==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 22-NOV-94 1EAS . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.CECCARELLI . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 67.9 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 . 81 33.8 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 . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.0 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 . 5 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 16 A V > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.1 -12.0 33.4 36.7 2 17 A V B 3 +A 182 0A 11 180,-2.7 180,-1.6 1,-0.2 134,-0.1 -0.800 360.0 10.8 -94.7 138.4 -15.5 34.1 35.6 3 18 A G T 3 S+ 0 0 39 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.772 100.4 126.8 69.6 25.7 -16.9 37.6 36.3 4 19 A G < - 0 0 22 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.238 52.0-127.1-101.6-167.5 -13.5 39.1 37.3 5 20 A T E -B 147 0B 91 142,-2.4 142,-2.5 -2,-0.1 2,-0.1 -0.963 37.3 -87.4-139.3 152.7 -11.4 42.0 36.3 6 21 A E E -B 146 0B 110 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.437 47.4-130.0 -62.9 131.1 -7.8 42.3 35.2 7 22 A A - 0 0 3 138,-2.7 2,-0.2 -2,-0.1 138,-0.1 -0.437 27.4 -94.7 -78.3 159.6 -5.5 42.6 38.3 8 23 A Q > - 0 0 142 -2,-0.1 3,-2.4 1,-0.1 4,-0.4 -0.498 41.8-104.5 -74.0 147.4 -2.9 45.3 38.6 9 24 A R T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.609 117.5 26.9 -45.2 -23.2 0.6 44.3 37.5 10 25 A N T 3 S+ 0 0 84 1,-0.1 -1,-0.3 50,-0.0 -2,-0.0 0.097 90.2 105.2-132.5 25.4 1.9 44.0 41.0 11 26 A S S < S+ 0 0 42 -3,-2.4 -2,-0.1 1,-0.2 -1,-0.1 0.879 90.2 24.6 -74.3 -40.2 -1.2 43.2 43.0 12 27 A W > + 0 0 31 -4,-0.4 3,-1.5 1,-0.1 -1,-0.2 -0.646 65.9 168.5-131.0 75.2 -0.7 39.5 43.7 13 28 A P T 3 S+ 0 0 28 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.510 74.0 62.1 -62.8 -14.1 3.1 38.8 43.6 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 2,-0.3 0.574 78.6 105.3 -91.3 -11.9 2.7 35.3 45.1 15 30 A Q E < -I 33 0C 7 -3,-1.5 43,-0.4 18,-0.2 44,-0.4 -0.518 51.9-172.9 -70.1 131.3 0.6 34.0 42.2 16 31 A I E -I 32 0C 1 16,-2.3 16,-0.8 -2,-0.3 2,-0.6 -0.811 23.8-127.5-123.5 161.5 2.4 31.7 39.9 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.3 -2,-0.3 2,-0.6 -0.966 18.3-154.1-108.9 119.6 1.7 30.0 36.5 18 33 A L E -IJ 30 55C 0 12,-2.7 11,-2.8 -2,-0.6 12,-1.6 -0.847 22.4-178.4 -92.7 117.9 2.2 26.2 36.5 19 34 A Q E -IJ 28 54C 12 35,-2.9 35,-2.3 -2,-0.6 2,-0.3 -0.901 17.2-153.7-122.0 150.3 2.9 25.2 32.9 20 35 A Y E -IJ 27 53C 71 7,-2.3 7,-2.2 -2,-0.3 2,-0.5 -0.906 26.8-111.2-120.6 151.8 3.6 21.8 31.3 21 36 A R E -I 26 0C 113 31,-2.2 2,-0.6 -2,-0.3 31,-0.4 -0.716 27.0-171.9 -87.4 121.0 5.6 21.2 28.1 22 36AA S E > -I 25 0C 41 3,-3.2 3,-1.9 -2,-0.5 2,-1.4 -0.960 69.4 -45.5-111.5 105.9 3.6 20.0 25.1 23 36BA G T 3 S- 0 0 78 -2,-0.6 -2,-0.1 1,-0.3 3,-0.0 -0.512 123.7 -29.7 75.3 -96.5 5.9 19.1 22.3 24 36CA S T 3 S+ 0 0 109 -2,-1.4 -1,-0.3 2,-0.1 2,-0.1 0.424 127.2 82.7-125.9 -18.2 8.3 22.0 22.4 25 37 A S E < S-I 22 0C 64 -3,-1.9 -3,-3.2 -4,-0.0 2,-0.3 -0.455 71.1-132.4 -89.5 160.7 5.8 24.5 23.6 26 38 A W E -I 21 0C 73 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.823 18.4-163.8-110.8 150.6 4.7 25.3 27.2 27 39 A A E -I 20 0C 31 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.2 -0.989 22.8-118.5-141.7 131.2 1.1 25.6 28.2 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.462 40.0 159.8 -63.3 134.7 -0.5 27.1 31.3 29 41 A T E + 0 0 46 -11,-2.8 2,-0.3 1,-0.4 159,-0.2 0.619 56.8 0.1-129.6 -30.0 -2.5 24.5 33.2 30 42 A a E -I 18 0C 5 -12,-1.6 -12,-2.7 157,-0.1 -1,-0.4 -0.939 60.0-117.7-155.4 170.0 -2.9 25.6 36.8 31 43 A G E +I 17 0C 2 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.433 30.0 175.3-101.8-177.9 -2.1 28.4 39.3 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-2.3 -2,-0.2 2,-0.4 -0.955 27.0-112.1-174.7 173.1 -0.1 28.1 42.5 33 45 A T E -IK 15 41C 0 8,-2.6 8,-2.6 -2,-0.3 2,-0.5 -0.983 21.8-129.7-127.0 128.0 1.3 30.2 45.3 34 46 A L E + K 0 40C 0 -20,-2.6 78,-3.3 -2,-0.4 6,-0.2 -0.661 35.4 164.4 -73.8 120.4 5.0 30.9 46.0 35 47 A I E + 0 0 3 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.557 66.6 14.3-114.0 -14.9 5.5 30.1 49.7 36 48 A R E > S- K 0 39C 79 3,-1.7 3,-1.1 74,-0.1 -1,-0.4 -0.927 88.4-100.4-148.6 163.0 9.3 29.9 49.8 37 49 A Q T 3 S+ 0 0 85 -2,-0.3 66,-2.4 1,-0.2 64,-0.1 0.708 127.3 25.8 -62.4 -17.4 11.9 31.1 47.3 38 50 A N T 3 S+ 0 0 42 64,-0.2 61,-2.9 1,-0.1 2,-0.4 0.121 112.8 76.9-132.1 20.1 12.2 27.5 46.1 39 51 A W E < -KL 36 98C 4 -3,-1.1 -4,-2.3 59,-0.2 -3,-1.7 -0.998 51.4-170.7-136.8 134.3 8.8 26.0 47.0 40 52 A V E -KL 34 97C 0 57,-2.3 57,-3.1 -2,-0.4 2,-0.4 -0.951 13.0-146.4-123.1 137.8 5.4 26.4 45.4 41 53 A M E +KL 33 96C 0 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.2 -0.905 33.8 146.7-104.0 132.0 2.0 25.3 46.8 42 54 A T E - L 0 95C 0 53,-2.6 53,-2.1 -2,-0.4 2,-0.4 -0.770 50.5 -70.1-146.9-173.1 -0.6 24.0 44.3 43 55 A A >> - 0 0 0 -12,-0.4 3,-1.8 51,-0.2 4,-0.7 -0.752 34.2-130.7 -89.2 142.6 -3.4 21.5 44.0 44 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.893 105.6 63.5 -58.0 -38.8 -2.6 17.8 43.9 45 57 A H G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.506 96.8 59.1 -67.3 -4.3 -4.9 17.3 40.8 46 58 A a G <4 S+ 0 0 10 -3,-1.8 -1,-0.2 1,-0.1 3,-0.2 0.735 111.9 36.4 -91.0 -28.9 -2.6 19.7 38.8 47 59 A V S << S+ 0 0 8 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 -0.136 83.5 109.6-121.0 40.7 0.5 17.6 39.2 48 60 A D + 0 0 54 -3,-0.2 2,-0.3 37,-0.1 -1,-0.1 0.484 64.8 69.1 -89.9 -18.4 -1.0 14.1 39.0 49 61 A R S S- 0 0 163 -3,-0.2 2,-2.2 -4,-0.0 -3,-0.0 -0.721 94.7-105.8-101.9 162.9 0.4 13.1 35.6 50 62 A E + 0 0 162 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.506 69.5 147.6 -84.2 65.4 4.0 12.4 34.7 51 63 A L - 0 0 59 -2,-2.2 2,-0.6 -29,-0.0 -29,-0.1 -0.628 56.1-112.0-101.5 160.8 4.2 15.7 32.9 52 64 A T - 0 0 68 -31,-0.4 -31,-2.2 -2,-0.2 2,-0.3 -0.869 46.4-169.0 -92.1 119.0 7.2 18.0 32.5 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.743 20.0-178.0-112.0 159.4 6.5 21.2 34.5 54 65AA R E -JM 19 73C 56 -35,-2.3 -35,-2.9 -2,-0.3 2,-0.4 -0.962 19.2-136.6-146.8 154.7 7.8 24.7 34.9 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.5 -0.935 10.4-157.7-114.2 136.9 6.8 27.6 37.1 56 67 A V E -JM 17 71C 0 -39,-2.3 -39,-2.1 -2,-0.4 3,-0.3 -0.980 12.1-173.7-117.7 118.7 6.6 31.1 35.9 57 68 A V E + M 0 70C 2 13,-2.6 13,-1.7 -2,-0.5 52,-0.1 -0.741 67.1 31.9-106.2 158.0 6.8 33.9 38.6 58 69 A G S S+ 0 0 6 50,-0.5 10,-0.3 -43,-0.4 2,-0.3 0.801 86.6 151.7 66.6 28.9 6.4 37.6 37.9 59 70 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.680 17.0 151.6 -95.5 140.2 3.9 36.8 35.2 60 71 A H + 0 0 8 1,-0.3 85,-1.9 -2,-0.3 2,-0.6 0.554 68.5 38.7-130.4 -50.4 1.0 39.0 34.1 61 72 A N B -O 144 0D 16 83,-0.2 -1,-0.3 3,-0.2 83,-0.3 -0.950 66.8-153.5-110.8 112.8 0.1 38.5 30.5 62 73 A L S S+ 0 0 38 81,-3.5 -1,-0.1 -2,-0.6 82,-0.1 0.849 93.2 34.4 -52.5 -39.6 0.4 34.9 29.5 63 74 A N S S+ 0 0 110 80,-0.3 -1,-0.2 -3,-0.1 81,-0.1 0.963 109.1 62.0 -82.3 -58.4 1.1 35.7 25.8 64 75 A Q S S- 0 0 123 1,-0.1 2,-0.8 79,-0.1 -3,-0.2 -0.225 86.7-114.7 -66.8 156.0 3.2 39.0 25.9 65 76 A N - 0 0 117 1,-0.2 -1,-0.1 -5,-0.1 -3,-0.1 -0.872 27.7-169.7 -95.2 110.6 6.6 39.1 27.5 66 77 A N - 0 0 35 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.728 33.1-125.5 -70.0 -24.9 6.0 41.5 30.4 67 78 A G S S+ 0 0 58 -3,-0.1 -8,-0.1 -9,-0.0 -2,-0.1 0.527 95.1 81.1 88.9 7.5 9.8 41.7 31.2 68 79 A T + 0 0 25 -10,-0.3 2,-0.1 40,-0.0 40,-0.1 0.301 64.7 119.8-124.4 5.5 9.3 40.7 34.8 69 80 A E - 0 0 25 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.375 39.5-170.1 -78.7 149.3 9.1 36.9 34.4 70 81 A Q E -M 57 0C 41 -13,-1.7 -13,-2.6 -2,-0.1 2,-0.5 -0.985 10.3-158.2-136.2 122.9 11.4 34.2 35.9 71 82 A Y E +M 56 0C 98 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 16.5 173.6-107.3 123.8 10.9 30.7 34.6 72 83 A V E -M 55 0C 8 -17,-2.5 -17,-3.0 -2,-0.5 2,-0.1 -0.974 26.8-120.2-132.0 145.0 12.2 27.9 36.8 73 84 A G E -M 54 0C 25 -2,-0.4 27,-2.9 -19,-0.2 2,-0.5 -0.368 26.2-112.9 -79.5 161.8 11.9 24.2 36.5 74 85 A V E +N 99 0C 33 -21,-1.2 25,-0.2 25,-0.2 -21,-0.2 -0.862 32.0 176.6 -97.0 126.3 10.2 21.9 39.0 75 86 A Q E + 0 0 115 23,-3.0 2,-0.4 -2,-0.5 24,-0.2 0.804 65.0 17.9 -98.0 -41.0 12.7 19.6 40.7 76 87 A K E -N 98 0C 83 22,-1.7 22,-3.0 2,-0.0 2,-0.5 -0.999 58.7-159.3-139.3 138.3 10.5 17.7 43.2 77 88 A I E -N 97 0C 65 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.972 7.0-174.8-119.1 119.3 6.8 17.1 43.5 78 89 A V E -N 96 0C 28 18,-3.2 18,-2.5 -2,-0.5 2,-0.2 -0.912 6.7-171.8-116.3 102.2 5.3 16.1 46.9 79 90 A V E -N 95 0C 37 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.650 42.7 -87.5 -87.0 149.8 1.5 15.4 46.6 80 91 A H > - 0 0 22 14,-2.2 3,-1.7 12,-0.4 -1,-0.1 -0.382 37.2-127.2 -58.4 135.9 -0.3 14.9 49.9 81 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.700 107.1 50.9 -56.3 -28.7 -0.1 11.1 50.8 82 93 A Y T 3 S+ 0 0 171 10,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.419 80.7 121.8 -91.1 -0.5 -3.8 10.7 51.2 83 94 A W < - 0 0 25 -3,-1.7 2,-0.6 9,-0.2 9,-0.1 -0.443 49.3-155.6 -66.0 131.8 -4.7 12.3 47.8 84 95 A N - 0 0 88 7,-0.4 6,-0.1 3,-0.4 7,-0.1 -0.945 15.3-135.7-112.2 119.1 -6.6 10.0 45.6 85 96 A T S S+ 0 0 95 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.836 104.0 42.7 -41.0 -46.0 -6.3 10.7 41.9 86 97 A D S S+ 0 0 150 1,-0.2 2,-0.9 -3,-0.1 -1,-0.2 0.997 100.1 84.9 -59.9 -65.4 -10.0 10.3 41.2 87 98 A D > + 0 0 53 1,-0.2 4,-0.7 2,-0.1 -3,-0.4 -0.264 24.8 148.8 -52.0 79.8 -11.2 12.2 44.3 88 99 A V T >4 S+ 0 0 42 -2,-0.9 3,-0.9 1,-0.2 5,-0.2 0.930 86.9 53.9 -74.3 -32.1 -11.6 15.9 44.4 89 99AA A T 34 S+ 0 0 28 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.787 98.0 62.0 -70.7 -29.5 -14.5 15.4 46.8 90 99BA A T 34 S- 0 0 44 1,-0.2 -1,-0.2 -6,-0.1 2,-0.2 0.729 101.7-138.0 -70.0 -22.2 -12.4 13.3 49.3 91 100 A G << + 0 0 3 -3,-0.9 -7,-0.4 -4,-0.7 -1,-0.2 -0.597 69.4 112.1 101.1-164.9 -10.0 16.2 50.0 92 101 A Y + 0 0 86 -2,-0.2 2,-2.2 1,-0.2 -12,-0.4 0.683 39.5 158.0 61.9 23.7 -6.3 16.3 50.4 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.501 32.7 108.1 -79.6 76.8 -6.0 18.3 47.2 94 103 A I + 0 0 0 -2,-2.2 -14,-2.2 -51,-0.3 2,-0.3 -0.989 37.8 173.8-154.0 143.9 -2.7 19.9 47.9 95 104 A A E -LN 42 79C 0 -53,-2.1 -53,-2.6 -2,-0.3 2,-0.4 -0.986 19.8-142.4-150.3 153.4 0.9 19.5 46.7 96 105 A L E -LN 41 78C 0 -18,-2.5 -18,-3.2 -2,-0.3 2,-0.5 -0.974 12.5-156.7-122.2 132.5 4.3 21.2 47.1 97 106 A L E -LN 40 77C 0 -57,-3.1 -57,-2.3 -2,-0.4 2,-0.6 -0.949 9.0-145.2-113.3 121.0 6.7 21.7 44.3 98 107 A R E -LN 39 76C 67 -22,-3.0 -23,-3.0 -2,-0.5 -22,-1.7 -0.783 24.6-131.4 -83.7 122.9 10.4 22.1 45.0 99 108 A L E - 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