==== 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/HYDROLASE INHIBITOR 07-SEP-98 1PJP . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.B.PEREIRA,Z.M.WANG,H.RUBIN,R.HUBER,W.BODE,N.M.SCHECHTER, . 230 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 62.6 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 . 75 32.6 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 . 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 . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.8 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 . 2 4 1 5 2 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 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 0.000 360.0 360.0 360.0 127.7 66.2 58.5 5.8 2 17 A I B +A 176 0A 22 174,-3.0 174,-1.7 1,-0.2 130,-0.1 -0.893 360.0 0.5-104.5 127.9 66.0 62.1 6.9 3 18 A G S S+ 0 0 49 -2,-0.5 -1,-0.2 128,-0.4 172,-0.2 0.730 101.9 129.3 71.3 23.2 65.8 62.9 10.6 4 19 A G - 0 0 21 -3,-0.3 2,-0.3 140,-0.1 140,-0.2 -0.358 53.4-120.6 -99.7-177.1 65.9 59.3 11.6 5 20 A T E -B 143 0B 100 138,-2.6 138,-2.9 -2,-0.1 2,-0.1 -0.926 32.5 -95.6-126.4 148.3 68.0 57.3 14.0 6 21 A E E -B 142 0B 107 -2,-0.3 136,-0.3 136,-0.2 2,-0.1 -0.387 45.3-121.3 -61.5 135.4 70.3 54.3 13.5 7 22 A C - 0 0 4 134,-2.7 134,-0.1 1,-0.1 -1,-0.1 -0.359 29.7 -94.8 -75.8 159.4 68.5 51.0 14.1 8 23 A K > - 0 0 163 1,-0.1 3,-2.3 -2,-0.1 4,-0.2 -0.611 65.7 -87.1 -69.5 129.4 69.6 48.5 16.7 9 24 A P T 3 S- 0 0 68 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.216 107.6 -1.7 -46.5 126.2 71.8 46.1 14.6 10 25 A H T 3 S+ 0 0 48 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.537 88.6 127.9 67.9 14.6 69.7 43.4 13.0 11 26 A S S < S+ 0 0 43 -3,-2.3 -1,-0.1 1,-0.3 3,-0.1 0.577 75.4 49.4 -75.3 -7.6 66.4 44.5 14.6 12 27 A R S > S+ 0 0 62 -4,-0.2 3,-2.4 92,-0.1 -1,-0.3 -0.553 71.1 173.1-128.7 67.2 64.8 44.5 11.2 13 28 A P T 3 S+ 0 0 38 0, 0.0 93,-1.2 0, 0.0 43,-0.3 0.604 71.9 60.8 -51.4 -21.5 65.8 41.1 9.9 14 29 A Y T 3 S+ 0 0 30 91,-0.2 20,-2.5 93,-0.1 2,-0.2 0.551 76.1 117.2 -86.2 -11.6 63.7 41.3 6.7 15 30 A M E < -J 33 0C 6 -3,-2.4 41,-0.5 18,-0.2 2,-0.4 -0.415 47.7-161.7 -64.8 130.3 65.5 44.4 5.3 16 31 A A E -J 32 0C 0 16,-2.5 16,-0.6 -2,-0.2 2,-0.5 -0.892 9.7-150.0-115.1 136.5 67.3 43.9 2.0 17 32 A Y E -JK 31 54C 39 37,-2.2 37,-2.2 -2,-0.4 2,-0.5 -0.942 19.7-155.8-104.5 125.7 70.0 46.1 0.6 18 33 A L E -JK 30 53C 0 12,-2.8 12,-1.4 -2,-0.5 2,-0.6 -0.905 13.5-164.3-110.7 131.0 70.0 46.1 -3.2 19 34 A E E -JK 29 52C 82 33,-2.5 33,-2.0 -2,-0.5 2,-0.5 -0.962 18.9-159.5-110.4 117.7 72.9 46.9 -5.5 20 35 A I E -JK 28 51C 3 8,-3.3 8,-2.6 -2,-0.6 2,-0.5 -0.870 7.0-151.9-106.5 127.4 71.6 47.6 -8.9 21 36 A V E - K 0 50C 62 29,-2.9 28,-2.6 -2,-0.5 29,-1.1 -0.839 15.0-174.2 -99.7 126.0 73.7 47.3 -12.1 22 36AA T - 0 0 38 -2,-0.5 3,-0.4 3,-0.5 26,-0.1 -0.697 28.7-120.5-108.7 169.9 72.7 49.5 -15.0 23 36BA S S S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.2 25,-0.0 0.934 101.3 32.4 -80.1 -48.8 74.2 49.5 -18.5 24 36CA N S S+ 0 0 160 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.163 117.7 30.2-105.4 40.8 75.5 53.0 -19.0 25 37 A G S S- 0 0 39 -3,-0.4 -3,-0.5 3,-0.0 3,-0.1 -0.992 87.7 -63.3-177.0 173.3 76.5 54.1 -15.5 26 38 A P S S- 0 0 119 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.144 70.6 -75.4 -64.2 168.0 77.8 53.3 -12.0 27 39 A S - 0 0 68 -6,-0.1 2,-0.2 1,-0.1 -6,-0.2 -0.264 44.2-153.2 -69.0 153.2 75.8 51.1 -9.7 28 40 A K E -J 20 0C 135 -8,-2.6 -8,-3.3 -3,-0.1 2,-0.3 -0.712 7.3-147.4-117.1 169.8 72.6 52.3 -7.9 29 41 A F E +J 19 0C 55 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.959 18.7 163.4-142.5 158.1 71.0 51.1 -4.6 30 42 A a E -J 18 0C 7 -12,-1.4 -12,-2.8 -2,-0.3 153,-0.2 -0.922 31.4-111.3-156.4 176.1 67.6 50.7 -3.0 31 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.384 35.7 159.0-103.8-171.9 66.0 48.9 -0.1 32 44 A G E -J 16 0C 0 -16,-0.6 -16,-2.5 -2,-0.2 2,-0.3 -0.933 28.4-115.7 170.3 177.6 63.5 46.1 -0.2 33 45 A F E -JL 15 41C 2 8,-2.0 8,-2.8 -2,-0.3 2,-0.6 -0.999 18.4-115.7-147.5 142.9 62.2 43.3 2.1 34 46 A L E + L 0 40C 0 -20,-2.5 74,-2.5 -2,-0.3 6,-0.2 -0.645 35.5 163.6 -73.9 117.1 62.2 39.5 2.3 35 47 A I E S+ 0 0 1 4,-2.3 75,-0.3 -2,-0.6 2,-0.3 0.601 74.3 17.1-106.5 -22.0 58.6 38.2 2.0 36 48 A R E > S- L 0 39C 91 3,-1.6 3,-2.0 73,-0.1 -1,-0.4 -0.940 93.0-100.4-142.0 155.9 59.5 34.6 1.2 37 49 A R T 3 S+ 0 0 111 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.750 126.2 28.3 -52.9 -24.9 62.9 32.9 1.7 38 50 A N T 3 S+ 0 0 27 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.123 111.0 78.8-124.5 23.5 63.5 33.4 -2.0 39 51 A F E < -LM 36 94C 4 -3,-2.0 -4,-2.3 55,-0.2 -3,-1.6 -0.985 50.1-172.4-139.1 128.6 61.5 36.5 -2.7 40 52 A V E -LM 34 93C 0 53,-2.1 53,-2.7 -2,-0.4 2,-0.4 -0.948 14.7-146.8-117.6 132.4 62.2 40.2 -2.1 41 53 A L E +LM 33 92C 0 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.2 -0.850 34.9 141.4 -99.6 136.8 59.6 42.9 -2.6 42 54 A T E - M 0 91C 0 49,-2.9 49,-2.6 -2,-0.4 2,-0.4 -0.823 50.5 -60.8-154.5-169.6 60.9 46.3 -3.8 43 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.726 34.1-135.4 -89.4 138.8 60.2 49.3 -6.0 44 56 A A G > S+ 0 0 1 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.812 103.6 65.4 -59.8 -33.7 59.9 48.9 -9.8 45 57 A H G 3 S+ 0 0 42 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.511 90.3 68.0 -68.8 -3.5 62.1 52.0 -10.4 46 58 A a G < S+ 0 0 3 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.299 75.6 122.2 -95.4 5.8 64.9 50.0 -8.7 47 59 A A < + 0 0 29 -3,-1.9 2,-0.3 -27,-0.1 -27,-0.1 -0.284 31.9 152.3 -66.2 157.2 65.1 47.6 -11.7 48 60 A G - 0 0 23 -26,-0.1 -26,-0.2 1,-0.1 3,-0.1 -0.877 60.0 -70.4-163.4-168.7 68.3 47.2 -13.6 49 61 A R S S- 0 0 189 -28,-2.6 2,-0.3 1,-0.3 -27,-0.2 0.905 114.3 -10.9 -65.4 -46.0 70.4 44.8 -15.7 50 63 A S E -K 21 0C 55 -29,-1.1 -29,-2.9 -3,-0.0 2,-0.4 -0.979 65.9-152.5-152.8 153.4 71.1 42.7 -12.6 51 64 A I E -K 20 0C 3 -2,-0.3 21,-1.4 21,-0.3 2,-0.4 -0.987 0.8-159.4-133.1 141.1 70.6 43.0 -8.9 52 65 A T E -KN 19 71C 56 -33,-2.0 -33,-2.5 -2,-0.4 2,-0.4 -0.968 15.4-149.6-118.6 135.9 72.5 41.6 -6.0 53 66 A V E -KN 18 70C 0 17,-2.8 17,-2.5 -2,-0.4 2,-0.5 -0.866 5.7-160.5-109.2 140.4 70.8 41.4 -2.6 54 67 A T E -KN 17 69C 9 -37,-2.2 -37,-2.2 -2,-0.4 2,-0.3 -0.987 12.4-177.5-122.3 117.3 72.5 41.6 0.8 55 68 A L E + N 0 68C 0 13,-2.8 13,-1.9 -2,-0.5 50,-0.1 -0.791 63.2 36.7-108.6 157.0 70.5 40.3 3.8 56 69 A G S S+ 0 0 3 -41,-0.5 10,-0.2 48,-0.5 11,-0.2 0.497 85.7 139.9 80.2 8.4 71.7 40.4 7.4 57 70 A A + 0 0 10 -42,-0.3 -47,-0.3 -3,-0.2 -1,-0.2 -0.434 24.0 156.7 -89.9 153.0 73.4 43.8 7.1 58 71 A H S S+ 0 0 10 1,-0.3 2,-0.9 4,-0.2 83,-0.3 0.367 83.4 28.2-128.7 -75.3 73.6 46.8 9.3 59 72 A N S > S- 0 0 29 3,-0.2 3,-0.9 81,-0.2 -1,-0.3 -0.814 76.7-157.8 -91.5 106.9 76.7 48.8 8.4 60 73 A I T 3 S+ 0 0 32 79,-2.5 -1,-0.1 -2,-0.9 80,-0.1 0.475 84.3 61.3 -69.1 0.6 77.0 47.9 4.7 61 74 A T T 3 S+ 0 0 95 78,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.778 97.7 61.5 -93.8 -28.7 80.7 48.7 4.5 62 75 A E S < S- 0 0 115 -3,-0.9 -4,-0.2 0, 0.0 -3,-0.2 -0.857 78.4-144.8-105.8 107.8 81.8 46.1 7.1 63 77 A E + 0 0 149 -2,-0.7 2,-0.3 -3,-0.1 -3,-0.1 -0.410 25.4 173.0 -68.3 141.4 81.1 42.5 6.2 64 78 A E > - 0 0 69 -2,-0.1 3,-1.4 -8,-0.0 -1,-0.0 -0.837 48.6 -89.1-140.0 176.0 80.1 40.1 9.1 65 79 A D T 3 S+ 0 0 168 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.750 117.7 65.9 -62.2 -25.1 78.9 36.6 9.6 66 79AA T T 3 S+ 0 0 36 -10,-0.2 -1,-0.2 2,-0.0 -9,-0.1 0.709 79.2 111.1 -71.1 -18.8 75.2 37.6 9.4 67 80 A W < + 0 0 40 -3,-1.4 2,-0.4 -11,-0.2 -11,-0.2 -0.254 39.7 178.1 -63.9 139.6 75.6 38.6 5.7 68 81 A Q E -N 55 0C 27 -13,-1.9 -13,-2.8 2,-0.0 2,-0.7 -0.930 9.5-166.0-140.8 104.6 74.0 36.7 2.9 69 82 A K E -N 54 0C 119 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.907 16.3-168.4 -97.0 113.1 74.6 38.1 -0.5 70 83 A L E -N 53 0C 14 -17,-2.5 -17,-2.8 -2,-0.7 2,-0.2 -0.843 19.7-125.8-113.0 142.2 72.2 36.5 -2.9 71 84 A E E -N 52 0C 98 -2,-0.4 25,-2.9 -19,-0.2 2,-0.5 -0.564 19.8-138.8 -78.7 138.5 72.0 36.6 -6.7 72 85 A V E -O 95 0C 15 -21,-1.4 -21,-0.3 -2,-0.2 23,-0.2 -0.888 19.0-177.8 -99.2 127.1 68.7 37.7 -8.3 73 86 A I E + 0 0 53 21,-2.5 2,-0.3 -2,-0.5 -1,-0.1 0.777 66.5 20.5 -95.1 -29.1 67.8 35.5 -11.2 74 87 A K E -O 94 0C 111 20,-1.1 20,-2.3 2,-0.0 2,-0.5 -1.000 59.5-150.5-144.7 143.7 64.6 37.2 -12.3 75 88 A Q E -O 93 0C 57 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.958 8.9-163.7-114.7 122.8 63.0 40.6 -11.9 76 89 A F E -O 92 0C 36 16,-3.5 16,-2.4 -2,-0.5 2,-0.2 -0.807 13.3-176.7-109.7 86.0 59.2 40.8 -11.9 77 90 A R E -O 91 0C 117 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.570 41.2 -92.4 -79.4 150.1 58.2 44.4 -12.5 78 91 A H > - 0 0 25 12,-1.8 3,-2.1 10,-0.3 -1,-0.1 -0.432 32.8-131.6 -61.3 130.6 54.5 45.3 -12.4 79 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.707 106.1 48.2 -58.1 -22.2 53.3 45.1 -16.1 80 93 A K T 3 S+ 0 0 148 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.294 75.4 140.0-102.8 8.5 51.6 48.5 -15.7 81 94 A Y < - 0 0 36 -3,-2.1 2,-0.6 7,-0.1 7,-0.2 -0.342 37.7-157.5 -56.2 121.9 54.6 50.3 -14.1 82 95 A N > - 0 0 63 5,-2.0 4,-2.1 -2,-0.2 5,-0.4 -0.911 13.4-159.0-110.3 121.7 54.6 53.8 -15.7 83 96 A T T 4 S+ 0 0 110 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.852 92.2 46.7 -64.9 -37.7 57.9 55.7 -15.6 84 97 A S T 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.0 75,-0.1 0.923 125.1 28.3 -72.9 -43.7 56.2 59.2 -16.1 85 98 A T T 4 S- 0 0 29 2,-0.1 -2,-0.2 73,-0.0 -1,-0.2 0.660 94.2-137.3 -90.2 -18.3 53.4 58.8 -13.5 86 99 A L >< + 0 0 8 -4,-2.1 3,-0.6 1,-0.2 2,-0.2 0.691 48.1 157.0 66.6 19.5 55.4 56.4 -11.2 87 100 A H T 3 + 0 0 35 -5,-0.4 -5,-2.0 1,-0.2 -1,-0.2 -0.532 58.4 20.4 -74.2 146.7 52.2 54.4 -10.9 88 101 A H T 3 S+ 0 0 35 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.913 74.1 175.1 60.2 47.9 52.5 50.7 -9.9 89 102 A D < + 0 0 0 -3,-0.6 2,-0.3 -8,-0.1 121,-0.2 -0.480 35.9 115.3 -83.6 68.5 56.0 51.2 -8.5 90 103 A I + 0 0 0 -2,-2.0 -12,-1.8 -47,-0.3 2,-0.3 -0.993 36.6 174.8-142.3 141.2 56.3 47.6 -7.3 91 104 A M E -MO 42 77C 0 -49,-2.6 -49,-2.9 -2,-0.3 2,-0.4 -0.996 19.2-144.3-148.9 144.6 58.6 44.8 -8.2 92 105 A L E -MO 41 76C 0 -16,-2.4 -16,-3.5 -2,-0.3 2,-0.5 -0.909 12.7-155.9-110.8 138.8 59.3 41.2 -7.1 93 106 A L E -MO 40 75C 0 -53,-2.7 -53,-2.1 -2,-0.4 2,-0.6 -0.972 5.8-148.9-117.9 123.9 62.8 39.7 -7.1 94 107 A K E -MO 39 74C 45 -20,-2.3 -21,-2.5 -2,-0.5 -20,-1.1 -0.817 18.8-139.6 -92.9 122.3 63.3 36.0 -7.3 95 108 A L E - 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