==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-76 1EST . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR L.SAWYER,D.M.SHOTTON,H.C.WATSON . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 67.5 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 . 84 35.0 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 . 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.5 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 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 . 6 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 0.000 360.0 360.0 360.0 108.5 -11.1 33.8 35.9 2 17 A V B 3 +A 182 0A 8 180,-2.5 180,-1.9 1,-0.2 134,-0.1 -0.776 360.0 8.1 -84.5 125.5 -14.7 34.4 34.8 3 18 A G T 3 S+ 0 0 43 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.798 100.7 136.9 80.5 24.5 -16.0 37.9 35.4 4 19 A G < - 0 0 25 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.371 45.8-132.5-100.0 170.1 -12.7 39.3 36.5 5 20 A T E -B 147 0B 83 142,-2.6 142,-2.6 -2,-0.1 2,-0.1 -0.899 35.7 -86.0-114.8 165.7 -10.6 42.4 35.9 6 21 A E E -B 146 0B 117 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.432 44.9-137.8 -79.6 125.3 -6.9 42.9 35.0 7 22 A A - 0 0 6 138,-2.6 2,-0.4 -2,-0.1 -1,-0.1 -0.325 18.7-104.2 -76.0 161.6 -4.6 43.0 38.0 8 23 A Q >> - 0 0 135 -2,-0.1 3,-1.8 1,-0.1 4,-0.7 -0.782 31.7-116.3 -93.7 129.2 -1.7 45.3 38.6 9 24 A R T 34 S+ 0 0 114 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.849 114.3 36.3 -25.9 -47.2 1.8 43.9 38.0 10 25 A N T 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 99,-0.0 0.291 95.3 90.4 -95.2 -8.1 2.8 44.3 41.6 11 26 A S T <4 S+ 0 0 42 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.961 98.4 20.4 -54.7 -58.2 -0.5 43.5 43.2 12 27 A W >< + 0 0 25 -4,-0.7 3,-1.5 -3,-0.2 -1,-0.2 -0.621 69.2 166.5-120.7 81.0 -0.2 39.7 43.6 13 28 A P T 3 + 0 0 32 0, 0.0 97,-2.2 0, 0.0 45,-0.2 0.352 68.6 62.2 -95.3 15.7 3.5 38.8 43.6 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.3 97,-0.1 2,-0.3 0.326 76.6 113.3-108.5 -13.4 3.3 35.3 44.9 15 30 A Q E < -I 33 0C 7 -3,-1.5 43,-0.5 18,-0.2 44,-0.4 -0.580 48.5-171.3 -63.8 119.9 1.2 34.1 42.0 16 31 A I E -IJ 32 57C 0 16,-1.8 16,-0.9 -2,-0.3 2,-0.6 -0.912 22.1-128.7-115.2 158.2 3.1 31.7 39.7 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-1.6 -2,-0.3 2,-0.7 -0.944 15.4-154.0-107.5 111.1 2.4 30.1 36.3 18 33 A L E -IJ 30 55C 0 12,-3.3 11,-2.8 -2,-0.6 12,-1.8 -0.891 24.0-178.6 -87.1 102.6 2.7 26.3 36.2 19 34 A Q E -IJ 28 54C 10 35,-2.7 35,-2.4 -2,-0.7 2,-0.3 -0.916 17.2-152.0-107.9 142.4 3.6 25.5 32.6 20 35 A Y E -IJ 27 53C 71 7,-2.4 7,-2.9 -2,-0.4 2,-1.0 -0.873 31.0-106.6-113.2 142.2 4.2 22.1 30.9 21 36 A R E -I 26 0C 132 31,-1.9 2,-1.3 -2,-0.3 31,-0.3 -0.731 31.4-167.7 -73.6 92.0 6.5 21.6 27.9 22 36AA S E > -I 25 0C 60 3,-1.9 3,-1.8 -2,-1.0 2,-0.8 -0.855 54.9 -82.7 -81.6 69.3 4.0 21.1 25.1 23 36BA G T 3 S+ 0 0 64 -2,-1.3 -1,-0.0 1,-0.3 -2,-0.0 -0.301 119.0 14.6 77.3 -82.9 6.5 19.8 22.6 24 36CA S T 3 S+ 0 0 125 -2,-0.8 -1,-0.3 -3,-0.1 2,-0.2 0.665 132.2 17.5 -91.7 -40.1 8.1 22.9 21.1 25 37 A S E < S-I 22 0C 71 -3,-1.8 -3,-1.9 -5,-0.1 2,-0.4 -0.696 82.8 -90.0-126.0-175.0 7.0 25.4 23.6 26 38 A W E -I 21 0C 62 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.868 32.7-158.1-108.7 135.8 5.6 25.9 27.1 27 39 A A E -I 20 0C 27 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.1 -0.981 20.2-119.7-120.1 134.7 1.9 25.9 28.0 28 40 A H E +I 19 0C 21 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.359 40.9 157.2 -70.1 115.2 0.1 27.3 31.0 29 41 A T E - 0 0 42 -11,-2.8 2,-0.3 1,-0.4 159,-0.3 0.628 58.1 -2.9-106.4 -36.8 -1.8 24.6 32.8 30 42 A a E -I 18 0C 6 -12,-1.8 -12,-3.3 157,-0.1 -1,-0.4 -0.967 58.7-112.8-148.2 173.7 -2.2 25.9 36.4 31 43 A G E +I 17 0C 0 157,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.344 32.4 176.1 -99.5-179.3 -1.6 28.6 39.0 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-1.8 10,-0.1 2,-0.4 -0.974 26.9-114.8-175.2 173.1 0.5 28.4 42.2 33 45 A T E -IK 15 41C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.984 19.4-137.8-134.2 111.0 1.9 30.1 45.2 34 46 A L E + K 0 40C 0 -20,-2.3 78,-2.4 -2,-0.4 6,-0.2 -0.643 32.3 164.7 -63.9 105.3 5.5 30.8 45.9 35 47 A I E + 0 0 2 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.535 67.1 17.3 -97.6 -30.9 5.9 30.0 49.6 36 48 A R E > S- K 0 39C 97 3,-2.0 3,-1.0 74,-0.1 -1,-0.4 -0.928 88.1-102.9-129.9 166.3 9.7 29.7 49.8 37 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.812 128.2 23.2 -64.0 -14.6 12.4 31.0 47.4 38 50 A N T 3 S+ 0 0 34 64,-0.2 61,-2.8 62,-0.1 2,-0.4 0.168 113.8 82.0-131.0 -1.6 12.6 27.4 46.2 39 51 A W E < -KL 36 98C 6 -3,-1.0 -4,-2.4 59,-0.2 -3,-2.0 -0.991 52.1-170.3-117.0 136.2 9.2 26.0 47.3 40 52 A V E -KL 34 97C 0 57,-1.8 57,-2.8 -2,-0.4 2,-0.6 -0.937 12.2-148.4-126.4 128.5 5.9 26.3 45.4 41 53 A M E +KL 33 96C 0 -8,-3.1 -8,-2.4 -2,-0.4 55,-0.2 -0.928 35.5 144.7-100.3 111.3 2.4 25.4 46.7 42 54 A T E - L 0 95C 0 53,-2.8 53,-2.6 -2,-0.6 2,-0.4 -0.619 51.2 -75.2-130.3-177.2 -0.1 24.1 44.0 43 55 A A - 0 0 0 -12,-0.4 4,-0.5 51,-0.3 3,-0.4 -0.802 28.0-137.3 -89.2 133.1 -2.9 21.6 43.5 44 56 A A S > S+ 0 0 1 -2,-0.4 3,-1.4 1,-0.2 -1,-0.1 0.858 102.7 68.7 -56.6 -24.6 -2.1 17.9 43.2 45 57 A H G > S+ 0 0 79 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.870 95.0 56.2 -69.4 -23.5 -4.6 17.7 40.4 46 58 A a G 3 S+ 0 0 14 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.659 107.8 45.1 -77.9 -35.1 -2.3 19.8 38.3 47 59 A V G < S+ 0 0 16 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 -0.036 78.8 108.1-104.1 23.0 0.7 17.5 38.6 48 60 A D < + 0 0 50 -3,-1.2 2,-0.3 2,-0.1 -1,-0.1 0.870 68.2 65.3 -60.8 -49.5 -1.2 14.2 38.0 49 61 A R S S- 0 0 200 -4,-0.2 2,-2.1 -3,-0.2 0, 0.0 -0.675 93.3-116.2 -88.3 123.5 0.3 13.6 34.5 50 62 A E + 0 0 197 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.540 62.6 141.6 -59.5 79.9 4.0 13.0 34.2 51 63 A L - 0 0 77 -2,-2.1 2,-0.6 -29,-0.0 -29,-0.1 -0.323 60.5 -94.9-111.8 172.9 4.9 16.1 32.2 52 64 A T - 0 0 88 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.952 48.2-161.6 -97.4 107.4 7.9 18.5 32.3 53 65 A F E -J 20 0C 13 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.791 16.0-176.9 -96.7 141.4 7.0 21.4 34.5 54 65AA R E -JM 19 73C 54 -35,-2.4 -35,-2.7 -2,-0.3 2,-0.4 -0.942 16.8-142.2-131.1 142.9 8.4 24.9 34.8 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.5 -2,-0.3 2,-0.5 -0.929 10.4-160.0-106.3 123.6 7.4 27.7 37.2 56 67 A V E -JM 17 71C 0 -39,-1.6 -39,-2.0 -2,-0.4 3,-0.4 -0.992 7.1-169.9-110.0 109.2 7.4 31.3 36.1 57 68 A V E +JM 16 70C 2 13,-2.1 13,-1.8 -2,-0.5 52,-0.1 -0.712 69.7 32.4 -93.7 144.0 7.5 33.9 38.8 58 69 A G S S+ 0 0 6 -43,-0.5 10,-0.3 50,-0.5 2,-0.3 0.859 83.5 155.8 85.5 19.4 6.9 37.6 37.9 59 70 A E + 0 0 15 -44,-0.4 -1,-0.2 -3,-0.4 3,-0.1 -0.691 16.8 149.1 -76.5 149.4 4.5 36.8 35.1 60 71 A H S S+ 0 0 11 1,-0.3 85,-1.2 -2,-0.3 2,-0.6 0.363 73.8 32.7-139.1 -53.2 1.8 39.2 33.9 61 72 A N B > -O 144 0D 12 3,-0.4 3,-1.1 83,-0.2 -1,-0.3 -0.928 64.4-161.0-118.8 99.2 1.3 38.6 30.2 62 73 A L T 3 S+ 0 0 32 81,-2.3 -1,-0.2 -2,-0.6 82,-0.1 0.935 93.9 41.7 -39.8 -44.0 1.8 34.9 29.3 63 74 A N T 3 S+ 0 0 125 80,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.296 112.7 61.8 -93.8 3.1 2.2 35.7 25.7 64 75 A Q S < S- 0 0 109 -3,-1.1 2,-0.5 79,-0.2 -3,-0.4 -0.988 85.7-108.4-142.6 133.9 4.4 38.8 26.1 65 76 A N - 0 0 123 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.602 29.9-179.8 -59.3 105.7 7.8 39.7 27.7 66 77 A N - 0 0 19 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.393 36.5-131.3 -83.3 -13.3 7.0 41.6 30.8 67 78 A G S S+ 0 0 59 1,-0.1 -8,-0.1 0, 0.0 -2,-0.1 0.444 93.9 79.7 76.7 -1.9 10.7 41.9 31.6 68 79 A T + 0 0 30 -10,-0.3 -1,-0.1 40,-0.0 40,-0.1 0.274 64.1 122.5-116.0 4.0 10.1 40.7 35.1 69 80 A E - 0 0 26 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.315 40.5-164.6 -79.5 141.0 9.9 37.0 34.5 70 81 A Q E -M 57 0C 50 -13,-1.8 -13,-2.1 2,-0.1 2,-0.6 -0.953 9.8-154.8-121.2 119.7 12.0 34.3 36.2 71 82 A Y E +M 56 0C 121 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.869 21.8 167.5-100.7 111.3 11.9 30.8 34.6 72 83 A V E -M 55 0C 16 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.975 26.9-129.4-129.4 140.2 12.7 27.9 36.9 73 84 A G E -M 54 0C 31 -2,-0.3 27,-2.6 -19,-0.2 2,-0.6 -0.430 23.2-115.3 -83.5 158.2 12.4 24.1 36.6 74 85 A V E +N 99 0C 31 -21,-1.2 25,-0.3 25,-0.3 -21,-0.2 -0.937 29.4 176.8 -97.2 110.4 10.8 21.8 39.1 75 86 A Q E + 0 0 116 23,-2.3 2,-0.4 -2,-0.6 24,-0.2 0.792 68.1 24.6 -84.6 -23.2 13.2 19.3 40.6 76 87 A K E -N 98 0C 86 22,-2.1 22,-2.0 2,-0.0 2,-0.5 -0.995 58.5-159.7-154.3 127.3 10.8 17.6 43.0 77 88 A I E -N 97 0C 71 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.986 7.1-173.8-113.1 114.4 7.1 17.0 43.3 78 89 A V E -N 96 0C 28 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.948 6.6-172.4-110.9 97.6 5.5 16.1 46.6 79 90 A V E -N 95 0C 63 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.692 40.7 -92.6 -90.1 133.3 1.8 15.2 46.3 80 91 A H > - 0 0 19 14,-1.7 3,-2.5 12,-0.4 -1,-0.1 -0.465 35.4-125.3 -47.4 116.7 -0.2 14.8 49.5 81 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.697 108.7 53.3 -43.1 -18.7 -0.1 11.0 50.3 82 93 A Y T 3 S+ 0 0 161 10,-0.1 11,-0.1 2,-0.0 -2,-0.0 0.464 76.8 126.6-100.5 -2.3 -3.9 10.9 50.4 83 94 A W < - 0 0 29 -3,-2.5 2,-0.4 9,-0.2 9,-0.1 -0.348 34.6-177.7 -66.6 115.8 -4.5 12.4 47.0 84 95 A N > - 0 0 79 7,-0.4 3,-2.1 3,-0.3 6,-0.2 -0.945 17.8-154.0-119.7 95.7 -6.7 10.2 44.9 85 96 A T T 3 S+ 0 0 59 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.780 94.3 55.1 -36.5 -39.6 -7.2 11.6 41.4 86 97 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.486 109.7 48.6 -79.3 -10.0 -10.5 9.8 41.0 87 98 A D X + 0 0 72 -3,-2.1 3,-0.8 1,-0.1 4,-0.4 -0.631 54.0 151.8-131.7 66.7 -11.9 11.4 44.1 88 99 A V G > S+ 0 0 35 -3,-0.4 3,-1.5 1,-0.2 5,-0.2 0.853 75.4 68.4 -66.7 -14.5 -11.2 15.1 44.0 89 99AA A G 3 S+ 0 0 24 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.754 88.5 64.4 -80.5 -11.3 -14.3 15.3 46.2 90 99BA A G < S- 0 0 32 -3,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.787 101.8-143.1 -83.8 -19.3 -12.3 13.7 48.9 91 100 A G < + 0 0 3 -3,-1.5 -7,-0.4 -4,-0.4 -1,-0.3 -0.744 63.1 124.2 101.0-139.7 -10.0 16.6 49.1 92 101 A Y + 0 0 82 -2,-0.3 2,-2.1 1,-0.2 -12,-0.4 0.615 35.2 154.4 48.0 24.5 -6.2 16.6 49.7 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 -1,-0.2 -0.567 30.2 112.8 -81.1 64.3 -5.8 18.5 46.4 94 103 A I + 0 0 0 -2,-2.1 -14,-1.7 -51,-0.2 2,-0.3 -0.977 38.9 179.9-142.0 130.1 -2.4 20.0 47.4 95 104 A A E -LN 42 79C 0 -53,-2.6 -53,-2.8 -2,-0.3 2,-0.4 -0.965 16.6-145.3-129.9 147.4 1.1 19.6 46.1 96 105 A L E -LN 41 78C 0 -18,-2.6 -18,-3.0 -2,-0.3 2,-0.5 -0.970 12.0-159.1-113.5 127.6 4.5 21.1 46.9 97 106 A L E -LN 40 77C 0 -57,-2.8 -57,-1.8 -2,-0.4 2,-0.6 -0.945 7.8-150.1-112.9 111.7 7.1 21.7 44.2 98 107 A R E -LN 39 76C 73 -22,-2.0 -23,-2.3 -2,-0.5 -22,-2.1 -0.696 25.2-135.9 -81.8 105.5 10.8 22.0 45.1 99 108 A L E - 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