2 -1,-0.2 0.904 74.5 172.9 56.2 45.1 13.5 14.9 9.0 89 89 A D < + 0 0 1 -3,-0.6 2,-0.3 -8,-0.1 -1,-0.2 -0.486 34.6 117.0 -83.8 69.0 14.1 18.5 7.8 90 90 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.990 36.2 175.6-140.2 146.3 10.6 18.9 6.5 91 91 A M E -LN 42 77C 0 -49,-2.7 -49,-2.6 -2,-0.3 2,-0.4 -0.993 19.4-144.2-152.1 143.1 7.7 21.1 7.4 92 92 A L E -LN 41 76C 0 -16,-2.4 -16,-3.4 -2,-0.3 2,-0.5 -0.911 13.6-154.9-108.9 134.6 4.1 21.8 6.1 93 93 A L E -LN 40 75C 0 -53,-3.1 -53,-2.4 -2,-0.4 2,-0.6 -0.940 5.7-150.0-111.1 121.7 2.7 25.3 6.2 94 94 A K E -LN 39 74C 49 -20,-2.5 -21,-2.2 -2,-0.5 -20,-1.3 -0.808 16.2-139.1 -92.0 124.3 -1.1 25.7 6.4 95 95 A L E - 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