==== 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 22-APR-10 3MNX . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.PETROVA,S.GINELL,Y.KIM,G.JOACHIMIAK,A.JOACHIMIAK . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 62.1 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 . 80 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 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 2 2 5 2 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 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 V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.2 -11.3 -4.4 1.5 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.9 1,-0.2 134,-0.1 -0.807 360.0 11.2 -93.0 135.0 -14.8 -5.1 2.6 3 18 A G T 3 S+ 0 0 39 132,-0.6 146,-0.2 -2,-0.4 -1,-0.2 0.769 97.6 138.5 71.9 26.6 -16.2 -8.6 2.0 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.232 45.8-133.8 -91.0-177.3 -12.8 -10.0 0.9 5 20 A T E -B 147 0B 87 142,-2.4 142,-2.5 -2,-0.1 2,-0.1 -0.925 38.6 -85.9-131.5 157.3 -11.0 -13.2 1.5 6 21 A E E -B 146 0B 112 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.432 45.4-128.1 -65.2 136.1 -7.4 -13.6 2.5 7 22 A A - 0 0 3 138,-2.7 2,-0.1 -2,-0.1 138,-0.1 -0.597 22.1-107.2 -78.0 149.1 -5.0 -13.7 -0.4 8 23 A Q > - 0 0 131 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.490 38.0-113.1 -66.6 148.3 -2.6 -16.5 -0.9 9 24 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.692 112.0 39.0 -70.3 -15.3 0.9 -15.1 -0.2 10 25 A N T 3 S+ 0 0 71 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.273 90.3 92.4-112.5 17.1 2.2 -15.4 -3.8 11 26 A S S < S+ 0 0 50 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.863 95.0 27.1 -76.4 -35.3 -0.9 -14.3 -5.7 12 27 A W > + 0 0 27 -4,-0.4 3,-1.9 1,-0.1 -1,-0.2 -0.578 65.4 164.1-131.5 67.1 -0.3 -10.6 -6.0 13 28 A P T 3 S+ 0 0 32 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.599 72.1 62.2 -73.2 -6.4 3.5 -10.0 -6.0 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.5 97,-0.1 98,-0.2 0.560 78.7 109.7 -90.1 -5.7 3.2 -6.5 -7.4 15 30 A Q E < -I 33 0C 7 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.481 48.5-172.6 -70.1 135.1 1.2 -5.2 -4.4 16 31 A I E -IJ 32 57C 1 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.867 21.7-133.1-123.0 158.3 3.0 -2.8 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.5 -0.968 16.3-152.3-107.1 124.6 2.2 -1.3 1.3 18 33 A L E -IJ 30 55C 0 12,-2.8 11,-3.0 -2,-0.5 12,-1.7 -0.867 23.7-177.4 -96.4 124.1 2.9 2.5 1.6 19 34 A Q E -IJ 28 54C 10 35,-2.8 35,-2.2 -2,-0.5 2,-0.3 -0.870 16.7-149.5-126.8 152.7 3.7 3.4 5.2 20 35 A Y E -IJ 27 53C 56 7,-2.3 7,-2.3 -2,-0.3 2,-0.4 -0.924 30.9-100.7-123.1 155.8 4.5 6.5 7.1 21 36 A R E -I 26 0C 126 31,-1.9 2,-0.5 -2,-0.3 31,-0.3 -0.592 37.0-178.2 -79.9 129.9 6.6 7.1 10.2 22 36AA S E > -I 25 0C 57 3,-2.9 3,-2.1 -2,-0.4 2,-0.2 -0.940 58.4 -61.9-134.3 97.0 4.4 7.4 13.2 23 36BA G T 3 S- 0 0 67 -2,-0.5 -2,-0.0 1,-0.3 -1,-0.0 -0.367 119.6 -13.0 59.6-118.2 6.5 8.1 16.3 24 36CA S T 3 S+ 0 0 117 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.248 134.1 48.6 -97.3 12.4 8.9 5.2 16.8 25 37 A S E < S-I 22 0C 73 -3,-2.1 -3,-2.9 -5,-0.0 2,-0.4 -0.723 78.3-109.9-139.0-172.9 7.1 3.0 14.4 26 38 A W E -I 21 0C 67 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.942 23.4-159.6-126.1 145.9 5.6 2.8 10.9 27 39 A A E -I 20 0C 28 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.2 -0.995 22.2-116.4-130.5 134.8 1.9 2.6 9.9 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.452 39.4 160.2 -61.8 133.2 0.3 1.4 6.7 29 41 A T E - 0 0 23 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.653 56.4 -1.8-120.9 -38.7 -1.6 4.2 4.9 30 42 A C E -I 18 0C 6 -12,-1.7 -12,-2.8 157,-0.1 -1,-0.4 -0.916 59.1-117.9-148.6 167.1 -2.1 3.1 1.3 31 43 A G E +I 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.448 29.8 169.2 -97.9-178.1 -1.5 0.5 -1.3 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.2 -2,-0.2 2,-0.4 -0.965 28.8-110.3-175.1 177.7 0.4 0.7 -4.6 33 45 A T E -IK 15 41C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.994 22.3-128.0-129.5 132.2 1.9 -1.3 -7.4 34 46 A L E + K 0 40C 0 -20,-2.5 78,-3.4 -2,-0.4 6,-0.2 -0.664 33.9 166.5 -74.1 121.9 5.5 -2.0 -8.2 35 47 A I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.618 67.6 11.7-116.3 -19.4 6.0 -1.0 -11.9 36 48 A R E > S- K 0 39C 88 3,-1.7 3,-1.2 74,-0.1 -1,-0.4 -0.919 89.7 -97.7-142.2 167.0 9.8 -1.0 -12.1 37 49 A Q T 3 S+ 0 0 84 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.792 127.7 27.9 -61.4 -19.3 12.4 -2.2 -9.6 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.155 112.0 75.4-125.9 21.8 12.7 1.4 -8.4 39 51 A W E < -KL 36 98C 5 -3,-1.2 -4,-2.5 59,-0.2 -3,-1.7 -0.997 51.1-170.4-137.0 137.7 9.2 2.8 -9.2 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.9 -2,-0.4 2,-0.5 -0.945 13.6-145.0-120.4 139.6 5.8 2.5 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.921 34.3 146.6-101.4 132.2 2.5 3.7 -8.8 42 54 A T E - L 0 95C 0 53,-2.5 53,-2.3 -2,-0.5 2,-0.3 -0.738 50.6 -71.2-145.8-174.3 -0.1 4.9 -6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-0.8 51,-0.3 4,-0.5 -0.701 33.7-131.9 -85.4 145.0 -2.9 7.5 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.886 106.1 61.0 -60.4 -38.1 -2.0 11.2 -5.7 45 57 A H G > S+ 0 0 55 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.807 94.0 65.5 -67.9 -21.2 -4.3 11.7 -2.8 46 58 A C G < S+ 0 0 4 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.761 106.3 41.1 -67.4 -26.8 -2.2 9.1 -0.8 47 59 A V G < S+ 0 0 16 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.161 81.1 106.1-112.2 22.3 0.8 11.4 -0.8 48 60 A D < + 0 0 63 -3,-1.1 2,-0.2 -4,-0.2 -1,-0.1 0.862 66.5 79.3 -64.4 -37.9 -1.0 14.7 -0.2 49 61 A R S S- 0 0 121 -4,-0.3 2,-1.7 -3,-0.2 0, 0.0 -0.499 88.8-121.2 -78.6 148.1 0.3 14.8 3.4 50 62 A E + 0 0 194 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.341 64.0 138.0 -84.1 57.3 3.9 15.9 4.2 51 63 A L - 0 0 59 -2,-1.7 2,-0.7 -4,-0.1 -31,-0.0 -0.472 63.1-103.5-101.8 168.3 4.9 12.6 5.8 52 64 A T - 0 0 88 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.869 48.4-163.7 -90.0 119.3 8.0 10.4 5.8 53 65 A F E +J 20 0C 16 -2,-0.7 21,-1.4 -33,-0.2 2,-0.3 -0.787 17.8 179.7-108.9 148.0 7.1 7.5 3.5 54 65AA R E -JM 19 73C 49 -35,-2.2 -35,-2.8 -2,-0.3 2,-0.4 -0.955 20.0-135.1-134.4 158.0 8.5 4.0 3.0 55 66 A V E -JM 18 72C 0 17,-2.9 17,-2.6 -2,-0.3 2,-0.5 -0.935 10.3-158.1-109.9 141.7 7.4 1.2 0.7 56 67 A V E -JM 17 71C 0 -39,-2.5 -39,-2.2 -2,-0.4 3,-0.3 -0.977 10.2-174.0-118.5 121.2 7.2 -2.4 1.7 57 68 A V E +JM 16 70C 1 13,-2.4 13,-2.1 -2,-0.5 -41,-0.1 -0.771 68.7 32.8-106.5 155.9 7.3 -5.1 -0.9 58 69 A G S S+ 0 0 5 50,-0.5 2,-0.3 -43,-0.5 10,-0.3 0.758 85.0 150.7 72.5 22.6 6.8 -8.8 -0.3 59 70 A E + 0 0 21 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.644 16.6 152.5 -90.5 145.2 4.4 -8.0 2.6 60 71 A H S S+ 0 0 8 1,-0.3 85,-1.7 -2,-0.3 2,-0.6 0.496 70.7 34.3-130.7 -54.3 1.5 -10.3 3.6 61 72 A N B > -O 144 0D 11 3,-0.3 3,-1.2 83,-0.2 -1,-0.3 -0.933 61.3-159.8-111.7 117.1 0.8 -9.7 7.3 62 73 A L T 3 S+ 0 0 40 81,-2.7 -1,-0.1 -2,-0.6 82,-0.1 0.667 92.7 45.6 -67.2 -16.6 1.3 -6.2 8.5 63 74 A N T 3 S+ 0 0 109 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.195 110.5 50.4-115.9 12.8 1.5 -7.4 12.1 64 75 A Q S < S- 0 0 120 -3,-1.2 2,-0.5 79,-0.1 -3,-0.3 -0.997 86.9 -99.6-149.0 151.0 3.9 -10.4 11.8 65 76 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.570 32.1-177.3 -70.9 119.3 7.3 -11.2 10.2 66 77 A N - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.631 35.2-129.1 -90.3 -18.8 6.7 -12.9 6.9 67 78 A G S S+ 0 0 63 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.588 94.3 75.8 78.2 12.5 10.3 -13.5 6.1 68 79 A T + 0 0 27 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.365 62.6 119.7-132.2 -3.6 9.8 -12.0 2.7 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.430 37.7-167.8 -75.8 142.2 9.6 -8.2 3.2 70 81 A Q E -M 57 0C 43 -13,-2.1 -13,-2.4 -2,-0.1 2,-0.5 -0.996 11.6-154.8-121.3 135.0 12.0 -5.6 1.7 71 82 A Y E +M 56 0C 112 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.928 17.7 172.8-113.4 127.5 11.7 -2.1 3.1 72 83 A V E -M 55 0C 11 -17,-2.6 -17,-2.9 -2,-0.5 2,-0.1 -0.981 27.3-120.9-137.0 146.7 12.8 0.9 1.0 73 84 A G E -M 54 0C 30 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.465 27.1-116.4 -77.8 157.0 12.6 4.6 1.3 74 85 A V E +N 99 0C 32 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.860 30.4 179.7 -95.8 121.5 10.8 6.9 -1.1 75 86 A Q E + 0 0 110 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.772 65.1 11.6 -91.3 -36.2 13.3 9.2 -2.8 76 87 A K E -N 98 0C 87 22,-1.4 22,-2.7 2,-0.0 2,-0.5 -0.990 59.1-154.1-147.7 141.4 11.1 11.3 -5.1 77 88 A I E -N 97 0C 71 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.983 8.4-171.8-117.7 123.1 7.3 11.7 -5.5 78 89 A V E -N 96 0C 30 18,-3.1 18,-2.7 -2,-0.5 2,-0.3 -0.930 7.9-170.0-116.6 103.3 5.9 12.8 -8.9 79 90 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.664 40.0 -90.3 -87.2 147.5 2.2 13.6 -8.7 80 91 A H > - 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