==== 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 09-APR-13 4K2Y . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.K.COLLINS,A.K.PADYANA . 217 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 66.8 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 . 73 33.6 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 0.5 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 . 1 0.5 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 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.5 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 0 0 0 1 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 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 0.000 360.0 360.0 360.0 124.7 66.4 58.5 6.3 2 17 A I B +A 168 0A 20 166,-4.1 166,-2.2 1,-0.2 122,-0.1 -0.872 360.0 5.8-102.4 127.9 66.1 62.1 7.4 3 18 A G S S+ 0 0 49 -2,-0.5 -1,-0.2 120,-0.4 164,-0.2 0.784 101.9 123.2 78.7 29.2 65.6 63.0 11.1 4 19 A G - 0 0 26 -3,-0.4 2,-0.3 132,-0.1 132,-0.2 -0.491 56.6-116.1-114.9-177.8 65.8 59.4 12.3 5 20 A T E -B 135 0B 97 130,-2.3 130,-2.6 -2,-0.2 2,-0.2 -0.865 37.1 -95.0-118.2 154.3 67.8 57.3 14.8 6 21 A E E -B 134 0B 104 -2,-0.3 128,-0.3 128,-0.2 127,-0.1 -0.507 46.5-119.0 -66.8 129.8 70.2 54.4 14.2 7 22 A C - 0 0 4 126,-3.2 126,-0.1 -2,-0.2 -1,-0.1 -0.253 28.9 -98.1 -62.9 154.3 68.4 51.1 14.6 8 23 A K > - 0 0 161 1,-0.1 3,-2.4 2,-0.0 4,-0.2 -0.662 62.5 -91.8 -64.4 127.0 69.4 48.5 17.2 9 24 A P T 3 S+ 0 0 64 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.240 106.3 0.5 -55.2 127.4 71.6 46.3 15.0 10 25 A H T 3 S+ 0 0 53 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.638 88.7 127.4 69.0 18.4 69.5 43.4 13.5 11 26 A S S < S+ 0 0 56 -3,-2.4 -1,-0.1 1,-0.3 93,-0.0 0.577 77.7 46.0 -76.4 -8.5 66.3 44.7 15.2 12 27 A R S > S+ 0 0 21 -4,-0.2 3,-2.2 92,-0.1 -1,-0.3 -0.631 70.4 173.5-133.4 74.6 64.8 44.5 11.7 13 28 A P T 3 S+ 0 0 38 0, 0.0 93,-1.0 0, 0.0 43,-0.4 0.621 73.8 60.9 -67.0 -16.4 65.9 41.1 10.3 14 29 A Y T 3 S+ 0 0 27 91,-0.2 20,-2.3 93,-0.1 94,-0.1 0.539 75.3 118.7 -82.4 -11.2 63.8 41.4 7.2 15 30 A M E < -I 33 0C 5 -3,-2.2 41,-0.6 18,-0.2 2,-0.4 -0.351 48.3-160.2 -63.6 135.2 65.5 44.5 5.9 16 31 A A E -IJ 32 55C 0 16,-3.0 16,-0.6 25,-0.1 2,-0.6 -0.971 9.6-150.6-119.8 134.9 67.3 44.0 2.6 17 32 A Y E -IJ 31 54C 38 37,-2.0 37,-2.4 -2,-0.4 2,-0.5 -0.916 19.9-154.7-104.9 119.8 70.1 46.2 1.2 18 33 A L E -IJ 30 53C 0 12,-3.0 12,-1.5 -2,-0.6 2,-0.6 -0.826 14.7-167.2-105.8 124.9 70.0 46.3 -2.6 19 34 A E E -IJ 29 52C 70 33,-2.7 33,-2.5 -2,-0.5 2,-0.4 -0.945 19.6-159.8-106.9 118.9 72.9 47.0 -4.9 20 35 A I E -IJ 28 51C 6 8,-3.8 8,-2.1 -2,-0.6 2,-0.5 -0.838 5.1-152.9-108.9 131.9 71.6 47.6 -8.5 21 36 A V E + J 0 50C 55 29,-3.6 28,-2.3 -2,-0.4 29,-1.5 -0.871 14.0 176.5-105.4 126.0 73.6 47.3 -11.7 22 36AA T - 0 0 39 3,-0.5 3,-0.2 -2,-0.5 26,-0.1 -0.812 34.0-123.9-114.6 167.8 72.8 49.2 -14.9 23 36BA S S S+ 0 0 114 -2,-0.3 -1,-0.0 1,-0.2 25,-0.0 0.716 102.5 42.4 -86.3 -19.1 74.9 49.1 -18.1 24 36CA N S S+ 0 0 159 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 0.377 116.1 25.1-111.0 3.3 75.6 52.9 -18.5 25 37 A G S S- 0 0 34 -3,-0.2 -3,-0.5 1,-0.1 3,-0.1 -0.954 86.2 -75.5-153.9 174.7 76.5 54.0 -15.0 26 38 A P - 0 0 114 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.112 68.1 -64.4 -67.8 171.5 77.8 53.0 -11.6 27 39 A S - 0 0 48 -6,-0.1 2,-0.3 1,-0.1 -6,-0.2 -0.086 45.9-155.3 -53.3 150.5 75.8 51.0 -9.0 28 40 A K E -I 20 0C 140 -8,-2.1 -8,-3.8 -3,-0.1 2,-0.4 -0.885 8.6-139.3-124.2 163.6 72.7 52.3 -7.3 29 41 A F E +I 19 0C 85 -2,-0.3 2,-0.3 -10,-0.2 143,-0.2 -0.954 22.8 162.1-131.9 140.9 71.2 51.3 -4.0 30 42 A a E -I 18 0C 10 -12,-1.5 -12,-3.0 -2,-0.4 145,-0.2 -0.894 29.0-120.6-140.0 171.9 67.7 50.7 -2.6 31 43 A G E +I 17 0C 0 143,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.440 33.6 156.8-101.8-174.1 66.1 49.1 0.4 32 44 A G E -I 16 0C 0 -16,-0.6 -16,-3.0 -2,-0.2 2,-0.4 -0.952 29.7-111.9 169.2 177.8 63.6 46.3 0.5 33 45 A F E -IK 15 41C 2 8,-2.3 8,-3.0 -2,-0.3 2,-0.6 -0.997 18.4-119.4-147.4 140.7 62.2 43.5 2.7 34 46 A L E + K 0 40C 0 -20,-2.3 74,-2.6 -2,-0.4 6,-0.2 -0.643 34.7 162.5 -79.0 113.7 62.2 39.7 2.8 35 47 A I E S+ 0 0 18 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.608 73.3 21.9-106.6 -18.4 58.7 38.4 2.6 36 48 A R E > S- K 0 39C 106 3,-1.9 3,-1.2 73,-0.1 -1,-0.3 -0.949 91.3-104.3-138.0 157.3 59.6 34.8 1.7 37 49 A R T 3 S+ 0 0 109 -2,-0.3 62,-3.2 1,-0.3 60,-0.1 0.808 126.1 25.5 -53.5 -29.0 62.9 33.1 2.2 38 50 A N T 3 S+ 0 0 28 60,-0.3 57,-3.7 58,-0.1 2,-0.4 0.266 111.6 81.0-117.6 11.0 63.5 33.6 -1.5 39 51 A F E < -KL 36 94C 4 -3,-1.2 -4,-2.1 55,-0.2 -3,-1.9 -0.976 51.0-173.1-124.6 128.9 61.4 36.6 -2.2 40 52 A V E -KL 34 93C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.962 13.2-147.5-118.1 130.9 62.2 40.3 -1.6 41 53 A L E +KL 33 92C 3 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.2 -0.793 34.9 136.1-100.0 138.8 59.8 43.2 -2.1 42 54 A T E - L 0 91C 0 49,-2.5 49,-2.5 -2,-0.4 2,-0.3 -0.830 52.1 -56.3-157.5-167.0 61.0 46.6 -3.2 43 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.667 34.8-130.1 -91.0 144.7 60.2 49.5 -5.6 44 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.837 106.7 61.6 -54.6 -37.7 59.8 49.1 -9.3 45 57 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.536 90.1 69.1 -77.0 -2.6 62.2 52.0 -9.9 46 58 A a G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.388 75.5 122.0 -88.1 0.4 65.0 50.1 -8.3 47 59 A A < + 0 0 25 -3,-1.8 2,-0.3 -4,-0.1 -27,-0.1 -0.249 34.8 155.0 -60.2 150.4 65.0 47.6 -11.2 48 60 A G - 0 0 23 1,-0.1 -26,-0.2 -26,-0.1 3,-0.1 -0.888 59.3 -75.5-156.9-172.3 68.3 47.2 -13.2 49 61 A R S S- 0 0 176 -28,-2.3 2,-0.3 1,-0.3 -27,-0.2 0.928 114.7 -10.4 -61.7 -47.8 70.4 44.9 -15.4 50 63 A S E -J 21 0C 55 -29,-1.5 -29,-3.6 -3,-0.1 2,-0.4 -0.986 66.9-153.8-148.7 161.0 71.2 42.9 -12.3 51 64 A I E -J 20 0C 6 -2,-0.3 21,-1.1 21,-0.3 2,-0.4 -0.996 2.7-158.3-138.8 137.5 70.8 43.1 -8.6 52 65 A T E -JM 19 71C 49 -33,-2.5 -33,-2.7 -2,-0.4 2,-0.5 -0.923 13.9-151.5-111.8 142.3 72.5 41.7 -5.5 53 66 A V E -JM 18 70C 0 17,-3.1 17,-4.7 -2,-0.4 2,-0.6 -0.949 5.5-163.3-116.7 127.9 70.8 41.5 -2.1 54 67 A T E -JM 17 69C 10 -37,-2.4 -37,-2.0 -2,-0.5 3,-0.3 -0.950 11.9-173.0-108.2 116.7 72.6 41.6 1.3 55 68 A L E +JM 16 68C 0 13,-3.7 13,-2.5 -2,-0.6 -39,-0.1 -0.710 63.9 34.0 -98.5 158.8 70.5 40.3 4.2 56 69 A G S S+ 0 0 3 -41,-0.6 2,-0.2 -43,-0.4 -1,-0.2 0.624 84.2 143.0 78.8 15.9 71.5 40.6 7.9 57 70 A A + 0 0 7 -42,-0.3 -47,-0.3 -3,-0.3 -1,-0.2 -0.593 21.7 154.6 -96.0 146.7 73.3 43.9 7.6 58 71 A H S S+ 0 0 10 1,-0.4 2,-0.9 -2,-0.2 75,-0.3 0.425 82.5 32.1-119.5 -77.3 73.5 46.9 9.9 59 72 A N S > S- 0 0 31 73,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.773 77.0-160.7 -80.1 108.8 76.7 48.8 9.2 60 73 A I T 3 S+ 0 0 23 71,-3.2 -1,-0.1 -2,-0.9 72,-0.1 0.534 83.4 58.1 -77.5 -5.4 76.9 48.1 5.4 61 74 A T T 3 S+ 0 0 96 70,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.623 97.0 68.7 -97.3 -13.7 80.6 48.9 5.2 62 75 A E S < S- 0 0 115 -3,-1.2 -4,-0.2 69,-0.2 -3,-0.2 -0.888 78.7-138.3-113.8 107.8 81.7 46.2 7.7 63 77 A E + 0 0 158 -2,-0.6 2,-0.3 -3,-0.1 -2,-0.1 -0.213 30.5 168.6 -57.0 143.4 81.4 42.6 6.8 64 78 A E > - 0 0 58 1,-0.0 3,-1.8 0, 0.0 -1,-0.0 -0.979 49.6 -99.9-155.0 164.4 80.1 40.2 9.5 65 79 A D T 3 S+ 0 0 175 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.739 115.8 66.1 -61.3 -26.7 78.8 36.7 10.0 66 79AA T T 3 S+ 0 0 36 -10,-0.1 -1,-0.3 2,-0.0 -9,-0.1 0.794 81.9 108.5 -60.5 -27.9 75.1 37.9 10.0 67 80 A W < - 0 0 41 -3,-1.8 2,-0.4 -11,-0.1 -11,-0.2 -0.237 43.8-179.2 -59.8 131.5 75.6 38.9 6.3 68 81 A Q E -M 55 0C 31 -13,-2.5 -13,-3.7 2,-0.0 2,-0.6 -0.927 8.3-166.0-126.4 106.6 73.9 36.9 3.6 69 82 A K E -M 54 0C 119 -2,-0.4 2,-0.4 -15,-0.3 -15,-0.3 -0.851 19.1-169.6 -89.7 118.9 74.8 38.3 0.1 70 83 A L E -M 53 0C 30 -17,-4.7 -17,-3.1 -2,-0.6 2,-0.2 -0.918 20.2-127.4-123.3 138.8 72.3 36.8 -2.2 71 84 A E E -M 52 0C 109 -2,-0.4 25,-2.5 -19,-0.2 2,-0.6 -0.536 19.6-135.6 -74.0 142.8 72.0 36.6 -6.0 72 85 A V E -N 95 0C 17 -21,-1.1 -21,-0.3 23,-0.2 23,-0.2 -0.910 17.0-173.2 -98.8 122.1 68.8 37.7 -7.6 73 86 A I E + 0 0 93 21,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.916 68.6 9.1 -77.7 -44.9 67.7 35.2 -10.4 74 87 A K E -N 94 0C 111 20,-0.9 20,-2.5 2,-0.0 2,-0.5 -0.989 61.1-143.1-141.6 144.0 64.7 37.1 -11.8 75 88 A Q E -N 93 0C 51 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.940 9.2-165.6-107.4 124.1 63.1 40.6 -11.4 76 89 A F E -N 92 0C 22 16,-3.5 16,-2.3 -2,-0.5 2,-0.2 -0.756 13.3-178.8-107.9 84.3 59.3 40.9 -11.4 77 90 A R E -N 91 0C 128 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.573 43.5 -92.7 -76.7 143.9 58.6 44.5 -11.9 78 91 A H > - 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