==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-APR-13 4K60 . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.K.COLLINS,A.K.PADYANA . 219 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 63.9 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 . 75 34.2 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 0.5 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.5 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 0 1 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 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.6 66.6 58.6 6.3 2 17 A I B +A 171 0A 22 169,-3.3 169,-1.8 1,-0.2 125,-0.1 -0.877 360.0 3.4-102.2 127.5 66.5 62.3 7.3 3 18 A G S S+ 0 0 48 -2,-0.5 -1,-0.2 123,-0.5 167,-0.1 0.724 102.1 119.7 78.2 22.1 65.9 63.1 11.0 4 19 A G - 0 0 23 -3,-0.4 2,-0.3 135,-0.1 135,-0.2 -0.229 57.7-114.6-104.0-165.9 66.0 59.6 12.2 5 20 A T E -B 138 0B 95 133,-2.5 133,-2.6 -2,-0.1 2,-0.2 -0.921 34.4 -91.1-131.0 157.5 68.1 57.5 14.6 6 21 A E E -B 137 0B 107 -2,-0.3 131,-0.3 131,-0.2 2,-0.1 -0.481 45.0-122.8 -67.5 132.6 70.4 54.6 14.2 7 22 A C - 0 0 4 129,-2.7 129,-0.1 -2,-0.2 -1,-0.1 -0.404 28.2-100.2 -68.9 150.9 68.7 51.3 14.6 8 23 A K > - 0 0 160 1,-0.1 3,-2.2 -2,-0.1 4,-0.2 -0.594 62.6 -89.1 -62.0 130.5 69.9 48.8 17.2 9 24 A P T 3 S+ 0 0 64 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.224 106.6 1.1 -56.0 131.3 72.0 46.4 15.0 10 25 A H T 3 S+ 0 0 52 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.533 89.2 126.4 72.8 12.7 69.9 43.6 13.5 11 26 A S S < S+ 0 0 36 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.596 75.1 47.0 -77.9 -9.6 66.7 44.8 15.1 12 27 A R S > S+ 0 0 47 -4,-0.2 3,-2.4 92,-0.1 -1,-0.3 -0.651 71.9 174.0-126.0 72.8 65.0 44.8 11.7 13 28 A P T 3 S+ 0 0 36 0, 0.0 93,-1.2 0, 0.0 43,-0.3 0.581 71.0 62.7 -69.4 -8.5 66.0 41.4 10.4 14 29 A Y T 3 S+ 0 0 17 91,-0.2 20,-2.7 93,-0.1 94,-0.2 0.513 76.5 119.2 -85.0 -8.8 63.9 41.6 7.2 15 30 A M E < -I 33 0C 6 -3,-2.4 41,-0.6 18,-0.2 2,-0.4 -0.369 46.8-161.0 -69.3 136.7 65.8 44.6 5.9 16 31 A A E -IJ 32 55C 0 16,-2.7 16,-0.8 25,-0.1 2,-0.5 -0.951 10.5-151.4-120.3 134.5 67.5 44.2 2.5 17 32 A Y E -IJ 31 54C 37 37,-2.2 37,-2.7 -2,-0.4 2,-0.5 -0.928 20.5-157.0-104.1 122.5 70.3 46.4 1.1 18 33 A L E -IJ 30 53C 0 12,-2.8 12,-1.8 -2,-0.5 2,-0.6 -0.882 13.9-165.9-110.1 127.0 70.3 46.4 -2.7 19 34 A E E -IJ 29 52C 71 33,-2.5 33,-2.3 -2,-0.5 2,-0.5 -0.963 17.9-159.7-107.5 121.2 73.2 47.1 -5.0 20 35 A I E -IJ 28 51C 6 8,-3.2 8,-2.4 -2,-0.6 2,-0.4 -0.887 2.8-156.1-112.7 124.7 71.8 47.7 -8.5 21 36 A V E J 0 50C 56 29,-3.0 28,-2.4 -2,-0.5 29,-1.4 -0.783 360.0 360.0 -98.1 137.0 74.0 47.4 -11.6 22 36AA T 0 0 57 3,-0.6 3,-0.7 -2,-0.4 26,-0.0 -0.939 360.0 360.0-125.3 360.0 73.2 49.1 -15.0 23 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 24 36CA N 0 0 179 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.3 75.8 52.8 -18.5 25 37 A G - 0 0 36 -3,-0.7 -3,-0.6 3,-0.0 3,-0.1 -0.973 360.0 -77.2-164.5 171.7 76.6 54.0 -15.1 26 38 A P - 0 0 110 0, 0.0 -6,-0.0 0, 0.0 -4,-0.0 -0.185 68.1 -64.8 -71.5 171.0 78.0 53.0 -11.6 27 39 A S - 0 0 44 -6,-0.1 2,-0.3 1,-0.0 -6,-0.2 -0.173 47.9-158.2 -54.6 145.2 76.1 51.0 -9.0 28 40 A K E -I 20 0C 132 -8,-2.4 -8,-3.2 -3,-0.1 2,-0.3 -0.794 10.1-136.2-118.9 167.8 73.0 52.5 -7.4 29 41 A F E +I 19 0C 81 -2,-0.3 2,-0.3 -10,-0.2 146,-0.2 -0.948 24.1 161.8-134.1 146.7 71.4 51.5 -4.1 30 42 A a E -I 18 0C 11 -12,-1.8 -12,-2.8 -2,-0.3 2,-0.2 -0.920 29.1-118.4-144.7 171.6 68.0 50.9 -2.6 31 43 A G E +I 17 0C 1 146,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.509 32.6 160.1-101.3-178.0 66.3 49.2 0.3 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-2.7 -2,-0.2 2,-0.4 -0.953 27.9-117.7 177.6 178.7 63.9 46.3 0.3 33 45 A F E -IK 15 41C 0 8,-2.1 8,-2.9 -2,-0.3 2,-0.6 -0.998 19.3-118.0-147.7 139.7 62.5 43.7 2.6 34 46 A L E + K 0 40C 0 -20,-2.7 74,-2.6 -2,-0.4 6,-0.2 -0.643 35.1 163.1 -78.0 117.0 62.4 39.9 2.8 35 47 A I E S+ 0 0 2 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.607 72.5 17.1-110.3 -20.1 58.9 38.5 2.6 36 48 A R E > S- K 0 39C 99 3,-1.6 3,-1.6 70,-0.1 -1,-0.3 -0.923 92.1-100.0-137.0 164.2 59.7 34.9 1.7 37 49 A R T 3 S+ 0 0 106 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.797 126.3 28.8 -58.2 -24.5 63.1 33.1 2.1 38 50 A N T 3 S+ 0 0 28 60,-0.2 57,-2.6 58,-0.1 2,-0.4 0.138 110.9 78.2-120.5 20.0 63.6 33.7 -1.6 39 51 A F E < -KL 36 94C 5 -3,-1.6 -4,-2.4 55,-0.2 -3,-1.6 -0.984 49.8-172.2-134.5 131.5 61.7 36.9 -2.3 40 52 A V E -KL 34 93C 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.952 15.4-145.2-115.2 133.1 62.4 40.5 -1.6 41 53 A L E +KL 33 92C 0 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.2 -0.804 36.3 138.7 -95.9 138.6 59.9 43.3 -2.0 42 54 A T E - L 0 91C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.815 51.0 -61.7-157.1-167.6 61.1 46.7 -3.2 43 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.703 33.8-129.6 -94.5 147.7 60.3 49.6 -5.6 44 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.793 106.1 65.0 -62.6 -31.6 60.1 49.3 -9.4 45 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.3 41,-0.1 132,-0.0 0.605 89.7 68.8 -73.6 -4.7 62.4 52.2 -9.9 46 58 A a G < S+ 0 0 3 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.350 74.1 122.8 -88.4 4.1 65.2 50.2 -8.3 47 59 A A < + 0 0 25 -3,-1.7 2,-0.2 -27,-0.1 -27,-0.1 -0.287 32.8 153.4 -64.5 150.7 65.2 47.8 -11.3 48 60 A G - 0 0 22 1,-0.1 -26,-0.2 -26,-0.0 3,-0.1 -0.856 60.6 -75.6-156.7-167.5 68.5 47.4 -13.2 49 61 A R S S- 0 0 191 -28,-2.4 2,-0.3 1,-0.3 -27,-0.2 0.880 113.6 -10.2 -71.4 -38.0 70.5 45.0 -15.3 50 63 A S E -J 21 0C 52 -29,-1.4 -29,-3.0 -3,-0.0 2,-0.4 -0.983 66.1-153.2-155.9 159.9 71.3 42.9 -12.2 51 64 A I E -J 20 0C 6 21,-0.3 21,-1.2 -2,-0.3 2,-0.4 -0.991 3.1-158.0-136.9 141.5 70.9 43.2 -8.5 52 65 A T E -JM 19 71C 51 -33,-2.3 -33,-2.5 -2,-0.4 2,-0.5 -0.971 14.2-151.3-116.1 138.2 72.7 41.9 -5.4 53 66 A V E -JM 18 70C 0 17,-2.5 17,-3.4 -2,-0.4 2,-0.6 -0.915 4.3-161.9-109.3 130.4 70.9 41.7 -2.0 54 67 A T E -JM 17 69C 10 -37,-2.7 -37,-2.2 -2,-0.5 3,-0.3 -0.967 12.4-174.9-109.6 119.2 72.7 41.9 1.3 55 68 A L E +JM 16 68C 0 13,-2.9 13,-2.3 -2,-0.6 -39,-0.1 -0.741 62.8 35.5-102.6 159.2 70.7 40.6 4.3 56 69 A G S S+ 0 0 4 -41,-0.6 2,-0.2 48,-0.4 -1,-0.2 0.593 84.3 142.2 79.1 12.6 71.8 40.7 7.9 57 70 A A + 0 0 8 -42,-0.3 -47,-0.3 -3,-0.3 -1,-0.2 -0.540 21.9 154.6 -89.2 150.8 73.6 44.1 7.6 58 71 A H S S+ 0 0 11 1,-0.3 2,-0.9 4,-0.2 78,-0.6 0.375 83.4 31.1-124.4 -72.3 73.8 47.0 9.9 59 72 A N B > S-O 135 0D 37 3,-0.2 3,-1.7 76,-0.2 -1,-0.3 -0.815 76.7-160.0 -83.5 108.2 77.0 48.9 9.1 60 73 A I T 3 S+ 0 0 25 74,-2.7 -1,-0.1 -2,-0.9 75,-0.1 0.546 86.2 56.6 -74.8 -4.6 77.1 48.2 5.4 61 74 A T T 3 S+ 0 0 91 73,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.500 97.1 71.1 -97.3 -5.4 80.9 49.0 5.2 62 75 A E S < S- 0 0 120 -3,-1.7 -4,-0.2 72,-0.2 -3,-0.2 -0.888 77.2-144.5-121.5 98.8 81.8 46.4 7.9 63 77 A E + 0 0 151 -2,-0.6 2,-0.3 -3,-0.1 -2,-0.0 -0.280 28.5 168.7 -60.6 140.6 81.5 42.8 6.8 64 78 A E > - 0 0 56 1,-0.0 3,-2.0 -8,-0.0 -1,-0.0 -0.963 50.2 -96.6-150.7 168.0 80.3 40.4 9.5 65 79 A D T 3 S+ 0 0 176 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.743 116.2 65.2 -62.5 -23.3 79.1 36.8 10.0 66 79AA T T 3 S+ 0 0 35 -10,-0.1 -1,-0.3 2,-0.0 -9,-0.1 0.686 80.8 108.1 -69.8 -18.9 75.4 38.0 9.9 67 80 A W < - 0 0 43 -3,-2.0 2,-0.4 -11,-0.1 -11,-0.2 -0.362 44.5-177.4 -65.8 135.9 75.8 39.0 6.3 68 81 A Q E -M 55 0C 29 -13,-2.3 -13,-2.9 -2,-0.1 2,-0.6 -0.942 8.3-164.3-127.2 111.6 74.2 37.0 3.6 69 82 A K E -M 54 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.871 18.5-171.1 -95.9 117.1 75.0 38.3 0.1 70 83 A L E -M 53 0C 29 -17,-3.4 -17,-2.5 -2,-0.6 2,-0.2 -0.924 21.3-126.9-124.2 135.3 72.6 36.8 -2.3 71 84 A E E -M 52 0C 109 -2,-0.4 25,-2.7 -19,-0.2 2,-0.6 -0.456 19.8-136.7 -70.1 141.6 72.2 36.7 -6.0 72 85 A V E -N 95 0C 16 -21,-1.2 -21,-0.3 23,-0.3 23,-0.3 -0.925 15.3-171.3-100.2 122.9 69.0 37.7 -7.6 73 86 A I E + 0 0 89 21,-2.1 2,-0.3 -2,-0.6 22,-0.1 0.852 68.3 8.0 -80.0 -36.7 67.9 35.4 -10.4 74 87 A K E -N 94 0C 114 20,-1.1 20,-2.5 2,-0.0 2,-0.5 -0.998 60.4-142.0-151.2 139.6 65.0 37.4 -11.8 75 88 A Q E -N 93 0C 55 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.904 8.4-162.9-102.4 132.7 63.4 40.8 -11.3 76 89 A F E -N 92 0C 20 16,-3.3 16,-2.2 -2,-0.5 2,-0.3 -0.775 14.2-176.4-113.7 83.2 59.6 41.1 -11.4 77 90 A R E -N 91 0C 141 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.589 42.5 -93.8 -78.7 139.9 58.9 44.7 -12.0 78 91 A H > - 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H 0 189B 59 -47,-2.6 3,-1.1 -2,-0.2 4,-0.6 -0.756 19.7-160.1 -84.8 104.7 50.0 51.3 -0.8 207 231 A I H >> S+ 0 0 4 -19,-2.0 3,-1.7 -2,-0.9 4,-0.6 0.858 81.5 66.6 -57.5 -38.3 50.9 47.6 -0.5 208 232 A S H >4 S+ 0 0 73 -20,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.815 95.8 56.8 -56.0 -35.0 47.3 46.5 0.0 209 233 A H H <4 S+ 0 0 76 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.814 110.9 43.9 -64.0 -29.9 46.4 47.5 -3.5 210 234 A Y H S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.924 112.1 47.8 -63.4 -38.3 46.8 40.2 -5.5 213 237 A W H > S+ 0 0 32 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 112.4 49.7 -64.1 -43.5 49.7 40.9 -7.9 214 238 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.954 111.4 48.1 -58.6 -51.4 52.2 39.9 -5.2 215 239 A N H X S+ 0 0 61 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.869 109.2 54.2 -57.7 -39.5 50.4 36.7 -4.4 216 240 A Q H X S+ 0 0 100 -4,-2.1 4,-1.7 -5,-0.2 3,-0.5 0.911 110.8 44.8 -62.5 -43.7 50.2 35.8 -8.1 217 241 A I H X S+ 0 0 15 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.909 109.2 56.5 -65.4 -42.4 53.9 36.2 -8.6 218 242 A L H < S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.691 113.3 42.2 -64.8 -17.7 54.6 34.2 -5.4 219 243 A Q H < S+ 0 0 157 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.728 111.0 51.1-100.8 -27.7 52.6 31.4 -6.9 220 244 A A H < 0 0 75 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.522 360.0 360.0 -84.5 -6.6 53.9 31.4 -10.5 221 245 A N < 0 0 72 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.1 0.063 360.0 360.0-138.6 360.0 57.5 31.3 -9.4