==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-08 3E3T . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.BECK,T.GRUENE,G.M.SHELDRICK . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 62.9 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 . 83 34.6 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 . 6 2.5 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 . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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 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 . 6 2 2 6 1 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 1 A V > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.4 11.3 -4.5 -1.5 2 2 A V B 3 +A 182 0A 10 180,-2.6 180,-2.0 1,-0.2 134,-0.1 -0.809 360.0 11.3 -94.1 134.8 14.8 -5.3 -2.6 3 3 A G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.727 98.6 140.2 72.3 24.3 16.1 -8.8 -1.9 4 4 A G < - 0 0 22 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.203 46.0-135.2 -86.5 179.8 12.7 -10.0 -0.9 5 5 A T E -B 147 0B 87 142,-2.2 142,-2.4 -3,-0.1 2,-0.3 -0.911 38.4 -88.0-128.8 157.6 10.8 -13.3 -1.4 6 6 A E E -B 146 0B 114 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.468 45.6-129.6 -67.9 127.0 7.2 -13.7 -2.5 7 7 A A - 0 0 1 138,-2.8 2,-0.1 -2,-0.3 138,-0.1 -0.452 22.8-104.8 -72.6 148.7 4.9 -13.7 0.5 8 8 A Q > - 0 0 115 -2,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.455 37.0-109.9 -69.2 148.6 2.4 -16.4 1.0 9 9 A R T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.742 113.4 34.5 -53.8 -30.1 -1.1 -15.1 0.2 10 10 A N T 3 S+ 0 0 88 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.290 89.8 96.0-114.9 18.8 -2.3 -15.2 3.8 11 11 A S S < S+ 0 0 55 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.880 94.7 25.3 -76.1 -36.1 0.8 -14.2 5.7 12 12 A W > + 0 0 26 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.606 66.0 165.6-129.0 67.2 0.2 -10.5 6.2 13 13 A P T 3 S+ 0 0 33 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.614 72.8 62.0 -71.1 -7.2 -3.5 -9.9 6.0 14 14 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.2 98,-0.2 0.551 79.1 108.7 -87.8 -8.5 -3.3 -6.4 7.4 15 15 A Q E < -I 33 0C 7 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.509 50.1-173.8 -68.9 133.1 -1.2 -5.2 4.5 16 16 A I E -I 32 0C 1 16,-2.2 16,-1.0 -2,-0.2 2,-0.5 -0.898 23.2-129.7-121.9 159.3 -3.1 -2.9 2.1 17 17 A S E -IJ 31 56C 0 39,-2.0 39,-2.4 -2,-0.3 2,-0.5 -0.957 17.9-151.7-105.2 123.8 -2.2 -1.3 -1.3 18 18 A L E -IJ 30 55C 0 12,-3.0 11,-2.8 -2,-0.5 12,-1.8 -0.889 23.7-178.5 -96.4 123.9 -2.8 2.5 -1.5 19 19 A Q E -IJ 28 54C 10 35,-2.7 35,-2.5 -2,-0.5 2,-0.3 -0.888 18.0-147.8-128.3 149.5 -3.7 3.5 -5.1 20 20 A Y E -IJ 27 53C 65 7,-2.2 7,-2.5 -2,-0.3 2,-0.3 -0.888 29.6-103.6-118.1 155.1 -4.4 6.7 -6.9 21 21 A R E +I 26 0C 82 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.595 36.2 180.0 -77.3 131.5 -6.6 7.3 -9.9 22 22 A S E > -I 25 0C 60 3,-3.0 3,-1.4 -2,-0.3 2,-0.2 -0.883 58.6 -63.4-139.3 101.0 -4.7 7.7 -13.1 23 23 A G T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.388 119.3 -14.8 45.2-113.9 -6.9 8.3 -16.1 24 24 A S T 3 S+ 0 0 130 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.179 132.4 65.3 -92.8 14.1 -9.1 5.2 -16.6 25 25 A S E < S-I 22 0C 68 -3,-1.4 -3,-3.0 2,-0.0 2,-0.4 -0.737 72.6-125.5-139.4 167.1 -6.8 3.3 -14.3 26 26 A W E -I 21 0C 81 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.959 22.7-159.7-121.9 143.5 -5.5 2.9 -10.7 27 27 A A E -I 20 0C 28 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.2 -0.988 20.1-120.4-126.9 133.4 -1.9 2.8 -9.8 28 28 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.492 40.0 158.0 -61.1 137.1 -0.2 1.5 -6.7 29 29 A T E - 0 0 21 -11,-2.8 2,-0.3 1,-0.4 157,-0.3 0.583 56.1 -1.4-129.3 -30.2 1.7 4.2 -4.9 30 30 A a E -I 18 0C 3 -12,-1.8 -12,-3.0 157,-0.1 -1,-0.4 -0.964 59.3-115.3-156.4 164.6 2.2 3.1 -1.2 31 31 A G E +I 17 0C 1 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.460 29.9 174.6 -92.6 175.2 1.5 0.5 1.4 32 32 A G E -I 16 0C 0 -16,-1.0 -16,-2.2 -2,-0.2 2,-0.4 -0.929 27.6-114.1-165.4 178.6 -0.5 0.7 4.6 33 33 A T E -IK 15 41C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.5 -0.995 22.4-131.5-124.9 122.3 -1.8 -1.3 7.5 34 34 A L E + K 0 40C 1 -20,-2.6 78,-3.6 -2,-0.4 6,-0.2 -0.645 34.5 165.7 -67.9 119.4 -5.5 -1.9 8.2 35 35 A I E + 0 0 1 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.582 66.2 15.2-117.4 -15.1 -6.0 -1.0 11.8 36 36 A R E > S- K 0 39C 87 3,-1.8 3,-1.5 74,-0.1 -1,-0.3 -0.917 89.0-100.7-139.8 166.6 -9.8 -0.8 12.0 37 37 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.780 127.5 27.3 -63.6 -19.1 -12.4 -2.1 9.6 38 38 A N T 3 S+ 0 0 52 64,-0.2 61,-2.3 62,-0.1 2,-0.4 0.092 113.0 78.0-123.6 22.4 -12.7 1.4 8.3 39 39 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.8 59,-0.2 -3,-1.8 -0.988 51.5-169.5-139.2 133.8 -9.3 2.8 9.1 40 40 A V E -KL 34 97C 0 57,-2.5 57,-2.8 -2,-0.4 2,-0.5 -0.949 13.4-145.6-115.6 137.0 -5.9 2.5 7.5 41 41 A M E +KL 33 96C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.890 36.7 144.0 -98.7 126.6 -2.5 3.6 8.9 42 42 A T E - L 0 95C 0 53,-2.6 53,-2.1 -2,-0.5 2,-0.3 -0.762 51.3 -70.8-143.2-172.6 0.0 4.8 6.3 43 43 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.4 -0.757 31.7-133.5 -87.1 140.7 2.8 7.4 5.8 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 0.874 106.2 60.5 -55.9 -41.9 1.9 11.1 5.6 45 45 A H G > S+ 0 0 48 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.782 93.5 66.3 -64.5 -20.7 4.2 11.6 2.6 46 46 A a G < S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.734 107.2 39.7 -68.3 -21.2 2.1 9.1 0.7 47 47 A V G < S+ 0 0 13 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.093 79.7 105.6-119.9 21.1 -0.8 11.4 0.8 48 48 A D < + 0 0 61 -3,-1.1 -1,-0.1 -4,-0.2 -2,-0.1 0.902 66.0 80.9 -62.4 -40.6 0.9 14.7 0.1 49 49 A R S S- 0 0 102 -4,-0.3 2,-1.8 -3,-0.2 0, 0.0 -0.460 89.0-122.8 -73.2 143.5 -0.4 14.8 -3.4 50 50 A E + 0 0 197 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.376 64.5 138.2 -80.1 57.8 -4.0 16.0 -3.9 51 51 A L - 0 0 66 -2,-1.8 2,-0.6 -4,-0.1 -29,-0.1 -0.442 63.6-100.4-103.0 169.4 -5.1 12.7 -5.7 52 52 A T - 0 0 90 -31,-0.3 -31,-2.1 -2,-0.1 2,-0.4 -0.857 49.2-166.4 -86.6 119.1 -8.1 10.4 -5.6 53 53 A F E -J 20 0C 12 -2,-0.6 21,-2.0 21,-0.2 2,-0.3 -0.835 15.7-179.0-112.5 148.8 -7.0 7.5 -3.4 54 54 A R E -JM 19 73C 46 -35,-2.5 -35,-2.7 -2,-0.4 2,-0.4 -0.928 19.0-134.2-133.3 162.6 -8.4 4.1 -2.8 55 55 A V E -JM 18 72C 0 17,-3.0 17,-2.8 -2,-0.3 2,-0.5 -0.943 9.6-158.4-114.1 136.8 -7.4 1.1 -0.6 56 56 A V E -JM 17 71C 0 -39,-2.4 -39,-2.0 -2,-0.4 3,-0.4 -0.972 11.0-173.5-113.3 119.3 -7.2 -2.5 -1.7 57 57 A V E + M 0 70C 1 13,-2.4 13,-2.2 -2,-0.5 52,-0.1 -0.760 69.4 31.3-100.0 159.1 -7.4 -5.1 1.1 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.753 86.4 151.2 66.4 22.5 -6.9 -8.8 0.4 59 59 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.4 3,-0.1 -0.630 16.0 150.0 -88.3 147.1 -4.5 -8.0 -2.4 60 60 A H S S+ 0 0 6 1,-0.3 85,-1.7 -2,-0.3 2,-0.6 0.447 70.3 36.7-134.0 -56.1 -1.6 -10.3 -3.5 61 61 A N B > -O 144 0D 29 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.930 64.0-158.5-110.3 115.4 -1.0 -9.8 -7.2 62 62 A L T 3 S+ 0 0 46 81,-2.8 -1,-0.1 -2,-0.6 82,-0.1 0.709 91.8 40.3 -68.7 -23.0 -1.4 -6.2 -8.4 63 63 A N T 3 S+ 0 0 82 80,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.340 110.7 58.5-111.8 8.1 -2.0 -7.2 -12.0 64 64 A Q S < S- 0 0 47 -3,-1.1 2,-0.5 79,-0.2 -3,-0.3 -0.982 83.7-110.5-134.7 144.0 -4.2 -10.3 -11.7 65 65 A N - 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.642 30.2-179.3 -72.6 123.8 -7.6 -11.0 -10.1 66 66 A N - 0 0 33 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.519 39.5-123.9 -96.5 -14.2 -7.0 -13.1 -7.0 67 67 A G S S+ 0 0 59 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.600 96.1 78.4 76.2 10.8 -10.6 -13.4 -6.0 68 68 A T + 0 0 25 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.448 62.4 116.8-126.9 -4.3 -10.0 -12.0 -2.5 69 69 A E - 0 0 24 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.395 40.1-167.1 -75.0 141.0 -9.6 -8.2 -3.1 70 70 A Q E -M 57 0C 45 -13,-2.2 -13,-2.4 -2,-0.1 2,-0.5 -1.000 11.1-154.3-122.6 133.2 -12.0 -5.6 -1.6 71 71 A Y E +M 56 0C 109 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.931 17.9 175.5-111.7 122.6 -11.6 -2.1 -3.1 72 72 A V E -M 55 0C 5 -17,-2.8 -17,-3.0 -2,-0.5 -2,-0.0 -0.985 26.2-122.5-138.2 132.7 -12.7 0.8 -1.0 73 73 A G E -M 54 0C 32 -2,-0.4 27,-2.3 -19,-0.2 2,-0.6 -0.319 26.5-117.3 -66.9 148.5 -12.5 4.6 -1.4 74 74 A V E +N 99 0C 31 -21,-2.0 25,-0.2 25,-0.2 -21,-0.2 -0.823 32.4 177.5 -84.7 124.1 -10.7 6.9 1.0 75 75 A Q E + 0 0 110 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.783 63.7 16.1 -98.2 -34.7 -13.3 9.2 2.5 76 76 A K E -N 98 0C 77 22,-1.6 22,-2.6 2,-0.0 2,-0.5 -0.997 59.0-156.6-144.6 141.0 -11.1 11.2 5.0 77 77 A I E -N 97 0C 65 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.994 6.0-173.1-120.2 123.9 -7.4 11.8 5.5 78 78 A V E -N 96 0C 32 18,-3.0 18,-2.7 -2,-0.5 2,-0.3 -0.944 9.3-168.3-116.8 103.8 -5.9 12.8 8.8 79 79 A V E -N 95 0C 48 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.695 39.5 -91.9 -85.9 143.3 -2.2 13.7 8.6 80 80 A H > - 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