==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-10 3N7O . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.ABAD,J.KERVINEN,C.CRYSLER,S.BAYOUMY,J.SPURLINO,I.DECKMAN . 223 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 63.7 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 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 . 2 0.9 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.9 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 . 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.7 -24.2 -42.8 -50.4 2 17 A I B +A 174 0A 21 172,-3.2 172,-1.9 1,-0.2 128,-0.1 -0.914 360.0 3.8-110.8 132.8 -26.4 -45.9 -50.4 3 18 A G S S+ 0 0 44 -2,-0.4 -1,-0.2 126,-0.4 170,-0.1 0.698 102.1 122.4 73.1 21.7 -29.1 -46.5 -47.9 4 19 A G - 0 0 25 -3,-0.3 2,-0.3 170,-0.1 138,-0.2 -0.214 56.1-118.4-102.6-167.7 -28.7 -43.1 -46.3 5 20 A T E -B 141 0B 93 136,-2.6 136,-2.8 -3,-0.1 2,-0.2 -0.904 35.7 -88.2-130.2 159.4 -30.8 -40.1 -45.6 6 21 A E E -B 140 0B 106 -2,-0.3 134,-0.3 134,-0.2 133,-0.1 -0.473 48.6-118.5 -65.9 134.3 -30.7 -36.4 -46.7 7 22 A C - 0 0 2 132,-2.7 132,-0.1 -2,-0.2 -1,-0.1 -0.385 28.5-100.6 -66.2 151.0 -28.6 -34.3 -44.4 8 23 A K > - 0 0 159 1,-0.1 3,-2.3 -2,-0.1 4,-0.2 -0.621 60.9 -93.5 -61.9 125.6 -30.1 -31.4 -42.5 9 24 A P T 3 S- 0 0 62 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.193 102.8 -1.1 -54.2 132.4 -28.9 -28.6 -44.8 10 25 A H T 3 S+ 0 0 46 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.566 92.1 122.9 68.5 12.3 -25.7 -27.0 -43.6 11 26 A S S < S+ 0 0 53 -3,-2.3 -1,-0.1 1,-0.3 3,-0.1 0.552 75.8 47.7 -79.1 -8.5 -25.5 -29.4 -40.6 12 27 A R S > S+ 0 0 37 -4,-0.2 3,-2.2 92,-0.1 -1,-0.3 -0.635 71.1 171.8-127.7 72.5 -22.1 -30.6 -41.8 13 28 A P T 3 + 0 0 34 0, 0.0 93,-1.6 0, 0.0 43,-0.3 0.510 69.4 64.6 -72.3 -7.3 -20.4 -27.2 -42.5 14 29 A Y T 3 S+ 0 0 21 91,-0.2 20,-2.4 93,-0.1 94,-0.2 0.494 75.5 118.2 -85.9 -9.2 -16.9 -28.8 -43.1 15 30 A M E < -I 33 0C 5 -3,-2.2 41,-0.6 18,-0.2 2,-0.4 -0.390 46.2-165.0 -67.0 132.9 -18.1 -30.7 -46.2 16 31 A A E -IJ 32 55C 0 16,-2.8 16,-1.1 25,-0.1 2,-0.5 -0.947 11.6-151.0-117.0 138.8 -16.4 -29.7 -49.5 17 32 A Y E -IJ 31 54C 30 37,-2.2 37,-2.7 -2,-0.4 2,-0.5 -0.941 19.2-152.3-104.8 127.4 -17.7 -30.6 -53.0 18 33 A L E -IJ 30 53C 0 12,-3.0 12,-1.5 -2,-0.5 2,-0.6 -0.897 12.2-165.0-107.7 124.0 -14.8 -30.9 -55.4 19 34 A E E -IJ 29 52C 77 33,-2.6 33,-2.3 -2,-0.5 2,-0.5 -0.946 20.6-167.9-101.4 123.3 -15.1 -30.3 -59.2 20 35 A I E -IJ 28 51C 1 8,-2.9 8,-2.1 -2,-0.6 2,-0.8 -0.939 21.9-155.4-121.9 125.2 -12.0 -31.8 -60.8 21 36 A V E -IJ 27 50C 59 29,-2.8 28,-2.7 -2,-0.5 29,-1.4 -0.891 28.4-142.1 -92.3 113.4 -10.7 -31.3 -64.3 22 36AA T > - 0 0 35 4,-1.9 3,-0.8 -2,-0.8 26,-0.2 -0.278 26.3-101.2 -71.2 163.1 -8.6 -34.4 -64.9 23 36BA S T 3 S+ 0 0 75 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.870 124.9 48.9 -51.5 -42.0 -5.4 -34.2 -66.9 24 36CA N T 3 S- 0 0 153 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.745 120.6-108.0 -70.3 -27.0 -7.2 -35.6 -70.0 25 37 A G S < S+ 0 0 42 -3,-0.8 -3,-0.2 1,-0.4 -2,-0.1 -0.181 76.5 123.3 128.2 -42.8 -10.1 -33.1 -69.7 26 38 A P - 0 0 85 0, 0.0 -4,-1.9 0, 0.0 -1,-0.4 -0.221 60.7-120.0 -58.7 143.6 -13.1 -35.1 -68.5 27 39 A S E -I 21 0C 109 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.498 30.3-177.9 -87.3 153.7 -14.6 -33.8 -65.2 28 40 A K E -I 20 0C 79 -8,-2.1 -8,-2.9 -2,-0.2 2,-0.3 -0.944 12.8-144.5-140.5 155.7 -14.9 -35.8 -62.0 29 41 A F E +I 19 0C 56 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.953 19.7 168.0-125.6 153.8 -16.3 -35.0 -58.6 30 42 A a E -I 18 0C 1 -12,-1.5 -12,-3.0 -2,-0.3 151,-0.2 -0.929 29.9-115.2-145.2 167.6 -15.3 -35.9 -55.1 31 43 A G E +I 17 0C 1 149,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.486 36.4 160.4 -93.1 174.3 -16.0 -35.0 -51.5 32 44 A G E -I 16 0C 0 -16,-1.1 -16,-2.8 -2,-0.2 2,-0.3 -0.944 26.9-122.0-171.7-175.8 -13.5 -33.5 -49.1 33 45 A F E -IK 15 41C 1 8,-2.3 8,-3.1 -2,-0.3 2,-0.4 -0.998 18.8-115.3-149.7 144.1 -13.5 -31.6 -45.9 34 46 A L E + K 0 40C 0 -20,-2.4 74,-2.2 -2,-0.3 6,-0.2 -0.621 34.3 163.8 -78.0 124.9 -12.2 -28.2 -44.6 35 47 A I E S+ 0 0 4 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.593 71.9 14.8-115.6 -21.5 -9.4 -28.5 -42.0 36 48 A R E > S- K 0 39C 116 3,-1.6 3,-1.4 70,-0.1 -1,-0.4 -0.920 91.4 -97.6-139.0 166.7 -8.0 -25.0 -42.0 37 49 A R T 3 S+ 0 0 105 -2,-0.3 62,-2.7 1,-0.3 60,-0.1 0.842 126.8 27.3 -55.9 -31.4 -9.5 -21.9 -43.6 38 50 A N T 3 S+ 0 0 31 60,-0.2 57,-2.3 58,-0.1 2,-0.4 0.103 111.2 78.4-120.5 24.5 -7.3 -22.5 -46.6 39 51 A F E < -KL 36 94C 6 -3,-1.4 -4,-2.5 55,-0.2 -3,-1.6 -0.987 50.0-172.2-135.6 130.7 -6.8 -26.2 -46.6 40 52 A V E -KL 34 93C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.940 14.5-146.0-113.5 140.2 -9.1 -29.1 -47.7 41 53 A L E +KL 33 92C 0 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.2 -0.867 35.7 138.4-104.2 140.4 -8.4 -32.7 -47.1 42 54 A T E - L 0 91C 0 49,-2.3 49,-2.3 -2,-0.4 2,-0.3 -0.842 53.5 -61.6-159.9-172.5 -9.5 -35.3 -49.7 43 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.699 35.4-133.7 -88.7 143.5 -8.4 -38.5 -51.5 44 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.764 103.1 67.0 -64.8 -28.9 -5.3 -38.4 -53.7 45 57 A H G 3 S+ 0 0 54 1,-0.3 -1,-0.3 150,-0.0 44,-0.0 0.592 89.9 68.6 -72.4 -3.5 -7.1 -40.3 -56.5 46 58 A a G < S+ 0 0 0 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.2 0.288 75.2 122.3 -91.5 8.1 -9.2 -37.1 -56.8 47 59 A A < + 0 0 24 -3,-1.8 2,-0.3 -27,-0.1 -24,-0.2 -0.287 32.9 154.2 -69.0 155.8 -6.2 -35.1 -58.1 48 60 A G - 0 0 14 -26,-0.2 -26,-0.3 1,-0.1 3,-0.1 -0.886 59.4 -76.4-159.7-168.9 -6.5 -33.4 -61.5 49 61 A R S S- 0 0 178 -28,-2.7 2,-0.3 1,-0.3 -27,-0.2 0.868 114.1 -1.0 -70.4 -35.8 -5.2 -30.6 -63.7 50 63 A S E -J 21 0C 60 -29,-1.4 -29,-2.8 -3,-0.0 2,-0.4 -0.992 66.0-161.6-153.4 152.9 -7.3 -28.2 -61.7 51 64 A I E -J 20 0C 5 21,-0.3 21,-2.3 -2,-0.3 2,-0.4 -0.998 4.1-165.3-140.3 139.4 -9.8 -28.3 -58.9 52 65 A T E -JM 19 71C 41 -33,-2.3 -33,-2.6 -2,-0.4 2,-0.4 -0.978 14.5-150.9-120.2 137.2 -12.5 -26.0 -57.5 53 66 A V E -JM 18 70C 0 17,-3.1 17,-2.7 -2,-0.4 2,-0.5 -0.901 2.4-157.1-110.1 137.9 -14.0 -26.5 -54.1 54 67 A T E -JM 17 69C 1 -37,-2.7 -37,-2.2 -2,-0.4 3,-0.3 -0.965 14.7-176.1-113.3 118.2 -17.5 -25.5 -53.1 55 68 A L E +JM 16 68C 0 13,-2.9 13,-2.3 -2,-0.5 -39,-0.1 -0.723 63.0 34.1-105.8 155.5 -18.1 -25.0 -49.3 56 69 A G S S+ 0 0 3 -41,-0.6 10,-0.2 48,-0.4 2,-0.2 0.630 87.0 140.9 78.8 14.7 -21.4 -24.2 -47.7 57 70 A A + 0 0 7 -42,-0.4 -47,-0.3 -3,-0.3 -1,-0.2 -0.541 26.7 160.1 -94.9 153.7 -23.5 -26.3 -50.1 58 71 A H S S+ 0 0 10 1,-0.4 81,-1.1 4,-0.3 2,-0.8 0.458 82.4 33.9-124.2 -67.1 -26.4 -28.6 -49.7 59 72 A N B > S-O 138 0D 35 3,-0.3 3,-1.6 79,-0.2 -1,-0.4 -0.850 76.3-159.1 -87.3 111.5 -28.1 -29.0 -53.1 60 73 A I T 3 S+ 0 0 24 77,-3.0 -1,-0.1 -2,-0.8 78,-0.1 0.578 85.7 58.3 -77.2 -7.2 -25.0 -28.8 -55.4 61 74 A T T 3 S+ 0 0 105 76,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.437 104.1 57.8 -95.2 0.2 -27.0 -27.9 -58.5 62 75 A E S < S- 0 0 123 -3,-1.6 -4,-0.3 75,-0.2 -3,-0.3 -0.931 79.9-134.3-141.1 111.6 -28.4 -24.8 -56.8 63 77 A E - 0 0 137 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.0 -0.246 21.0-172.0 -65.1 147.8 -26.4 -21.9 -55.4 64 78 A E > - 0 0 59 -8,-0.0 3,-1.6 -6,-0.0 -1,-0.0 -0.881 39.8-106.9-129.8 166.7 -27.2 -20.5 -51.9 65 79 A D T 3 S+ 0 0 178 -2,-0.3 -2,-0.0 1,-0.3 -9,-0.0 0.576 116.4 67.3 -74.5 -6.7 -25.8 -17.4 -50.2 66 79AA T T 3 S+ 0 0 43 -10,-0.2 -1,-0.3 38,-0.0 -9,-0.1 0.589 79.5 115.0 -80.0 -14.7 -23.9 -19.7 -47.8 67 80 A W < - 0 0 34 -3,-1.6 2,-0.4 -11,-0.1 -11,-0.2 -0.291 41.2-178.1 -63.7 138.5 -21.8 -20.9 -50.8 68 81 A Q E -M 55 0C 33 -13,-2.3 -13,-2.9 2,-0.0 2,-0.6 -0.931 6.9-169.9-132.3 113.0 -18.0 -20.2 -50.9 69 82 A K E +M 54 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.909 12.3 179.1-106.8 119.1 -16.5 -21.5 -54.1 70 83 A L E -M 53 0C 20 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.2 -0.963 25.5-126.2-127.7 138.2 -12.7 -21.3 -54.0 71 84 A E E -M 52 0C 110 -2,-0.4 25,-3.1 -19,-0.2 2,-0.5 -0.543 26.5-121.6 -75.8 147.2 -10.0 -22.3 -56.5 72 85 A V E -N 95 0C 21 -21,-2.3 -21,-0.3 23,-0.2 23,-0.3 -0.797 22.6-172.1 -88.0 126.5 -7.3 -24.7 -55.4 73 86 A I E S+ 0 0 101 21,-2.5 2,-0.3 -2,-0.5 22,-0.2 0.722 70.3 14.5 -91.3 -24.7 -3.8 -23.1 -55.8 74 87 A K E -N 94 0C 120 20,-1.4 20,-2.7 2,-0.0 2,-0.5 -0.975 60.1-150.4-155.0 138.6 -1.8 -26.3 -55.0 75 88 A Q E -N 93 0C 60 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.913 7.5-167.0-106.3 132.9 -2.4 -30.0 -54.7 76 89 A F E -N 92 0C 30 16,-3.0 16,-2.1 -2,-0.5 2,-0.2 -0.805 9.2-172.2-119.9 87.1 -0.3 -32.0 -52.3 77 90 A R E -N 91 0C 135 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.546 42.1 -92.2 -72.2 142.9 -0.7 -35.7 -53.0 78 91 A H > - 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