==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-JUL-03 1OKX . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR U.MATERN,C.SCHLEBERGER,S.JELAKOVIC,J.WECKESSER,G.E.SCHULZ . 494 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 64.8 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 . 162 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 4 0 0 0 0 2 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 . 10 4 4 12 2 2 0 2 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 2 0 2 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,-0.4 0.000 360.0 360.0 360.0 115.8 88.9 -23.1 14.5 2 17 A V B 3 +A 182 0A 9 180,-3.0 180,-1.5 1,-0.2 134,-0.2 -0.752 360.0 12.8 -94.4 138.1 88.9 -21.0 11.4 3 18 A G T 3 S+ 0 0 36 132,-0.9 146,-0.2 -2,-0.4 -1,-0.2 0.782 103.0 117.1 71.8 27.1 87.0 -22.2 8.3 4 19 A G < - 0 0 24 -3,-0.6 2,-0.3 131,-0.2 144,-0.2 -0.162 56.3-123.1-108.1-156.8 85.2 -24.9 10.2 5 20 A T E -B 147 0B 88 142,-2.2 142,-1.8 -2,-0.1 2,-0.4 -0.974 39.8 -82.1-148.0 156.3 81.7 -25.9 11.1 6 21 A E E -B 146 0B 98 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.474 54.9-123.8 -64.6 120.5 79.8 -26.6 14.3 7 22 A A - 0 0 2 138,-2.3 2,-0.4 -2,-0.4 3,-0.1 -0.224 31.8 -91.0 -62.5 154.9 80.7 -30.2 15.1 8 23 A Q > - 0 0 155 1,-0.1 3,-2.5 2,-0.1 4,-0.2 -0.581 65.3 -82.7 -69.4 121.7 77.9 -32.7 15.6 9 24 A R T 3 S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.3 51,-0.1 0.079 107.8 -9.9 -31.9 116.4 77.1 -32.6 19.3 10 25 A N T 3 S+ 0 0 25 49,-0.3 -1,-0.3 2,-0.1 50,-0.1 0.653 87.9 134.6 63.1 22.0 79.6 -34.8 21.2 11 26 A S S < S+ 0 0 47 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.490 77.0 46.5 -77.0 -3.2 81.0 -36.4 18.0 12 27 A W S > S+ 0 0 29 -4,-0.2 3,-2.7 96,-0.1 -1,-0.3 -0.533 74.1 172.0-134.1 63.2 84.5 -35.9 19.5 13 28 A P T 3 S+ 0 0 23 0, 0.0 97,-1.6 0, 0.0 45,-0.4 0.509 73.7 58.3 -53.6 -10.6 83.7 -37.3 23.1 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 2,-0.3 0.519 81.6 105.4 -98.2 -6.9 87.4 -37.1 24.1 15 30 A Q E < -J 33 0C 4 -3,-2.7 43,-0.5 18,-0.2 44,-0.4 -0.562 52.9-175.5 -73.3 132.5 87.6 -33.4 23.4 16 31 A I E -J 32 0C 1 16,-2.4 16,-1.2 -2,-0.3 2,-0.6 -0.906 25.2-124.1-130.6 159.8 87.6 -31.4 26.6 17 32 A S E -JK 31 56C 0 39,-1.7 39,-1.6 -2,-0.3 2,-0.7 -0.901 16.9-151.8-107.3 114.3 87.5 -27.7 27.6 18 33 A L E +JK 30 55C 1 12,-3.1 11,-2.7 -2,-0.6 12,-2.0 -0.747 25.4 177.2 -84.5 116.6 90.4 -26.5 29.8 19 34 A Q E -JK 28 54C 13 35,-2.8 35,-3.4 -2,-0.7 2,-0.3 -0.941 18.7-151.3-124.7 143.6 89.0 -23.6 31.8 20 35 A Y E -JK 27 53C 15 7,-2.2 7,-2.2 -2,-0.4 2,-0.4 -0.849 31.5-102.7-111.6 150.1 90.6 -21.4 34.5 21 36 A R E +J 26 0C 107 31,-2.7 2,-0.5 -2,-0.3 31,-0.4 -0.574 40.8 179.2 -74.3 122.2 88.8 -19.7 37.3 22 37 A S E > -J 25 0C 44 3,-2.4 3,-1.1 -2,-0.4 29,-0.0 -0.989 58.2 -45.5-125.8 118.5 88.4 -16.0 36.6 23 38 A G T 3 S- 0 0 70 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.337 120.4 -23.1 59.4-135.4 86.6 -14.0 39.1 24 39 A S T 3 S+ 0 0 108 -3,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.756 132.9 39.6 -80.1 -26.5 83.4 -15.7 40.3 25 40 A S E < S-J 22 0C 73 -3,-1.1 -3,-2.4 1,-0.0 2,-0.3 -0.365 85.6 -93.4-112.2-168.0 83.0 -17.9 37.1 26 41 A W E -J 21 0C 79 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.806 24.7-157.2-112.7 152.8 85.1 -19.9 34.7 27 42 A A E -J 20 0C 20 -7,-2.2 -7,-2.2 -2,-0.3 2,-0.2 -0.987 20.8-120.9-131.6 137.8 86.7 -19.0 31.4 28 43 A H E +J 19 0C 15 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.529 39.8 155.8 -74.0 138.5 87.7 -21.3 28.5 29 44 A T E + 0 0 0 -11,-2.7 2,-0.3 1,-0.5 159,-0.2 0.548 59.6 4.5-134.8 -27.8 91.4 -21.0 27.6 30 45 A a E -J 18 0C 0 -12,-2.0 -12,-3.1 157,-0.1 -1,-0.5 -0.958 58.6-122.8-155.0 170.4 92.4 -24.3 26.0 31 46 A G E +J 17 0C 1 157,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.547 29.7 178.9-108.5 176.0 91.2 -27.6 24.6 32 47 A G E -J 16 0C 0 -16,-1.2 -16,-2.4 -2,-0.2 2,-0.5 -0.985 27.7-111.8-169.3 169.9 92.4 -31.1 25.7 33 48 A T E -JL 15 41C 0 8,-3.1 8,-3.0 -2,-0.3 2,-0.3 -0.960 23.4-136.5-121.3 118.8 92.1 -34.8 25.2 34 49 A L E + L 0 40C 0 -20,-2.7 78,-2.9 -2,-0.5 6,-0.2 -0.557 31.7 165.6 -67.4 127.9 90.7 -37.0 27.9 35 50 A I E + 0 0 10 4,-3.0 2,-0.3 1,-0.4 5,-0.2 0.477 64.8 18.6-124.1 -6.2 93.0 -40.1 27.9 36 51 A R E > S- L 0 39C 105 3,-1.5 3,-1.8 74,-0.1 -1,-0.4 -0.954 87.9-100.7-157.0 151.3 92.0 -41.7 31.3 37 52 A Q T 3 S+ 0 0 103 -2,-0.3 66,-3.3 1,-0.3 64,-0.1 0.744 129.3 25.1 -47.6 -22.1 88.9 -41.2 33.5 38 53 A N T 3 S+ 0 0 48 64,-0.3 61,-3.2 1,-0.1 2,-0.4 0.210 111.7 78.7-129.9 13.9 91.3 -39.0 35.5 39 54 A W E < -LM 36 98C 4 -3,-1.8 -4,-3.0 59,-0.2 -3,-1.5 -0.987 49.4-171.7-132.0 132.1 93.9 -37.8 33.0 40 55 A V E -LM 34 97C 0 57,-2.0 57,-2.2 -2,-0.4 2,-0.4 -0.958 13.3-146.6-121.5 136.6 93.8 -35.1 30.4 41 56 A M E +LM 33 96C 0 -8,-3.0 -8,-3.1 -2,-0.4 2,-0.2 -0.859 35.8 140.9-101.3 133.8 96.4 -34.4 27.7 42 57 A T E - M 0 95C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.2 -0.844 51.4 -65.0-153.1-172.9 96.9 -30.8 26.7 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.612 35.6-130.6 -87.4 145.8 99.6 -28.2 25.7 44 59 A A H >> S+ 0 0 0 1,-0.3 3,-2.6 -2,-0.2 4,-0.6 0.947 105.6 57.7 -59.0 -51.4 102.3 -27.1 28.2 45 60 A H H 34 S+ 0 0 3 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.604 95.8 66.8 -59.4 -9.9 101.8 -23.4 27.6 46 61 A a H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.772 114.4 27.9 -79.5 -24.3 98.1 -23.8 28.5 47 62 A V H << S+ 0 0 3 -3,-2.6 -2,-0.2 -4,-0.5 4,-0.2 0.294 83.6 99.7-124.3 13.5 99.2 -24.6 32.0 48 63 A D S < S+ 0 0 51 -4,-0.6 -3,-0.1 2,-0.1 -2,-0.1 0.990 71.8 89.1 -55.2 -59.1 102.5 -22.9 32.9 49 64 A R S S- 0 0 22 -4,-0.3 2,-1.4 1,-0.2 -3,-0.0 0.149 89.9-116.5 -36.8 147.0 100.5 -20.2 34.6 50 65 A E + 0 0 189 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.661 65.3 138.6 -90.8 78.5 99.6 -20.5 38.3 51 66 A L - 0 0 41 -2,-1.4 2,-0.9 -4,-0.2 -29,-0.1 -0.814 63.1-105.8-122.2 162.7 95.8 -20.7 37.8 52 67 A T - 0 0 91 -31,-0.4 -31,-2.7 -2,-0.3 2,-0.3 -0.802 46.6-157.3 -89.1 109.1 93.0 -22.7 39.2 53 68 A F E -K 20 0C 9 -2,-0.9 21,-2.6 21,-0.3 2,-0.3 -0.718 17.4-177.9 -98.6 143.0 92.1 -25.1 36.4 54 69 A R E -KN 19 73C 39 -35,-3.4 -35,-2.8 -2,-0.3 2,-0.4 -0.923 13.5-147.7-130.5 148.8 88.9 -26.9 35.7 55 70 A V E -KN 18 72C 0 17,-4.1 17,-2.5 -2,-0.3 2,-0.6 -0.975 4.4-155.7-124.0 137.7 88.2 -29.5 33.0 56 71 A V E -KN 17 71C 0 -39,-1.6 -39,-1.7 -2,-0.4 3,-0.5 -0.933 9.2-171.4-118.5 116.3 84.9 -30.0 31.2 57 72 A V E S+ N 0 70C 0 13,-2.2 13,-2.1 -2,-0.6 52,-0.1 -0.686 70.6 25.6-100.3 156.8 84.0 -33.3 29.6 58 73 A G S S+ 0 0 2 -43,-0.5 -1,-0.2 50,-0.4 10,-0.2 0.704 89.7 151.4 67.9 20.8 81.0 -34.0 27.4 59 74 A E + 0 0 10 -3,-0.5 -49,-0.3 -44,-0.4 -1,-0.2 -0.396 18.4 146.7 -85.3 160.7 80.9 -30.3 26.5 60 75 A H + 0 0 2 1,-0.3 85,-1.4 4,-0.2 2,-0.6 0.259 69.9 42.8-151.1 -60.8 79.6 -28.7 23.3 61 76 A N B > -P 144 0D 20 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.906 64.0-159.9-101.9 117.8 78.0 -25.3 24.1 62 77 A L T 3 S+ 0 0 45 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.613 89.0 51.9 -72.0 -12.0 80.1 -23.3 26.5 63 78 A N T 3 S+ 0 0 115 80,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.238 108.3 46.7-111.0 15.2 77.2 -21.1 27.5 64 79 A Q S < S- 0 0 112 -3,-1.1 2,-1.2 0, 0.0 -3,-0.3 -0.948 71.0-130.5-158.0 133.2 74.5 -23.7 28.3 65 80 A N + 0 0 100 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.725 24.9 178.0 -86.1 97.3 74.4 -26.9 30.4 66 81 A N - 0 0 50 -2,-1.2 -1,-0.2 -5,-0.2 -7,-0.0 0.515 52.0-107.6 -77.6 -5.5 72.8 -29.3 28.0 67 82 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.442 103.0 88.6 95.1 0.6 73.1 -32.1 30.6 68 83 A T + 0 0 21 -10,-0.2 2,-0.1 40,-0.1 40,-0.1 0.471 67.2 101.4-105.6 -5.8 75.9 -34.1 29.0 69 84 A E - 0 0 17 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.426 50.9-163.6 -84.6 155.0 78.7 -32.2 30.6 70 85 A Q E -N 57 0C 44 -13,-2.1 -13,-2.2 -2,-0.1 2,-0.6 -0.997 8.9-152.8-135.0 129.7 80.8 -33.1 33.6 71 86 A Y E +N 56 0C 88 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.908 23.7 161.5-112.9 112.7 82.9 -30.5 35.5 72 87 A V E -N 55 0C 5 -17,-2.5 -17,-4.1 -2,-0.6 2,-0.1 -0.933 30.7-123.5-127.6 150.4 86.0 -31.7 37.3 73 88 A G E -N 54 0C 27 -2,-0.3 27,-2.9 -19,-0.3 2,-0.7 -0.451 26.4-107.2 -89.9 165.3 89.0 -29.8 38.6 74 89 A V E -O 99 0C 27 -21,-2.6 -21,-0.3 25,-0.2 25,-0.2 -0.834 30.6-176.9 -94.3 114.7 92.7 -30.3 37.8 75 90 A Q E + 0 0 109 23,-1.9 2,-0.3 -2,-0.7 24,-0.2 0.865 67.6 11.3 -79.3 -39.1 94.4 -31.9 40.8 76 91 A K E -O 98 0C 78 22,-1.6 22,-1.8 2,-0.0 2,-0.5 -0.996 62.9-147.3-146.5 137.4 98.0 -32.0 39.5 77 92 A I E -O 97 0C 60 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.891 10.3-172.3-108.5 129.9 99.8 -30.5 36.5 78 93 A V E -O 96 0C 24 18,-2.9 18,-2.6 -2,-0.5 2,-0.3 -0.875 5.2-170.7-124.8 99.9 102.6 -32.3 34.8 79 94 A V E -O 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.654 39.8 -95.0 -86.5 142.6 104.4 -30.2 32.2 80 95 A H > - 0 0 17 14,-2.1 3,-2.4 -2,-0.3 -1,-0.1 -0.380 34.1-126.5 -60.0 129.0 106.9 -32.1 30.0 81 96 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.750 106.2 51.0 -45.8 -37.1 110.4 -31.6 31.6 82 97 A Y T 3 S+ 0 0 155 2,-0.1 2,-0.1 10,-0.0 -2,-0.1 0.472 81.0 124.3 -86.6 -0.9 112.0 -30.2 28.4 83 98 A W < - 0 0 30 -3,-2.4 2,-0.6 9,-0.2 9,-0.1 -0.369 47.7-156.7 -63.4 133.9 109.3 -27.6 27.8 84 99 A N > - 0 0 72 7,-0.6 3,-2.3 3,-0.4 6,-0.2 -0.934 6.3-156.2-115.8 105.8 110.6 -24.1 27.5 85 100 A T T 3 S+ 0 0 49 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.613 95.0 48.6 -55.9 -15.0 107.9 -21.6 28.3 86 101 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.416 110.6 49.1-106.3 -1.5 109.8 -19.0 26.2 87 102 A D X + 0 0 71 -3,-2.3 3,-1.9 1,-0.1 4,-0.4 -0.617 51.2 167.2-140.2 81.0 110.3 -21.1 23.1 88 103 A V G > S+ 0 0 20 1,-0.3 3,-2.0 -2,-0.2 5,-0.2 0.891 81.9 62.0 -58.5 -38.5 107.2 -22.8 21.8 89 104 A A G 3 S+ 0 0 13 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.599 88.2 73.3 -64.4 -9.5 109.1 -23.6 18.6 90 105 A A G < S- 0 0 29 -3,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.768 98.7-142.1 -76.1 -23.5 111.5 -25.6 20.7 91 106 A G < + 0 0 3 -3,-2.0 -7,-0.6 -4,-0.4 -1,-0.2 -0.567 69.2 110.7 98.8-162.1 108.9 -28.3 21.1 92 107 A Y + 0 0 85 1,-0.2 2,-1.8 -2,-0.2 -12,-0.3 0.760 43.6 157.2 59.2 24.9 107.9 -30.5 24.1 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.566 30.7 104.3 -83.9 79.8 104.7 -28.5 24.2 94 109 A I + 0 0 0 -2,-1.8 -14,-2.1 -51,-0.3 2,-0.3 -0.987 40.3 179.2-155.6 148.0 102.6 -31.1 26.1 95 110 A A E -MO 42 79C 0 -53,-2.9 -53,-2.6 -2,-0.3 2,-0.3 -0.992 18.5-138.5-153.5 148.7 101.3 -31.6 29.6 96 111 A L E -MO 41 78C 0 -18,-2.6 -18,-2.9 -2,-0.3 2,-0.5 -0.829 12.6-157.4-108.2 148.0 99.2 -34.1 31.5 97 112 A L E -MO 40 77C 0 -57,-2.2 -57,-2.0 -2,-0.3 2,-0.3 -0.934 5.6-151.6-131.2 109.6 96.6 -33.2 34.0 98 113 A R E -MO 39 76C 49 -22,-1.8 -23,-1.9 -2,-0.5 -22,-1.6 -0.638 27.9-128.3 -77.4 134.4 95.4 -35.6 36.7 99 114 A L E - 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