==== 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 1EAT . 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) . 10596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.8 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 . 79 32.9 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 . 5 2.1 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 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 . 4 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 0.000 360.0 360.0 360.0 126.6 -11.8 33.4 36.7 2 17 A V B +A 182 0A 9 180,-2.7 180,-1.6 1,-0.2 134,-0.1 -0.844 360.0 12.8-101.4 136.7 -15.4 34.1 35.7 3 18 A G S S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.820 101.6 135.5 70.4 28.8 -17.0 37.6 36.3 4 19 A G - 0 0 24 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.350 49.0-135.3-103.1-177.7 -13.6 39.0 37.1 5 20 A T E -B 147 0B 89 142,-2.4 142,-2.5 -2,-0.1 2,-0.1 -0.949 37.1 -89.8-134.9 152.8 -11.5 42.1 36.3 6 21 A E E -B 146 0B 110 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.445 43.3-129.1 -65.8 138.4 -7.8 42.3 35.4 7 22 A A - 0 0 3 138,-2.8 2,-0.1 -2,-0.1 138,-0.1 -0.490 22.8-102.9 -86.8 153.9 -5.5 42.7 38.3 8 23 A Q > - 0 0 133 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.479 38.6-110.9 -68.5 152.9 -2.8 45.4 38.6 9 24 A R T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.680 114.3 37.5 -64.4 -12.9 0.6 44.0 37.8 10 25 A N T 3 S+ 0 0 83 1,-0.1 -1,-0.3 99,-0.0 50,-0.0 0.210 89.1 94.5-122.7 17.5 1.8 44.2 41.3 11 26 A S S < S+ 0 0 51 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.902 94.8 25.3 -75.8 -43.1 -1.3 43.3 43.4 12 27 A W > + 0 0 31 -4,-0.5 3,-1.2 1,-0.1 -1,-0.2 -0.620 65.3 167.4-128.5 78.4 -0.7 39.6 43.9 13 28 A P T 3 S+ 0 0 32 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.450 72.5 62.4 -66.3 -13.1 3.1 38.9 43.8 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.640 78.3 106.8 -89.1 -18.3 2.8 35.4 45.3 15 30 A Q E < -I 33 0C 9 -3,-1.2 43,-0.5 18,-0.2 44,-0.3 -0.353 50.8-173.2 -62.0 134.7 0.6 34.1 42.4 16 31 A I E -I 32 0C 1 16,-1.9 16,-0.8 41,-0.1 2,-0.5 -0.880 24.0-128.4-128.2 163.8 2.5 31.7 40.0 17 32 A S E -IJ 31 56C 0 39,-1.9 39,-2.1 -2,-0.3 2,-0.6 -0.969 18.7-153.7-113.2 117.6 1.7 30.0 36.7 18 33 A L E -IJ 30 55C 0 12,-2.9 11,-2.7 -2,-0.5 12,-1.5 -0.864 21.7-176.2 -90.7 121.2 2.4 26.3 36.6 19 34 A Q E -IJ 28 54C 11 35,-3.1 35,-2.4 -2,-0.6 2,-0.3 -0.930 16.0-156.6-125.1 146.9 3.1 25.1 33.1 20 35 A Y E -IJ 27 53C 71 7,-2.3 7,-2.7 -2,-0.4 2,-0.5 -0.839 30.3-104.5-116.4 157.7 3.8 21.8 31.4 21 36 A R E -I 26 0C 124 31,-1.9 2,-0.6 -2,-0.3 31,-0.3 -0.703 29.8-172.7 -89.1 122.7 5.7 21.2 28.2 22 36AA S E > -I 25 0C 39 3,-3.2 3,-2.4 -2,-0.5 2,-0.9 -0.956 67.2 -47.9-112.4 106.6 3.6 20.3 25.2 23 36BA G T 3 S- 0 0 80 -2,-0.6 -2,-0.1 1,-0.3 3,-0.0 -0.535 123.2 -26.7 73.2-106.2 5.8 19.3 22.3 24 36CA S T 3 S+ 0 0 117 -2,-0.9 -1,-0.3 2,-0.0 2,-0.2 0.364 130.4 74.7-119.0 -2.7 8.4 22.0 22.3 25 37 A S E < S-I 22 0C 64 -3,-2.4 -3,-3.2 -5,-0.0 2,-0.4 -0.556 74.6-123.3-108.4 172.4 6.2 24.6 23.8 26 38 A W E -I 21 0C 77 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.907 19.3-163.0-117.9 142.0 4.8 25.3 27.3 27 39 A A E -I 20 0C 29 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.3 -0.989 23.0-119.2-129.5 136.6 1.2 25.5 28.2 28 40 A H E +I 19 0C 22 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.543 39.8 159.8 -68.7 133.8 -0.4 27.0 31.4 29 41 A T E + 0 0 36 -11,-2.7 2,-0.3 1,-0.4 157,-0.2 0.648 56.4 3.7-127.2 -30.0 -2.3 24.4 33.3 30 42 A a E -I 18 0C 5 -12,-1.5 -12,-2.9 157,-0.1 -1,-0.4 -0.941 59.7-119.0-153.9 165.9 -2.7 25.7 36.9 31 43 A G E +I 17 0C 1 157,-2.9 12,-0.3 -2,-0.3 2,-0.3 -0.382 31.5 176.4 -95.4-175.7 -2.1 28.5 39.4 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-1.9 -2,-0.1 2,-0.4 -0.957 25.8-114.5-174.4 174.3 0.0 28.2 42.5 33 45 A T E -IK 15 41C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.998 21.0-128.9-131.9 128.5 1.4 30.3 45.4 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.2 -2,-0.4 6,-0.2 -0.650 36.0 164.5 -72.8 115.1 5.1 31.1 46.1 35 47 A I E + 0 0 2 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.641 67.7 12.2-107.7 -20.9 5.6 30.1 49.8 36 48 A R E > S- K 0 39C 83 3,-1.6 3,-1.0 74,-0.1 -1,-0.3 -0.900 89.0-100.3-143.1 164.9 9.4 30.0 50.0 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.7 1,-0.2 64,-0.1 0.697 127.1 27.4 -64.3 -15.8 11.9 31.3 47.5 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-3.0 62,-0.1 2,-0.4 0.145 112.1 77.1-130.5 17.7 12.2 27.6 46.3 39 51 A W E < -KL 36 98C 6 -3,-1.0 -4,-2.1 59,-0.2 -3,-1.6 -0.996 52.7-168.4-134.2 137.9 8.8 26.1 47.2 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.8 -2,-0.4 2,-0.5 -0.964 10.7-148.6-126.2 136.3 5.5 26.4 45.5 41 53 A M E +KL 33 96C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.898 34.3 141.3-103.9 132.4 2.1 25.3 46.9 42 54 A T E - L 0 95C 0 53,-2.3 53,-2.0 -2,-0.5 2,-0.3 -0.786 51.9 -66.0-150.4-170.8 -0.6 24.1 44.5 43 55 A A >> - 0 0 0 -12,-0.3 3,-1.4 51,-0.2 4,-0.7 -0.693 33.5-133.5 -88.9 145.9 -3.3 21.5 44.1 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.3 4,-0.2 0.916 104.1 63.3 -64.1 -40.5 -2.5 17.8 43.9 45 57 A H G 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 143,-0.0 0.496 98.0 59.9 -63.7 -4.7 -4.8 17.2 40.9 46 58 A a G <4 S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.1 3,-0.2 0.799 113.4 31.9 -89.2 -35.6 -2.5 19.6 38.9 47 59 A V S << S+ 0 0 8 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 -0.033 84.6 112.5-114.8 32.0 0.7 17.6 39.3 48 60 A D + 0 0 47 -4,-0.2 2,-0.3 37,-0.1 -1,-0.2 0.429 65.9 71.7 -78.3 -12.3 -0.9 14.2 39.3 49 61 A R S S- 0 0 87 -3,-0.2 2,-2.3 -4,-0.0 -3,-0.0 -0.838 92.4-109.1-110.2 158.0 0.5 13.2 36.0 50 62 A E S S+ 0 0 193 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.389 70.4 139.2 -81.5 60.1 4.0 12.4 34.9 51 63 A L - 0 0 70 -2,-2.3 2,-0.6 -4,-0.1 -31,-0.0 -0.594 60.3-110.6-102.7 164.0 4.4 15.6 33.0 52 64 A T - 0 0 75 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.893 45.7-170.9 -94.1 123.0 7.4 18.0 32.7 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.800 18.2-177.5-117.7 161.0 6.6 21.2 34.6 54 65AA R E -JM 19 73C 52 -35,-2.4 -35,-3.1 -2,-0.3 2,-0.4 -0.972 19.9-132.5-149.2 156.3 8.0 24.7 35.2 55 66 A V E -JM 18 72C 0 17,-3.2 17,-2.8 -2,-0.3 2,-0.5 -0.899 9.2-157.3-114.7 139.3 6.9 27.6 37.3 56 67 A V E -JM 17 71C 0 -39,-2.1 -39,-1.9 -2,-0.4 3,-0.3 -0.981 13.2-173.7-118.1 116.6 6.7 31.2 36.1 57 68 A V E + M 0 70C 2 13,-2.4 13,-1.8 -2,-0.5 52,-0.1 -0.771 67.0 32.4-105.5 153.9 6.9 33.9 38.8 58 69 A G S S+ 0 0 6 50,-0.5 10,-0.3 -43,-0.5 2,-0.2 0.748 86.3 151.3 72.9 25.6 6.4 37.6 38.1 59 70 A E + 0 0 20 -44,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.621 18.7 150.5 -94.2 143.4 3.9 36.9 35.4 60 71 A H S S+ 0 0 9 1,-0.3 85,-1.8 -2,-0.2 2,-0.6 0.487 70.8 41.4-133.0 -49.8 1.0 39.1 34.3 61 72 A N B -O 144 0D 19 3,-0.2 -1,-0.3 83,-0.2 83,-0.3 -0.925 65.5-156.8-110.5 111.9 0.4 38.5 30.6 62 73 A L S S+ 0 0 36 81,-3.5 -1,-0.1 -2,-0.6 82,-0.1 0.810 92.5 34.2 -54.2 -36.1 0.6 34.8 29.6 63 74 A N S S+ 0 0 110 80,-0.4 2,-0.2 2,-0.0 -1,-0.2 0.866 111.1 59.7 -90.8 -41.8 1.3 35.7 25.9 64 75 A Q S S- 0 0 130 79,-0.2 2,-0.7 1,-0.0 -3,-0.2 -0.564 85.0-115.3 -88.1 154.5 3.4 38.9 26.0 65 76 A N - 0 0 116 -2,-0.2 -3,-0.1 1,-0.1 -6,-0.0 -0.810 25.7-170.5 -90.6 118.7 6.7 39.2 27.8 66 77 A N - 0 0 34 -2,-0.7 -1,-0.1 -5,-0.2 -4,-0.0 0.655 37.6-120.3 -81.5 -18.6 6.3 41.7 30.6 67 78 A G S S+ 0 0 62 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.520 98.2 81.0 88.5 8.3 10.0 42.0 31.4 68 79 A T + 0 0 25 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.477 62.9 115.7-122.6 -7.8 9.4 40.8 35.0 69 80 A E - 0 0 25 -13,-0.1 2,-0.4 1,-0.0 -11,-0.2 -0.170 41.6-164.6 -71.1 155.3 9.2 37.0 34.7 70 81 A Q E -M 57 0C 40 -13,-1.8 -13,-2.4 2,-0.0 2,-0.6 -0.976 10.9-153.6-138.4 122.1 11.4 34.3 36.1 71 82 A Y E +M 56 0C 108 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.902 20.1 174.8-102.8 119.5 11.2 30.8 34.6 72 83 A V E -M 55 0C 8 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.958 24.6-128.0-128.5 140.9 12.2 28.0 37.0 73 84 A G E -M 54 0C 29 -2,-0.4 27,-3.4 -19,-0.2 2,-0.7 -0.464 27.0-111.4 -83.1 159.4 12.1 24.2 36.7 74 85 A V E -N 99 0C 32 -21,-1.3 25,-0.2 25,-0.3 -21,-0.2 -0.823 28.0-176.5 -94.9 113.4 10.5 21.9 39.2 75 86 A Q E + 0 0 115 23,-2.0 2,-0.3 -2,-0.7 24,-0.2 0.933 67.4 3.9 -74.5 -49.4 13.0 19.8 41.0 76 87 A K E -N 98 0C 71 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.994 57.8-148.4-142.8 150.3 10.6 17.6 43.2 77 88 A I E -N 97 0C 67 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.961 8.5-171.5-120.8 118.4 6.9 17.1 43.7 78 89 A V E -N 96 0C 29 18,-2.9 18,-2.5 -2,-0.5 2,-0.3 -0.902 8.3-171.8-113.2 103.0 5.4 16.2 47.1 79 90 A V E -N 95 0C 40 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.649 40.8 -91.8 -87.6 149.6 1.7 15.3 46.8 80 91 A H > - 0 0 22 14,-2.1 3,-2.0 12,-0.4 -1,-0.1 -0.474 34.4-129.6 -63.0 133.5 -0.2 14.8 50.1 81 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.713 106.1 53.4 -56.9 -27.3 -0.1 11.0 50.9 82 93 A Y T 3 S+ 0 0 170 10,-0.1 2,-0.2 2,-0.1 11,-0.1 0.397 80.3 119.9 -89.3 0.2 -3.9 10.8 51.4 83 94 A W < - 0 0 24 -3,-2.0 2,-0.6 9,-0.2 9,-0.1 -0.467 51.3-155.2 -66.5 132.9 -4.6 12.3 48.0 84 95 A N - 0 0 85 3,-0.5 6,-0.2 7,-0.4 7,-0.1 -0.942 15.7-132.0-116.9 112.1 -6.6 10.0 45.8 85 96 A T S S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 -37,-0.1 0.718 102.0 34.7 -27.4 -57.3 -6.2 10.6 42.1 86 97 A D S S+ 0 0 150 1,-0.1 2,-0.7 -3,-0.1 -1,-0.2 0.999 102.3 84.6 -64.3 -64.5 -9.9 10.5 41.1 87 98 A D + 0 0 68 1,-0.2 -3,-0.5 2,-0.1 4,-0.4 -0.205 28.1 153.0 -51.2 91.9 -11.3 12.1 44.3 88 99 A V S > S+ 0 0 41 -2,-0.7 3,-0.9 1,-0.2 5,-0.2 0.856 83.7 58.0 -83.2 -28.2 -11.4 15.9 44.5 89 99AA A T 3 S+ 0 0 26 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.740 94.8 62.6 -71.9 -25.7 -14.3 15.4 46.8 90 99BA A T 3 S- 0 0 42 1,-0.2 -1,-0.2 -6,-0.2 2,-0.2 0.694 102.7-137.2 -73.7 -19.7 -12.4 13.3 49.3 91 100 A G S < S+ 0 0 3 -3,-0.9 -7,-0.4 -4,-0.4 -1,-0.2 -0.604 70.1 110.8 100.8-164.1 -10.0 16.2 50.1 92 101 A Y + 0 0 82 -2,-0.2 2,-2.2 1,-0.2 -12,-0.4 0.666 40.1 159.4 61.1 22.7 -6.3 16.4 50.5 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 -1,-0.2 -0.481 32.9 106.4 -78.3 78.5 -6.0 18.3 47.3 94 103 A I + 0 0 0 -2,-2.2 -14,-2.1 -51,-0.3 2,-0.3 -0.991 36.8 171.0-157.5 145.3 -2.6 19.8 48.0 95 104 A A E -LN 42 79C 0 -53,-2.0 -53,-2.3 -2,-0.3 2,-0.4 -0.973 20.9-138.4-152.7 156.5 1.0 19.4 46.9 96 105 A L E -LN 41 78C 0 -18,-2.5 -18,-2.9 -2,-0.3 2,-0.5 -0.968 11.8-155.0-122.8 141.3 4.3 21.2 47.3 97 106 A L E -LN 40 77C 0 -57,-2.8 -57,-2.3 -2,-0.4 2,-0.6 -0.967 7.1-148.3-120.8 121.0 6.9 21.8 44.5 98 107 A R E -LN 39 76C 60 -22,-2.6 -23,-2.0 -2,-0.5 -22,-1.5 -0.783 25.0-133.3 -85.8 125.5 10.6 22.3 45.2 99 108 A L E - 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