==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 14-JAN-91 9EST . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.RADHAKRISHNAN,J.C.POWERS,E.F.MEYER JR. . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10949.0 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 . 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.7 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 . 5 3 1 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 0.000 360.0 360.0 360.0 123.1 -11.2 33.7 36.1 2 17 A V B 3 +A 182 0A 8 180,-3.2 180,-1.4 1,-0.2 134,-0.2 -0.760 360.0 1.3 -91.3 132.9 -14.8 34.4 34.9 3 18 A G T 3 S+ 0 0 48 132,-0.8 -1,-0.2 -2,-0.4 2,-0.2 0.929 99.1 140.0 58.2 49.5 -16.0 38.0 35.2 4 19 A G < - 0 0 24 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.546 48.4-117.6-112.4-178.7 -12.8 39.4 36.6 5 20 A T E -B 147 0B 88 142,-3.4 142,-2.5 -2,-0.2 2,-0.1 -0.916 36.0 -94.7-121.2 148.3 -10.7 42.5 36.2 6 21 A E E -B 146 0B 121 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.389 47.5-127.5 -59.9 131.7 -7.2 42.8 34.9 7 22 A A - 0 0 1 138,-3.3 138,-0.1 53,-0.1 -1,-0.1 -0.596 20.1-102.1 -87.5 146.9 -4.8 42.9 37.8 8 23 A Q > - 0 0 137 -2,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.340 35.6-112.7 -62.6 144.2 -2.2 45.5 38.5 9 24 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.668 112.3 28.6 -52.0 -26.6 1.3 44.4 37.6 10 25 A N T 3 S+ 0 0 91 1,-0.1 -1,-0.3 50,-0.0 -2,-0.0 0.207 90.2 99.0-125.6 16.8 2.5 44.3 41.3 11 26 A S S < S+ 0 0 45 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.887 93.5 26.8 -70.5 -44.0 -0.6 43.5 43.3 12 27 A W > + 0 0 30 -4,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.620 63.1 164.7-125.6 74.0 -0.1 39.7 43.7 13 28 A P T 3 S+ 0 0 34 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.571 73.4 64.5 -65.7 -12.1 3.7 39.0 43.6 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.3 97,-0.1 98,-0.2 0.641 78.7 106.1 -87.9 -13.9 3.2 35.5 45.1 15 30 A Q E < -I 33 0C 6 -3,-1.5 43,-0.5 18,-0.2 44,-0.4 -0.395 50.2-173.4 -67.5 138.1 1.2 34.3 42.1 16 31 A I E -I 32 0C 2 16,-1.8 16,-0.7 41,-0.1 2,-0.5 -0.946 23.1-128.4-133.2 154.6 3.0 31.9 39.8 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.5 -2,-0.3 2,-0.6 -0.901 18.1-153.3-103.4 125.2 2.3 30.3 36.5 18 33 A L E +IJ 30 55C 1 12,-3.4 11,-3.3 -2,-0.5 12,-1.8 -0.898 23.7 176.3 -99.6 119.1 2.7 26.5 36.3 19 34 A Q E -IJ 28 54C 10 35,-2.8 35,-2.3 -2,-0.6 2,-0.4 -0.868 19.4-150.8-125.3 160.6 3.5 25.3 32.8 20 35 A Y E -IJ 27 53C 66 7,-1.7 7,-1.3 -2,-0.3 33,-0.2 -0.987 32.8 -99.0-133.1 140.7 4.4 22.1 31.0 21 36 A R E -I 26 0C 129 31,-1.7 2,-0.5 -2,-0.4 31,-0.3 -0.343 37.2-171.2 -57.7 123.0 6.5 21.4 28.0 22 36AA S E > -I 25 0C 49 3,-4.9 3,-1.6 -2,-0.1 2,-0.9 -0.878 57.1 -63.0-124.0 96.8 4.3 21.0 25.0 23 36BA G T 3 S- 0 0 67 -2,-0.5 -2,-0.0 1,-0.3 3,-0.0 -0.529 122.6 -14.5 67.2-103.9 6.1 19.8 22.0 24 36CA S T 3 S+ 0 0 130 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.3 0.063 133.0 51.4-117.3 20.8 8.5 22.6 21.4 25 37 A S E < S-I 22 0C 62 -3,-1.6 -3,-4.9 -5,-0.1 2,-0.3 -0.959 76.8-110.4-150.6 167.0 6.9 25.2 23.6 26 38 A W E -I 21 0C 87 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.753 26.1-163.7-103.1 150.1 5.5 25.7 27.1 27 39 A A E -I 20 0C 33 -7,-1.3 -7,-1.7 -2,-0.3 2,-0.0 -0.996 25.0-112.0-138.5 132.5 1.8 26.1 28.0 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.346 42.1 159.2 -60.1 134.4 0.2 27.5 31.1 29 41 A T E + 0 0 44 -11,-3.3 2,-0.3 1,-0.5 159,-0.2 0.650 55.7 0.2-124.1 -44.0 -1.7 24.8 33.0 30 42 A a E -I 18 0C 7 -12,-1.8 -12,-3.4 157,-0.1 -1,-0.5 -0.954 58.7-118.8-144.6 168.4 -2.2 25.9 36.6 31 43 A G E +I 17 0C 1 157,-2.0 12,-0.4 -2,-0.3 2,-0.3 -0.337 33.0 171.1 -95.8-179.5 -1.7 28.6 39.0 32 44 A G E -I 16 0C 0 -16,-0.7 -16,-1.8 10,-0.1 2,-0.4 -0.970 27.1-111.7-176.6 173.9 0.3 28.3 42.3 33 45 A T E -IK 15 41C 0 8,-2.8 8,-3.2 -2,-0.3 2,-0.8 -0.989 19.2-130.4-130.9 130.8 1.8 30.2 45.2 34 46 A L E + K 0 40C 0 -20,-2.3 78,-3.2 -2,-0.4 6,-0.2 -0.663 36.3 161.0 -77.2 109.3 5.3 30.9 46.0 35 47 A I + 0 0 2 4,-1.7 2,-0.3 -2,-0.8 5,-0.2 0.667 67.2 21.7-101.1 -23.4 5.6 29.9 49.7 36 48 A R S S- 0 0 92 3,-2.5 3,-0.4 -3,-0.2 -1,-0.2 -0.923 84.8-106.0-139.0 161.4 9.4 29.6 49.7 37 49 A Q S S+ 0 0 85 -2,-0.3 66,-2.4 1,-0.2 64,-0.1 0.775 127.8 19.6 -59.1 -24.8 12.2 30.9 47.6 38 50 A N S S+ 0 0 37 64,-0.2 61,-4.2 62,-0.1 2,-0.4 0.224 116.7 81.3-127.6 9.8 12.5 27.4 46.3 39 51 A W E - L 0 98C 4 -3,-0.4 -3,-2.5 59,-0.2 -4,-1.7 -0.975 50.4-174.0-126.1 135.1 9.0 26.0 47.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.9 -2,-0.4 2,-0.5 -0.933 13.7-145.8-122.8 144.1 5.7 26.5 45.4 41 53 A M E +KL 33 96C 0 -8,-3.2 -8,-2.8 -2,-0.4 2,-0.2 -0.939 33.6 142.9-113.1 130.1 2.3 25.4 46.5 42 54 A T E - L 0 95C 1 53,-2.6 53,-2.7 -2,-0.5 2,-0.3 -0.785 51.2 -62.2-146.3-170.4 -0.3 24.2 44.0 43 55 A A >> - 0 0 0 -12,-0.4 3,-1.6 51,-0.3 4,-0.6 -0.696 34.6-136.9 -88.1 136.6 -3.1 21.7 43.4 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.922 105.5 59.6 -54.9 -47.4 -2.3 18.0 43.4 45 57 A H G >4 S+ 0 0 66 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.661 93.4 69.1 -57.9 -15.4 -4.5 17.4 40.4 46 58 A a G <4 S+ 0 0 11 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.835 105.6 37.7 -71.0 -36.1 -2.2 19.9 38.6 47 59 A V G << S+ 0 0 13 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 -0.182 81.8 109.0-110.6 38.5 0.7 17.5 38.6 48 60 A D < + 0 0 56 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.1 0.886 67.3 70.5 -79.0 -40.3 -1.2 14.2 38.1 49 61 A R S S- 0 0 196 -4,-0.3 2,-1.3 -3,-0.2 0, 0.0 -0.398 91.6-117.7 -74.7 152.8 0.1 13.8 34.5 50 62 A E + 0 0 191 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.617 64.3 131.0 -95.7 76.4 3.8 13.0 34.0 51 63 A L - 0 0 78 -2,-1.3 2,-0.5 -29,-0.0 -29,-0.1 -0.686 64.7 -90.6-118.2 172.9 4.9 16.0 32.2 52 64 A T - 0 0 65 -31,-0.3 -31,-1.7 -2,-0.2 2,-0.3 -0.764 46.8-160.9 -88.3 125.6 7.8 18.4 32.4 53 65 A F E -J 20 0C 10 -2,-0.5 21,-1.7 -33,-0.2 2,-0.3 -0.853 14.6-179.9-113.7 150.0 6.9 21.4 34.6 54 65AA R E -JM 19 73C 52 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.987 19.5-135.3-143.3 146.6 8.3 24.8 35.0 55 66 A V E -JM 18 72C 0 17,-3.6 17,-2.6 -2,-0.3 2,-0.6 -0.880 9.9-157.5-108.2 135.7 7.4 27.7 37.2 56 67 A V E -JM 17 71C 0 -39,-2.5 -39,-2.0 -2,-0.4 3,-0.4 -0.942 12.2-173.9-115.5 111.9 7.2 31.3 36.0 57 68 A V E + M 0 70C 2 13,-2.5 13,-2.4 -2,-0.6 52,-0.1 -0.718 67.2 28.0-101.0 156.0 7.5 34.0 38.6 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.5 10,-0.2 0.771 86.3 154.2 67.2 25.4 7.0 37.8 38.1 59 70 A E + 0 0 17 -3,-0.4 -1,-0.3 -44,-0.4 3,-0.1 -0.706 16.9 150.9 -89.8 138.0 4.7 36.9 35.3 60 71 A H + 0 0 8 -2,-0.4 85,-1.4 1,-0.3 2,-0.6 0.575 69.9 36.7-125.1 -56.8 2.0 39.3 34.2 61 72 A N B > -O 144 0D 17 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.918 64.1-157.5-107.0 118.1 1.3 38.7 30.5 62 73 A L T 3 S+ 0 0 37 81,-3.0 -1,-0.2 -2,-0.6 82,-0.1 0.900 93.8 39.4 -57.9 -45.9 1.5 35.1 29.4 63 74 A N T 3 S+ 0 0 119 80,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.238 113.4 62.3 -92.8 13.5 2.2 36.0 25.7 64 75 A Q S < S- 0 0 126 -3,-1.0 2,-0.5 79,-0.2 -3,-0.3 -0.996 82.7-111.8-143.3 146.2 4.5 38.9 26.3 65 76 A N - 0 0 130 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.628 27.2-177.9 -75.5 121.1 7.8 39.7 27.8 66 77 A N - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.489 39.7-124.1 -96.9 -9.0 7.2 41.8 30.9 67 78 A G S S+ 0 0 61 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.731 99.3 76.7 69.6 23.4 10.8 42.2 31.8 68 79 A T + 0 0 21 -10,-0.2 -9,-0.1 -11,-0.1 40,-0.1 0.421 62.4 123.6-136.1 -11.2 10.1 40.7 35.2 69 80 A E - 0 0 26 -13,-0.1 2,-0.4 1,-0.0 -11,-0.2 -0.229 37.8-167.0 -62.5 143.2 9.8 36.9 34.5 70 81 A Q E -M 57 0C 44 -13,-2.4 -13,-2.5 2,-0.0 2,-0.6 -0.986 9.4-153.5-131.8 116.8 11.9 34.3 36.2 71 82 A Y E +M 56 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.860 19.2 170.9-100.4 119.4 11.9 30.8 34.8 72 83 A V E -M 55 0C 8 -17,-2.6 -17,-3.6 -2,-0.6 2,-0.1 -0.980 24.6-133.7-128.1 138.3 12.6 27.9 37.1 73 84 A G E -M 54 0C 34 -2,-0.4 27,-2.7 -19,-0.3 2,-0.5 -0.437 28.0-107.5 -84.5 158.7 12.3 24.2 36.5 74 85 A V E +N 99 0C 33 -21,-1.7 25,-0.2 25,-0.2 -21,-0.2 -0.773 32.1 178.1 -90.3 125.1 10.7 21.8 39.0 75 86 A Q E + 0 0 108 23,-3.0 2,-0.4 -2,-0.5 24,-0.2 0.837 66.8 12.9 -93.1 -39.5 13.1 19.5 40.9 76 87 A K E -N 98 0C 90 22,-1.6 22,-3.1 164,-0.0 2,-0.5 -0.985 59.5-153.3-147.1 133.2 10.9 17.5 43.2 77 88 A I E -N 97 0C 73 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.912 9.9-175.2-109.4 122.6 7.1 17.0 43.4 78 89 A V E -N 96 0C 27 18,-2.9 18,-2.3 -2,-0.5 2,-0.1 -0.803 7.7-174.5-121.5 92.6 5.5 16.2 46.7 79 90 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.354 40.4 -85.6 -77.8 160.5 1.8 15.4 46.5 80 91 A H > - 0 0 22 14,-1.6 3,-2.0 12,-0.4 -1,-0.1 -0.493 33.8-132.2 -69.2 131.2 -0.4 14.8 49.5 81 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.816 105.8 50.6 -52.6 -37.5 -0.2 11.2 50.6 82 93 A Y T 3 S+ 0 0 170 2,-0.0 2,-0.2 10,-0.0 -2,-0.1 0.454 84.5 121.5 -82.3 -3.2 -4.1 10.9 50.9 83 94 A W < - 0 0 28 -3,-2.0 2,-0.4 9,-0.2 9,-0.1 -0.417 39.5-174.5 -66.3 135.4 -4.6 12.4 47.4 84 95 A N > - 0 0 73 7,-0.4 3,-2.4 3,-0.3 6,-0.2 -0.959 23.1-145.1-138.2 117.0 -6.5 10.3 44.9 85 96 A T T 3 S+ 0 0 85 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.790 100.0 50.7 -41.6 -48.0 -7.0 11.2 41.2 86 97 A D T 3 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.455 108.5 55.7 -77.6 -2.8 -10.5 9.7 41.0 87 98 A D X + 0 0 76 -3,-2.4 3,-1.0 1,-0.1 4,-0.4 -0.558 48.4 150.4-134.9 76.3 -11.8 11.5 44.1 88 99 A V G > S+ 0 0 39 -3,-0.3 3,-1.4 1,-0.2 5,-0.2 0.861 77.9 61.5 -70.6 -34.3 -11.4 15.3 44.1 89 99AA A G 3 S+ 0 0 27 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.550 93.5 68.9 -68.1 -6.2 -14.5 15.7 46.3 90 99BA A G < S- 0 0 39 -3,-1.0 2,-0.3 1,-0.3 -1,-0.3 0.744 100.4-138.7 -82.9 -27.7 -12.5 13.7 48.8 91 100 A G < + 0 0 2 -3,-1.4 -7,-0.4 -4,-0.4 -1,-0.3 -0.726 67.8 116.9 106.9-156.7 -10.0 16.5 49.4 92 101 A Y + 0 0 76 -2,-0.3 2,-2.4 1,-0.2 -12,-0.4 0.691 38.5 157.8 59.7 21.7 -6.2 16.6 49.8 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.454 34.1 105.8 -77.6 72.3 -6.0 18.6 46.6 94 103 A I - 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