==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 15-JUN-90 6EST . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.PRANGE,I.LI DE LASIERRA . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 66.2 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 . 85 35.4 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 . 22 9.2 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 1 0 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 . 7 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,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.1 11.6 62.2 1.6 2 17 A V B +A 182 0A 10 180,-2.5 180,-2.1 1,-0.2 134,-0.1 -0.863 360.0 17.4 -97.2 142.9 15.1 62.9 2.9 3 18 A G S S+ 0 0 42 132,-0.5 146,-0.3 -2,-0.4 2,-0.3 0.890 99.6 144.0 64.7 39.5 16.4 66.4 2.0 4 19 A G - 0 0 29 -3,-0.4 2,-0.3 131,-0.1 144,-0.2 -0.757 46.0-138.5-108.2 161.4 13.0 67.7 1.2 5 20 A T E -B 147 0B 94 142,-2.6 142,-2.6 -2,-0.3 2,-0.2 -0.825 39.4 -93.8-106.3 154.3 11.0 70.9 1.6 6 21 A E E -B 146 0B 118 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.446 43.1-125.2 -67.2 134.4 7.4 71.0 2.6 7 22 A A - 0 0 4 138,-2.7 2,-0.2 -2,-0.2 138,-0.1 -0.488 25.1-101.9 -78.7 153.9 4.9 71.0 -0.3 8 23 A Q >> - 0 0 125 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.535 36.6-108.9 -76.3 145.0 2.3 73.6 -0.7 9 24 A R T 34 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.695 113.8 23.9 -48.6 -32.9 -1.2 72.6 0.3 10 25 A N T 34 S+ 0 0 86 1,-0.1 -1,-0.3 99,-0.0 50,-0.0 0.252 92.6 99.7-121.5 15.0 -2.6 72.4 -3.3 11 26 A S T <4 S+ 0 0 47 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.837 92.0 30.8 -77.2 -28.3 0.6 71.9 -5.5 12 27 A W >< + 0 0 27 -4,-0.5 3,-1.9 1,-0.1 -1,-0.3 -0.496 69.4 169.3-127.2 67.5 0.3 68.1 -6.0 13 28 A P T 3 S+ 0 0 41 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.532 70.9 59.5 -66.7 -10.8 -3.5 67.3 -6.0 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.6 97,-0.1 2,-0.3 0.457 77.3 113.8 -87.6 -2.8 -3.3 63.7 -7.2 15 30 A Q E < -I 33 0C 7 -3,-1.9 44,-0.5 18,-0.2 43,-0.4 -0.533 48.1-171.6 -68.4 130.3 -1.2 62.5 -4.3 16 31 A I E -I 32 0C 0 16,-2.3 2,-0.6 -2,-0.3 16,-0.6 -0.831 23.4-128.7-118.3 161.4 -3.0 60.1 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.2 -2,-0.3 2,-0.6 -0.961 17.8-154.2-102.9 119.7 -2.3 58.6 1.4 18 33 A L E +IJ 30 55C 0 12,-2.9 11,-2.7 -2,-0.6 12,-1.5 -0.901 25.2 178.3 -91.8 124.5 -2.7 54.8 1.4 19 34 A Q E -IJ 28 54C 12 35,-2.5 35,-2.5 -2,-0.6 2,-0.3 -0.928 18.9-154.6-127.2 150.6 -3.5 53.8 4.9 20 35 A Y E -IJ 27 53C 67 7,-2.4 7,-2.5 -2,-0.3 2,-0.5 -0.920 31.3-101.3-123.7 155.9 -4.2 50.6 6.7 21 36 A R E -I 26 0C 113 31,-2.1 2,-0.6 -2,-0.3 31,-0.3 -0.587 34.5-174.9 -78.3 116.7 -6.2 50.0 9.9 22 36AA S E > -I 25 0C 41 3,-2.4 3,-2.4 -2,-0.5 2,-0.4 -0.926 64.3 -50.6-113.6 109.4 -4.0 49.4 12.9 23 36BA G T 3 S- 0 0 74 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.545 121.8 -26.5 65.8-117.7 -6.0 48.5 16.0 24 36CA S T 3 S+ 0 0 110 -2,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.435 131.0 77.1 -99.1 -5.2 -8.7 51.2 16.1 25 37 A S E < S-I 22 0C 75 -3,-2.4 -3,-2.4 -4,-0.0 2,-0.4 -0.442 74.4-128.9-103.6 169.5 -6.5 53.7 14.3 26 38 A W E -I 21 0C 71 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.930 24.2-163.3-113.9 148.2 -5.5 54.2 10.7 27 39 A A E -I 20 0C 29 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.3 -0.996 21.8-115.4-137.1 136.3 -1.8 54.5 9.8 28 40 A H E +I 19 0C 22 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.575 40.4 157.8 -64.7 132.1 -0.0 55.8 6.7 29 41 A T E + 0 0 47 -11,-2.7 2,-0.2 1,-0.4 159,-0.2 0.654 59.2 0.1-120.2 -42.2 2.0 53.1 4.8 30 42 A a E -I 18 0C 6 -12,-1.5 -12,-2.9 157,-0.1 -1,-0.4 -0.816 58.1-123.0-145.4 166.1 2.4 54.3 1.2 31 43 A G E +I 17 0C 2 157,-3.0 12,-0.3 -2,-0.2 2,-0.3 -0.350 28.5 171.1 -95.6-169.6 1.6 57.0 -1.4 32 44 A G E -I 16 0C 0 -16,-0.6 -16,-2.3 -2,-0.1 2,-0.4 -0.919 30.9-107.0 176.7 173.2 -0.2 56.7 -4.7 33 45 A T E -IK 15 41C 1 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.977 23.9-129.6-120.2 127.5 -1.7 58.8 -7.5 34 46 A L E + K 0 40C 1 -20,-2.6 78,-3.0 -2,-0.4 6,-0.2 -0.662 35.2 167.4 -66.2 119.8 -5.4 59.2 -8.1 35 47 A I E + 0 0 3 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.593 64.3 18.6-111.1 -21.4 -5.7 58.4 -11.8 36 48 A R E > S- K 0 39C 93 3,-2.3 3,-1.6 74,-0.1 -1,-0.4 -0.945 87.5-101.8-137.4 163.3 -9.6 58.1 -12.0 37 49 A Q T 3 S+ 0 0 84 -2,-0.3 66,-2.6 1,-0.3 3,-0.0 0.759 128.5 23.2 -54.1 -29.3 -12.4 59.4 -9.7 38 50 A N T 3 S+ 0 0 30 64,-0.2 61,-2.6 1,-0.1 2,-0.4 0.059 115.1 78.6-122.4 23.3 -12.5 55.8 -8.5 39 51 A W E < -KL 36 98C 5 -3,-1.6 -4,-2.7 59,-0.2 -3,-2.3 -0.980 49.8-172.1-140.6 130.5 -9.0 54.4 -9.3 40 52 A V E -KL 34 97C 0 57,-2.4 57,-2.9 -2,-0.4 2,-0.4 -0.878 13.8-145.9-111.8 146.8 -5.6 54.9 -7.6 41 53 A M E +KL 33 96C 0 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.2 -0.939 34.0 147.6-107.9 133.7 -2.2 53.7 -8.8 42 54 A T E - L 0 95C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.851 51.5 -70.6-148.1-174.8 0.4 52.6 -6.2 43 55 A A >> - 0 0 0 -12,-0.3 3,-1.7 51,-0.3 4,-0.7 -0.702 35.7-131.8 -86.8 139.9 3.3 50.1 -5.9 44 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.887 105.1 61.7 -56.7 -39.4 2.4 46.4 -5.8 45 57 A H G >4 S+ 0 0 55 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.722 92.8 66.7 -59.8 -21.6 4.6 45.9 -2.7 46 58 A a G <4 S+ 0 0 11 -3,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.849 104.7 42.3 -71.5 -28.6 2.4 48.3 -0.7 47 59 A V G << S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.021 81.9 106.9-105.8 27.1 -0.6 46.0 -0.9 48 60 A D < + 0 0 60 -3,-1.0 2,-0.4 2,-0.1 -1,-0.2 0.861 67.7 67.7 -73.4 -38.2 1.3 42.7 -0.2 49 61 A R S S- 0 0 169 -3,-0.3 2,-1.8 -4,-0.3 0, 0.0 -0.698 91.4-120.7 -84.7 139.3 -0.1 42.3 3.4 50 62 A E + 0 0 176 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 -0.543 59.4 141.3 -82.5 84.2 -3.7 41.6 3.6 51 63 A L - 0 0 65 -2,-1.8 2,-0.6 -4,-0.0 -29,-0.1 -0.679 62.1 -96.0-114.9 165.5 -4.8 44.6 5.7 52 64 A T - 0 0 94 -31,-0.3 -31,-2.1 -2,-0.2 2,-0.3 -0.838 51.9-165.4 -80.1 126.1 -8.0 46.8 5.5 53 65 A F E -J 20 0C 15 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.887 16.0-173.2-113.6 143.6 -6.9 49.7 3.4 54 65AA R E -JM 19 73C 55 -35,-2.5 -35,-2.5 -2,-0.3 2,-0.5 -0.959 17.2-138.2-126.6 156.6 -8.4 53.2 2.9 55 66 A V E -JM 18 72C 0 17,-2.7 17,-2.7 -2,-0.3 2,-0.5 -0.944 13.1-159.2-109.0 131.1 -7.4 55.9 0.5 56 67 A V E -JM 17 71C 0 -39,-2.2 -39,-2.0 -2,-0.5 2,-0.3 -0.969 9.2-172.5-109.7 125.1 -7.4 59.5 1.7 57 68 A V E + M 0 70C 3 13,-2.6 13,-2.3 -2,-0.5 52,-0.1 -0.808 67.4 37.1-109.7 160.8 -7.5 62.3 -0.9 58 69 A G S S+ 0 0 7 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.850 85.4 156.2 64.2 34.4 -7.2 66.1 -0.2 59 70 A E + 0 0 15 -44,-0.5 -1,-0.2 -3,-0.3 3,-0.1 -0.779 16.8 144.2-100.6 136.2 -4.5 65.2 2.4 60 71 A H S S+ 0 0 6 -2,-0.4 85,-1.5 1,-0.4 2,-0.6 0.564 72.2 31.6-126.2 -59.1 -1.8 67.6 3.5 61 72 A N B > -O 144 0D 18 3,-0.2 3,-0.9 83,-0.2 -1,-0.4 -0.952 69.6-153.3-106.0 118.6 -1.1 67.1 7.3 62 73 A L T 3 S+ 0 0 39 81,-2.9 -1,-0.2 -2,-0.6 82,-0.1 0.967 89.0 36.9 -57.6 -49.1 -1.6 63.5 8.3 63 74 A N T 3 S+ 0 0 99 80,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.120 108.6 63.9-101.9 20.5 -2.4 64.1 12.0 64 75 A Q S < S- 0 0 117 -3,-0.9 -3,-0.2 79,-0.2 -4,-0.2 -0.986 88.4-103.8-131.1 149.6 -4.4 67.4 11.9 65 76 A N - 0 0 130 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.464 33.1-177.9 -63.3 140.4 -7.9 68.1 10.3 66 77 A N - 0 0 27 -2,-0.1 -1,-0.1 -8,-0.1 -4,-0.0 0.409 35.6-125.9-120.2 -9.6 -7.4 70.0 7.0 67 78 A G S S+ 0 0 63 1,-0.1 -2,-0.1 2,-0.0 -9,-0.0 0.536 96.0 75.1 78.8 5.7 -11.0 70.6 5.9 68 79 A T + 0 0 23 -10,-0.3 2,-0.2 40,-0.0 -9,-0.1 0.474 63.1 118.3-124.1 -10.6 -10.2 69.0 2.5 69 80 A E - 0 0 25 -13,-0.1 2,-0.4 -11,-0.0 -11,-0.2 -0.411 37.4-170.6 -82.8 136.0 -10.0 65.3 3.1 70 81 A Q E -M 57 0C 45 -13,-2.3 -13,-2.6 -2,-0.2 2,-0.6 -0.983 12.3-156.1-113.7 135.5 -12.2 62.7 1.5 71 82 A Y E +M 56 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.958 16.8 177.6-116.9 115.3 -11.8 59.3 3.0 72 83 A V E -M 55 0C 6 -17,-2.7 -17,-2.7 -2,-0.6 29,-0.1 -0.948 24.6-124.0-127.2 138.8 -12.8 56.4 0.7 73 84 A G E -M 54 0C 37 27,-0.5 27,-3.0 -2,-0.4 2,-0.5 -0.408 27.0-113.9 -76.4 154.9 -12.7 52.6 1.2 74 85 A V E +N 99 0C 36 -21,-1.2 25,-0.2 25,-0.2 -21,-0.1 -0.780 30.5 178.0 -91.9 129.7 -10.9 50.3 -1.2 75 86 A Q E + 0 0 111 23,-3.0 2,-0.3 -2,-0.5 24,-0.2 0.672 65.8 13.6-100.1 -27.4 -13.2 47.9 -3.1 76 87 A K E -N 98 0C 84 22,-1.7 22,-2.9 2,-0.0 2,-0.5 -0.973 55.0-157.7-156.9 133.6 -10.7 46.0 -5.4 77 88 A I E -N 97 0C 72 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.975 8.0-174.6-113.0 127.3 -6.9 45.6 -5.7 78 89 A V E -N 96 0C 29 18,-2.8 18,-2.8 -2,-0.5 2,-0.2 -0.931 9.5-171.8-119.0 100.4 -5.4 44.6 -9.1 79 90 A V E -N 95 0C 57 -2,-0.6 16,-0.2 16,-0.3 14,-0.1 -0.636 40.4 -85.8 -85.4 156.1 -1.6 44.0 -8.8 80 91 A H > - 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