==== 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 4K69 . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.K.COLLINS,A.K.PADYANA . 215 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 64.7 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 . 76 35.3 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 1.9 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 5.1 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 6 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.3 66.3 58.4 6.3 2 17 A I B +A 166 0A 20 164,-3.3 164,-1.9 1,-0.2 120,-0.1 -0.868 360.0 4.4-102.0 128.2 66.1 62.0 7.5 3 18 A G S S+ 0 0 48 -2,-0.5 132,-0.2 118,-0.4 -1,-0.2 0.700 101.1 121.5 78.3 20.0 65.5 62.8 11.1 4 19 A G - 0 0 23 -3,-0.4 2,-0.3 130,-0.1 130,-0.2 -0.177 56.4-117.6 -99.5-166.4 65.7 59.2 12.3 5 20 A T E -B 133 0B 102 128,-2.3 128,-2.3 -2,-0.1 2,-0.2 -0.954 32.6 -92.4-134.6 153.9 67.9 57.3 14.7 6 21 A E E -B 132 0B 109 -2,-0.3 126,-0.2 126,-0.2 2,-0.1 -0.464 44.1-127.2 -65.7 131.8 70.3 54.4 14.3 7 22 A C - 0 0 12 124,-2.6 124,-0.1 -2,-0.2 3,-0.1 -0.436 26.2 -99.6 -73.2 150.9 68.7 51.0 14.9 8 23 A K > - 0 0 162 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.576 64.2 -86.3 -60.0 132.6 70.1 48.5 17.3 9 24 A P T 3 S+ 0 0 63 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.214 107.8 1.1 -54.0 129.4 71.9 46.2 15.0 10 25 A H T 3 S+ 0 0 48 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.529 87.5 126.9 73.6 12.4 69.7 43.5 13.4 11 26 A S S < S+ 0 0 42 -3,-2.1 -1,-0.1 1,-0.3 3,-0.1 0.574 76.2 47.0 -76.3 -8.6 66.6 44.6 15.2 12 27 A R S > S+ 0 0 57 -4,-0.2 3,-2.2 92,-0.1 -1,-0.3 -0.665 73.0 172.9-126.1 74.0 64.8 44.8 11.8 13 28 A P T 3 + 0 0 38 0, 0.0 93,-1.4 0, 0.0 43,-0.3 0.565 69.2 63.0 -73.5 -6.5 65.9 41.4 10.4 14 29 A Y T 3 S+ 0 0 18 91,-0.2 20,-2.6 93,-0.1 94,-0.2 0.520 76.4 117.3 -86.0 -8.9 63.7 41.5 7.3 15 30 A M B < -I 33 0C 5 -3,-2.2 41,-0.5 18,-0.2 2,-0.4 -0.401 48.3-160.2 -70.6 136.4 65.5 44.6 5.9 16 31 A A E -M 55 0D 0 16,-2.6 2,-0.5 25,-0.1 16,-0.5 -0.934 9.8-150.0-119.1 136.8 67.3 44.1 2.6 17 32 A Y E -M 54 0D 40 37,-2.3 37,-2.7 -2,-0.4 2,-0.5 -0.934 21.0-157.9-106.3 121.8 70.1 46.2 1.1 18 33 A L E -MN 53 30D 0 12,-3.0 12,-2.0 -2,-0.5 2,-0.6 -0.880 14.5-163.2-111.2 128.2 70.0 46.2 -2.7 19 34 A E E -MN 52 29D 75 33,-2.5 33,-2.1 -2,-0.5 2,-0.6 -0.946 17.8-155.5-104.3 121.0 72.9 47.0 -5.0 20 35 A I E -MN 51 28D 2 8,-3.2 8,-2.4 -2,-0.6 2,-0.4 -0.869 3.9-158.7-107.5 121.5 71.5 47.7 -8.5 21 36 A V E +M 50 0D 53 29,-3.1 28,-2.1 -2,-0.6 29,-1.6 -0.804 12.4 177.5-100.2 133.3 73.7 47.2 -11.5 22 36AA T E > - N 0 25D 32 3,-0.6 3,-0.6 -2,-0.4 26,-0.0 -0.912 35.8-119.4-129.5 162.9 73.0 48.9 -14.9 23 36BA S T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 25,-0.0 0.787 105.9 35.8 -71.8 -28.3 74.9 48.8 -18.2 24 36CA N T 3 S+ 0 0 152 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.086 115.1 35.9-121.8 20.7 75.7 52.5 -18.5 25 37 A G E < S-N 22 0D 35 -3,-0.6 -3,-0.6 3,-0.0 3,-0.1 -0.981 83.7 -83.9-161.1 167.2 76.3 53.8 -14.9 26 38 A P E - 0 0 113 0, 0.0 -2,-0.1 0, 0.0 -6,-0.0 -0.196 68.2 -63.4 -69.3 168.9 77.8 52.9 -11.6 27 39 A S E - 0 0 44 -6,-0.1 2,-0.3 1,-0.0 -6,-0.2 -0.185 49.0-159.0 -53.8 141.9 75.9 50.9 -8.9 28 40 A K E -N 20 0D 104 -8,-2.4 -8,-3.2 -3,-0.1 2,-0.4 -0.728 11.0-136.2-113.4 170.4 72.8 52.4 -7.4 29 41 A F E +N 19 0D 86 -2,-0.3 2,-0.3 -10,-0.2 143,-0.2 -0.971 23.8 163.4-137.7 145.1 71.2 51.4 -4.1 30 42 A a E -N 18 0D 9 -12,-2.0 -12,-3.0 -2,-0.4 143,-0.2 -0.920 27.3-123.4-142.5 168.5 67.8 50.7 -2.6 31 43 A G + 0 0 1 141,-2.8 12,-0.3 -2,-0.3 2,-0.3 -0.342 32.5 156.8 -97.2-166.7 66.1 49.1 0.3 32 44 A G - 0 0 0 -16,-0.5 -16,-2.6 -2,-0.1 2,-0.3 -0.934 30.0-113.1 163.2 177.1 63.6 46.3 0.3 33 45 A F E -IJ 15 41C 4 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -1.000 19.6-116.2-148.6 143.6 62.3 43.6 2.6 34 46 A L E + J 0 40C 0 -20,-2.6 74,-2.6 -2,-0.3 6,-0.2 -0.656 34.9 163.9 -79.1 117.9 62.3 39.8 2.8 35 47 A I E S+ 0 0 18 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.638 72.2 15.8-109.0 -21.1 58.7 38.4 2.6 36 48 A R E > S- J 0 39C 124 3,-1.7 3,-1.7 70,-0.1 -1,-0.3 -0.924 91.3 -99.9-138.8 163.6 59.6 34.8 1.8 37 49 A R T 3 S+ 0 0 107 -2,-0.3 62,-2.9 1,-0.3 60,-0.1 0.806 126.6 29.5 -58.9 -24.8 62.9 33.0 2.2 38 50 A N T 3 S+ 0 0 29 60,-0.2 57,-2.6 58,-0.1 2,-0.4 0.130 111.4 77.0-120.0 20.5 63.4 33.5 -1.6 39 51 A F E < -JK 36 94C 4 -3,-1.7 -4,-2.5 55,-0.2 -3,-1.7 -0.985 49.6-172.7-136.3 133.4 61.5 36.7 -2.2 40 52 A V E -JK 34 93C 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.948 14.2-146.4-116.5 135.6 62.2 40.4 -1.6 41 53 A L E +JK 33 92C 5 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.3 -0.816 34.8 139.9 -96.1 142.3 59.8 43.2 -2.1 42 54 A T E - K 0 91C 0 49,-2.3 49,-2.4 -2,-0.4 2,-0.3 -0.860 52.4 -61.2-158.6-170.8 61.0 46.6 -3.2 43 55 A A > - 0 0 0 -12,-0.3 3,-1.6 -2,-0.3 47,-0.3 -0.643 34.7-131.3 -86.1 144.8 60.2 49.5 -5.5 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.778 105.2 68.0 -61.5 -30.6 59.9 49.1 -9.3 45 57 A H G 3 S+ 0 0 57 1,-0.3 -1,-0.3 44,-0.1 127,-0.0 0.570 89.1 67.7 -69.8 -5.3 62.1 52.1 -9.8 46 58 A a G < S+ 0 0 2 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.321 73.3 125.2 -92.0 5.7 64.9 50.0 -8.4 47 59 A A < + 0 0 25 -3,-1.8 2,-0.3 -27,-0.1 -27,-0.1 -0.299 32.2 155.6 -63.8 150.1 64.9 47.6 -11.4 48 60 A G - 0 0 22 1,-0.1 -26,-0.2 -26,-0.0 3,-0.1 -0.870 59.9 -79.7-156.2-171.7 68.2 47.1 -13.2 49 61 A R S S- 0 0 172 -28,-2.1 2,-0.3 1,-0.3 -27,-0.2 0.873 114.0 -8.9 -70.0 -35.9 70.2 44.8 -15.3 50 63 A S E -M 21 0D 53 -29,-1.6 -29,-3.1 -3,-0.0 2,-0.4 -0.980 66.3-154.5-155.9 158.9 71.0 42.8 -12.2 51 64 A I E -M 20 0D 4 21,-0.3 21,-1.1 -2,-0.3 2,-0.4 -0.993 2.3-157.6-136.8 140.7 70.6 43.2 -8.5 52 65 A T E -MO 19 71D 56 -33,-2.1 -33,-2.5 -2,-0.4 2,-0.5 -0.965 13.4-151.5-115.6 140.6 72.4 41.8 -5.4 53 66 A V E -MO 18 70D 0 17,-2.5 17,-3.3 -2,-0.4 2,-0.6 -0.923 4.7-162.5-112.4 130.6 70.7 41.6 -2.1 54 67 A T E -MO 17 69D 17 -37,-2.7 -37,-2.3 -2,-0.5 3,-0.3 -0.972 12.2-174.6-111.5 117.4 72.5 41.7 1.3 55 68 A L E +MO 16 68D 0 13,-2.7 13,-2.3 -2,-0.6 -39,-0.1 -0.717 63.2 35.7 -99.9 158.6 70.5 40.4 4.2 56 69 A G S S+ 0 0 3 -41,-0.5 2,-0.2 48,-0.4 -1,-0.2 0.586 84.0 143.3 79.3 12.5 71.6 40.6 7.9 57 70 A A + 0 0 8 -42,-0.3 -47,-0.3 -3,-0.3 -1,-0.2 -0.517 21.5 154.3 -89.0 149.9 73.3 44.0 7.5 58 71 A H S S+ 0 0 10 1,-0.3 2,-0.9 4,-0.2 73,-0.5 0.366 83.8 28.8-123.5 -73.7 73.6 46.9 9.9 59 72 A N S > S- 0 0 38 3,-0.2 3,-1.6 71,-0.2 -1,-0.3 -0.819 76.8-160.9 -84.7 107.9 76.8 48.8 9.1 60 73 A I T 3 S+ 0 0 30 69,-2.7 -1,-0.1 -2,-0.9 70,-0.1 0.524 85.1 58.3 -75.0 -3.7 76.9 48.0 5.3 61 74 A T T 3 S+ 0 0 89 68,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.534 96.9 70.4 -94.7 -8.1 80.6 48.9 5.1 62 75 A E S < S- 0 0 121 -3,-1.6 -4,-0.2 67,-0.2 -3,-0.2 -0.875 78.0-144.3-120.5 97.1 81.6 46.3 7.7 63 77 A E + 0 0 140 -2,-0.6 2,-0.3 -3,-0.1 -2,-0.0 -0.281 29.2 167.6 -59.7 139.5 81.3 42.6 6.7 64 78 A E > - 0 0 58 1,-0.0 3,-1.8 -8,-0.0 -1,-0.0 -0.953 50.4 -95.4-151.4 168.8 80.1 40.3 9.4 65 79 A D T 3 S+ 0 0 174 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.742 116.1 64.5 -63.4 -24.3 78.9 36.7 9.9 66 79AA T T 3 S+ 0 0 34 -10,-0.1 -1,-0.3 2,-0.0 -9,-0.1 0.707 81.0 107.7 -70.3 -19.8 75.2 37.8 9.9 67 80 A W < - 0 0 42 -3,-1.8 2,-0.4 -11,-0.1 -11,-0.2 -0.354 45.2-176.3 -64.4 134.5 75.6 38.9 6.2 68 81 A Q E -O 55 0D 29 -13,-2.3 -13,-2.7 -2,-0.1 2,-0.7 -0.947 8.0-164.2-124.5 110.0 73.9 36.8 3.5 69 82 A K E -O 54 0D 119 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.858 18.5-171.4 -93.7 118.8 74.8 38.2 0.1 70 83 A L E -O 53 0D 29 -17,-3.3 -17,-2.5 -2,-0.7 2,-0.1 -0.937 21.5-126.8-125.1 134.7 72.3 36.6 -2.3 71 84 A E E -O 52 0D 112 -2,-0.4 25,-2.7 -19,-0.2 2,-0.6 -0.456 18.5-140.0 -69.2 141.1 72.0 36.5 -6.0 72 85 A V E -L 95 0C 16 -21,-1.1 -21,-0.3 23,-0.3 23,-0.3 -0.928 16.2-174.8-100.5 122.9 68.7 37.6 -7.6 73 86 A I E + 0 0 68 21,-2.1 2,-0.4 -2,-0.6 22,-0.1 0.863 66.9 15.9 -86.2 -34.5 67.7 35.4 -10.5 74 87 A K E -L 94 0C 112 20,-1.2 20,-2.5 2,-0.0 2,-0.5 -0.999 60.9-147.0-144.1 139.9 64.7 37.2 -11.8 75 88 A Q E -L 93 0C 56 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.910 7.0-163.1-105.1 133.7 63.1 40.6 -11.3 76 89 A F E -L 92 0C 20 16,-3.3 16,-2.3 -2,-0.5 2,-0.3 -0.776 12.1-175.1-116.5 83.8 59.3 40.9 -11.4 77 90 A R E -L 91 0C 134 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.592 42.0 -94.7 -77.0 138.1 58.5 44.6 -11.9 78 91 A H > - 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