==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 17-SEP-87 3EST . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR E.F.MEYER,G.COLE,R.RADHAKRISHNAN,O.EPP . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 63.8 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 . 4 1.7 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 . 20 8.3 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 . 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,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.0 -11.5 33.8 36.0 2 17 A V B 3 +A 182 0A 11 180,-3.0 180,-1.7 1,-0.2 134,-0.1 -0.718 360.0 9.3 -87.3 133.2 -15.0 34.5 34.8 3 18 A G T 3 S+ 0 0 42 132,-0.7 -1,-0.2 -2,-0.3 178,-0.1 0.688 98.8 133.2 74.3 21.3 -16.2 38.1 35.4 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 178,-0.1 144,-0.2 -0.198 47.7-132.9 -87.6-166.3 -12.8 39.4 36.5 5 20 A T E -B 147 0B 89 142,-2.1 142,-3.1 -2,-0.1 2,-0.2 -0.896 39.2 -81.6-144.4 154.1 -10.8 42.5 35.5 6 21 A E E -B 146 0B 110 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.368 47.6-129.2 -58.1 130.5 -7.1 42.8 34.6 7 22 A A - 0 0 4 138,-2.9 2,-0.1 -2,-0.2 138,-0.1 -0.485 21.3-109.0 -70.1 154.5 -4.8 42.8 37.6 8 23 A Q > - 0 0 130 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.486 36.3-109.1 -77.7 154.2 -2.2 45.5 38.0 9 24 A R T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.695 113.8 34.6 -50.9 -45.7 1.5 44.1 37.5 10 25 A N T 3 S+ 0 0 85 1,-0.1 -1,-0.3 99,-0.0 99,-0.1 -0.175 93.7 99.1 -98.9 18.3 2.8 44.2 41.1 11 26 A S S < S+ 0 0 39 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.910 92.6 18.7 -81.2 -42.2 -0.6 43.4 42.6 12 27 A W > + 0 0 29 -4,-0.5 3,-2.1 1,-0.1 -1,-0.2 -0.613 66.9 167.3-129.9 70.0 -0.2 39.7 43.3 13 28 A P T 3 S+ 0 0 35 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.503 71.6 61.6 -78.6 1.4 3.5 38.8 43.3 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.543 79.4 110.7 -93.2 -10.1 3.2 35.4 44.8 15 30 A Q E < -I 33 0C 6 -3,-2.1 43,-0.4 18,-0.2 44,-0.4 -0.486 49.6-169.6 -64.3 129.6 1.1 34.2 41.8 16 31 A I E -I 32 0C 0 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.904 21.7-131.9-116.9 158.6 2.8 31.6 39.6 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.5 -0.952 18.0-153.0-106.0 119.5 2.0 30.1 36.2 18 33 A L E +IJ 30 55C 0 12,-3.7 11,-3.2 -2,-0.5 12,-1.9 -0.865 24.5 179.0 -93.7 111.3 2.4 26.3 36.1 19 34 A Q E -IJ 28 54C 11 35,-2.5 35,-2.7 -2,-0.5 2,-0.3 -0.934 17.4-152.1-118.1 155.4 3.2 25.2 32.5 20 35 A Y E -IJ 27 53C 66 7,-2.2 7,-2.3 -2,-0.3 2,-0.4 -0.862 30.8 -99.7-128.3 150.2 4.0 22.0 30.7 21 36 A R E -I 26 0C 127 31,-1.9 2,-0.5 -2,-0.3 31,-0.4 -0.683 34.2-175.8 -77.5 121.4 6.1 21.1 27.6 22 36AA S E > -I 25 0C 55 3,-3.3 3,-1.4 -2,-0.4 2,-0.4 -0.945 64.9 -57.7-122.1 79.0 3.8 20.7 24.7 23 36BA G T 3 S- 0 0 63 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.572 120.0 -22.9 82.6-112.2 6.1 19.6 21.8 24 36CA S T 3 S+ 0 0 124 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.3 -0.084 133.1 76.4-107.6 17.0 8.6 22.3 21.6 25 37 A S E < S-I 22 0C 73 -3,-1.4 -3,-3.3 2,-0.0 2,-0.4 -0.800 72.3-131.3-125.1 171.5 6.3 24.7 23.2 26 38 A W E -I 21 0C 87 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.989 17.9-161.8-126.0 134.8 5.0 25.4 26.8 27 39 A A E -I 20 0C 31 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.1 -0.974 22.9-117.9-115.3 142.8 1.4 25.8 27.8 28 40 A H E +I 19 0C 17 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.399 40.0 162.1 -71.0 132.9 -0.1 27.3 30.9 29 41 A T E - 0 0 43 -11,-3.2 157,-0.4 1,-0.5 2,-0.3 0.653 54.4 -0.1-120.8 -32.7 -2.0 24.7 32.8 30 42 A a E -I 18 0C 6 -12,-1.9 -12,-3.7 157,-0.1 -1,-0.5 -0.971 58.7-114.6-152.6 159.1 -2.5 25.9 36.4 31 43 A G E +I 17 0C 1 157,-1.9 12,-0.3 -2,-0.3 2,-0.3 -0.260 31.8 176.9 -81.3 176.1 -1.8 28.6 39.0 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.2 10,-0.1 2,-0.4 -0.946 25.7-119.7-160.1 174.1 0.3 28.1 42.1 33 45 A T E -IK 15 41C 0 8,-2.7 8,-2.9 -2,-0.3 2,-0.6 -0.978 21.3-127.0-123.8 134.8 1.5 30.2 45.0 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.5 -2,-0.4 6,-0.2 -0.668 35.6 165.7 -74.5 112.6 5.2 30.9 45.8 35 47 A I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.708 65.7 10.4-114.2 -12.4 5.7 29.9 49.4 36 48 A R E > S- K 0 39C 97 3,-1.8 3,-0.9 74,-0.1 -1,-0.3 -0.861 89.4 -96.3-150.0 169.1 9.5 29.7 49.7 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.3 1,-0.2 64,-0.1 0.822 129.2 26.1 -66.1 -15.7 12.2 30.8 47.3 38 50 A N T 3 S+ 0 0 30 64,-0.2 61,-2.9 62,-0.1 2,-0.4 0.173 111.4 80.6-129.4 16.8 12.3 27.2 46.1 39 51 A W E < -KL 36 98C 4 -3,-0.9 -4,-2.5 59,-0.2 -3,-1.8 -1.000 49.6-170.4-131.6 136.3 8.8 25.9 46.9 40 52 A V E -KL 34 97C 0 57,-1.9 57,-2.8 -2,-0.4 2,-0.4 -0.938 11.8-149.5-121.4 133.3 5.4 26.2 45.1 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.2 -0.916 34.3 143.7-103.9 127.4 2.0 25.3 46.5 42 54 A T E - L 0 95C 0 53,-2.8 53,-2.5 -2,-0.4 2,-0.4 -0.816 53.0 -71.4-142.6-169.9 -0.6 24.1 43.8 43 55 A A > - 0 0 0 -12,-0.3 3,-1.3 51,-0.3 4,-0.5 -0.726 34.2-131.5 -91.6 141.1 -3.4 21.6 43.5 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.1 0.864 105.2 63.7 -56.4 -34.7 -2.5 17.9 43.2 45 57 A H G > S+ 0 0 57 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.802 93.0 64.7 -73.9 -8.8 -4.8 17.4 40.2 46 58 A a G < S+ 0 0 12 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.715 109.6 37.8 -73.9 -27.3 -2.6 19.9 38.3 47 59 A V G < S+ 0 0 13 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.155 80.5 111.1-115.7 25.5 0.3 17.5 38.5 48 60 A D < + 0 0 58 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.1 0.712 68.9 72.5 -62.5 -30.3 -1.7 14.2 38.0 49 61 A R S S- 0 0 188 -4,-0.2 2,-1.7 -3,-0.2 0, 0.0 -0.732 89.0-120.5 -91.6 143.0 -0.0 13.7 34.6 50 62 A E + 0 0 169 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.626 63.9 136.9 -82.6 76.2 3.5 12.7 34.0 51 63 A L - 0 0 67 -2,-1.7 2,-0.6 -4,-0.1 -29,-0.1 -0.724 63.5 -99.2-114.0 174.3 4.4 15.8 32.0 52 64 A T - 0 0 71 -31,-0.4 -31,-1.9 -2,-0.2 2,-0.3 -0.858 49.2-165.1-101.6 118.0 7.5 18.0 32.1 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.850 16.2-179.0 -99.9 159.5 6.6 21.1 34.2 54 65AA R E -JM 19 73C 52 -35,-2.7 -35,-2.5 -2,-0.3 2,-0.4 -0.923 19.3-132.0-149.5 160.1 8.1 24.5 34.8 55 66 A V E -JM 18 72C 0 17,-2.7 17,-2.8 -2,-0.3 2,-0.5 -0.968 9.8-159.5-113.7 134.0 7.2 27.6 36.9 56 67 A V E -JM 17 71C 0 -39,-2.4 -39,-2.1 -2,-0.4 3,-0.3 -0.983 11.1-172.5-110.5 124.2 7.0 31.1 35.8 57 68 A V E + M 0 70C 2 13,-2.4 13,-2.4 -2,-0.5 52,-0.1 -0.731 68.4 27.3-112.9 153.8 7.3 33.9 38.5 58 69 A G S S+ 0 0 7 50,-0.5 10,-0.3 -43,-0.4 2,-0.2 0.771 87.1 152.8 63.8 32.6 6.8 37.6 37.9 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.585 16.8 152.6 -97.8 145.9 4.5 36.8 35.0 60 71 A H + 0 0 8 1,-0.3 85,-1.3 4,-0.2 2,-0.6 0.359 68.4 35.5-134.3 -58.2 1.7 39.1 33.8 61 72 A N B > -O 144 0D 15 3,-0.3 3,-1.4 83,-0.2 -1,-0.3 -0.930 65.5-155.4-106.4 112.0 1.0 38.6 30.0 62 73 A L T 3 S+ 0 0 34 81,-3.4 -1,-0.1 -2,-0.6 82,-0.1 0.672 91.6 45.0 -58.9 -22.9 1.4 35.0 28.9 63 74 A N T 3 S+ 0 0 112 80,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.367 109.3 54.9 -96.9 -10.5 2.1 35.9 25.3 64 75 A Q S < S- 0 0 119 -3,-1.4 2,-0.5 79,-0.2 -3,-0.3 -0.996 84.5 -99.8-132.5 148.9 4.5 38.8 25.7 65 76 A N - 0 0 135 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.0 -0.423 32.9-179.5 -67.2 119.8 7.8 39.7 27.3 66 77 A N - 0 0 26 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.626 38.7-126.3 -87.3 -17.5 7.1 41.6 30.5 67 78 A G S S+ 0 0 60 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.417 97.2 76.1 78.3 5.6 10.7 42.2 31.4 68 79 A T + 0 0 23 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.446 63.5 121.4-122.2 -13.5 9.9 40.6 34.9 69 80 A E - 0 0 29 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.348 36.9-169.5 -59.7 141.7 9.7 36.9 34.3 70 81 A Q E -M 57 0C 44 -13,-2.4 -13,-2.4 -2,-0.1 2,-0.5 -0.999 10.0-156.3-124.5 133.1 11.8 34.2 35.9 71 82 A Y E +M 56 0C 116 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.909 18.3 170.4-114.5 120.6 11.6 30.6 34.5 72 83 A V E -M 55 0C 9 -17,-2.8 -17,-2.7 -2,-0.5 -2,-0.0 -0.999 26.2-126.5-129.2 143.5 12.5 27.7 36.7 73 84 A G E -M 54 0C 30 -2,-0.4 27,-2.5 -19,-0.2 2,-0.5 -0.191 27.0-110.7 -80.8 170.4 12.2 23.9 36.3 74 85 A V E +N 99 0C 34 -21,-1.2 25,-0.2 25,-0.2 -21,-0.1 -0.887 30.0 179.1-103.6 116.7 10.5 21.5 38.8 75 86 A Q E + 0 0 111 23,-3.0 2,-0.3 -2,-0.5 24,-0.2 0.771 66.2 10.0 -85.6 -34.6 12.8 19.2 40.7 76 87 A K E -N 98 0C 97 22,-1.5 22,-3.0 2,-0.0 2,-0.5 -0.996 59.6-151.7-151.3 135.3 10.5 17.2 43.0 77 88 A I E -N 97 0C 75 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.988 9.2-171.5-116.4 122.4 6.7 16.8 43.2 78 89 A V E -N 96 0C 28 18,-2.8 18,-2.3 -2,-0.5 2,-0.2 -0.925 6.8-173.0-113.5 104.1 5.1 16.0 46.6 79 90 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.666 41.7 -89.2 -93.3 149.0 1.4 15.3 46.3 80 91 A H > - 0 0 22 14,-1.9 3,-2.0 12,-0.3 -1,-0.1 -0.463 37.0-129.1 -53.8 123.6 -0.7 14.8 49.5 81 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.722 107.5 49.7 -48.7 -27.1 -0.5 11.0 50.3 82 93 A Y T 3 S+ 0 0 159 10,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.347 79.0 123.0 -93.0 -7.3 -4.2 10.8 50.6 83 94 A W < - 0 0 28 -3,-2.0 2,-0.5 11,-0.1 9,-0.1 -0.496 43.8-162.2 -55.7 131.0 -5.1 12.6 47.2 84 95 A N > - 0 0 76 7,-0.5 3,-2.5 3,-0.3 6,-0.2 -0.926 13.5-153.7-122.9 110.7 -7.3 10.4 45.0 85 96 A T T 3 S+ 0 0 82 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.718 96.8 50.8 -43.7 -34.3 -7.4 11.3 41.3 86 97 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.453 112.2 48.0 -85.3 -6.5 -10.9 9.6 41.0 87 98 A D X + 0 0 74 -3,-2.5 3,-2.5 4,-0.1 4,-0.4 -0.401 53.4 158.3-137.6 67.2 -12.4 11.5 44.0 88 99 A V G > S+ 0 0 47 -3,-0.4 3,-1.7 1,-0.3 5,-0.2 0.844 80.2 63.0 -54.6 -27.1 -11.6 15.3 43.9 89 99AA A G 3 S+ 0 0 20 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.726 87.1 68.2 -79.3 -12.0 -14.6 15.7 46.2 90 99BA A G < S- 0 0 37 -3,-2.5 -1,-0.3 1,-0.3 2,-0.3 0.649 103.2-144.2 -69.5 -16.4 -12.8 13.6 48.9 91 100 A G < + 0 0 2 -3,-1.7 -7,-0.5 -4,-0.4 -1,-0.3 -0.655 64.2 124.6 85.4-154.4 -10.5 16.7 49.1 92 101 A Y + 0 0 76 -2,-0.3 2,-2.0 1,-0.2 -12,-0.3 0.701 34.3 160.5 58.0 36.5 -6.7 16.7 49.7 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.493 31.4 112.0 -87.4 78.3 -6.3 18.6 46.5 94 103 A I + 0 0 0 -2,-2.0 -14,-1.9 -51,-0.3 2,-0.3 -0.997 36.5 174.5-154.6 139.0 -2.8 19.9 47.3 95 104 A A E -LN 42 79C 0 -53,-2.5 -53,-2.8 -2,-0.3 2,-0.4 -0.979 19.2-143.6-147.1 151.7 0.8 19.5 46.1 96 105 A L E -LN 41 78C 0 -18,-2.3 -18,-2.8 -2,-0.3 2,-0.5 -0.947 14.4-158.9-118.3 124.2 4.2 21.1 46.9 97 106 A L E -LN 40 77C 0 -57,-2.8 -57,-1.9 -2,-0.4 2,-0.5 -0.945 6.6-149.9-110.4 122.1 6.8 21.6 44.1 98 107 A R E -LN 39 76C 62 -22,-3.0 -23,-3.0 -2,-0.5 -22,-1.5 -0.837 23.6-131.0 -97.1 123.3 10.4 21.9 44.9 99 108 A L E - 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