==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-OCT-00 1FZZ . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Y.ODAGAKI,K.OHMOTO,S.MATSUOKA,N.HAMANAKA,H.NAKAI,M.TODA, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.0 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 . 81 33.8 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 . 21 8.8 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 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 . 5 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,-0.4 0.000 360.0 360.0 360.0 121.2 -11.3 33.9 36.2 2 17 A V B 3 +A 182 0A 12 180,-2.3 180,-1.7 1,-0.2 134,-0.1 -0.748 360.0 11.2 -92.4 138.8 -14.8 34.7 35.1 3 18 A G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.812 98.6 133.7 68.0 31.2 -16.1 38.2 35.7 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.301 47.3-133.8-102.3-172.0 -12.7 39.6 36.8 5 20 A T E -B 147 0B 87 142,-2.3 142,-2.1 -2,-0.1 2,-0.2 -0.942 39.5 -82.9-138.3 156.9 -10.7 42.7 36.0 6 21 A E E -B 146 0B 115 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.457 45.7-132.5 -66.4 129.6 -7.0 43.1 35.2 7 22 A A - 0 0 1 138,-2.6 138,-0.1 -2,-0.2 -1,-0.1 -0.508 26.3-102.2 -79.9 149.0 -4.8 43.1 38.3 8 23 A Q > - 0 0 127 -2,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.350 36.0-106.7 -67.6 154.9 -2.2 45.8 38.6 9 24 A R T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.776 115.8 32.0 -51.8 -36.1 1.4 44.7 37.9 10 25 A N T 3 S+ 0 0 80 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.133 90.8 97.6-114.9 22.4 2.5 44.7 41.5 11 26 A S S < S+ 0 0 53 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.888 92.4 25.6 -77.8 -41.2 -0.7 43.7 43.3 12 27 A W > + 0 0 30 -4,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.604 64.0 165.4-127.9 72.6 -0.2 39.9 43.9 13 28 A P T 3 S+ 0 0 35 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.596 72.2 63.7 -62.9 -15.5 3.6 39.2 43.9 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.626 79.5 105.8 -85.6 -13.2 3.2 35.7 45.4 15 30 A Q E < -I 33 0C 8 -3,-1.5 43,-0.5 18,-0.2 44,-0.3 -0.427 48.4-177.7 -70.3 136.1 1.3 34.4 42.3 16 31 A I E -I 32 0C 1 16,-1.9 16,-0.9 -2,-0.2 2,-0.5 -0.880 24.9-126.8-130.7 164.1 3.1 32.1 39.9 17 32 A S E -IJ 31 56C 0 39,-1.9 39,-2.0 -2,-0.3 2,-0.6 -0.961 18.2-148.7-112.7 125.9 2.3 30.4 36.6 18 33 A L E -IJ 30 55C 0 12,-3.2 11,-2.7 -2,-0.5 12,-1.6 -0.866 24.3-175.7 -96.2 118.4 2.8 26.6 36.5 19 34 A Q E -IJ 28 54C 10 35,-2.9 35,-2.7 -2,-0.6 2,-0.3 -0.886 16.6-160.4-121.2 149.5 3.8 25.5 33.0 20 35 A Y E -IJ 27 53C 66 7,-2.0 7,-2.9 -2,-0.3 2,-0.6 -0.907 32.3-105.2-121.8 150.2 4.5 22.2 31.3 21 36 A R E -I 26 0C 121 31,-1.6 2,-0.5 -2,-0.3 31,-0.3 -0.665 35.6-177.3 -80.4 120.4 6.4 21.7 28.0 22 36AA S E > -I 25 0C 44 3,-2.7 3,-1.8 -2,-0.6 2,-0.3 -0.974 63.3 -42.4-118.9 113.9 4.1 20.9 25.2 23 36BA G T 3 S- 0 0 71 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.503 123.0 -27.0 67.8-128.3 5.9 20.2 21.9 24 36CA S T 3 S+ 0 0 126 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.071 130.5 66.3-106.6 22.5 8.8 22.7 21.6 25 37 A S E < S-I 22 0C 70 -3,-1.8 -3,-2.7 -5,-0.0 2,-0.4 -0.844 78.4-116.8-135.0 171.1 6.9 25.3 23.7 26 38 A W E -I 21 0C 87 -5,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.924 26.3-162.6-113.0 137.2 5.7 25.8 27.3 27 39 A A E -I 20 0C 29 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.1 -0.974 21.7-118.3-127.5 133.3 2.1 26.2 28.2 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.371 39.7 159.8 -61.3 135.7 0.4 27.6 31.3 29 41 A T E + 0 0 29 -11,-2.7 2,-0.3 1,-0.4 159,-0.2 0.596 58.1 1.7-129.6 -30.3 -1.7 24.9 33.0 30 42 A a E -I 18 0C 4 -12,-1.6 -12,-3.2 157,-0.1 -1,-0.4 -0.948 61.2-119.2-153.5 169.7 -2.2 26.0 36.6 31 43 A G E +I 17 0C 2 157,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.389 30.2 175.0-102.1-174.9 -1.5 28.7 39.1 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-1.9 -2,-0.1 2,-0.4 -0.965 26.2-111.6-175.9 175.5 0.4 28.5 42.4 33 45 A T E -IK 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.6 -0.992 20.0-131.1-132.1 129.6 1.8 30.4 45.3 34 46 A L E + K 0 40C 1 -20,-2.7 78,-3.0 -2,-0.4 6,-0.2 -0.666 35.4 161.6 -77.4 117.2 5.4 31.2 46.2 35 47 A I E + 0 0 3 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.619 66.9 20.0-111.2 -20.1 5.8 30.3 49.9 36 48 A R E > S- K 0 39C 99 3,-1.8 3,-1.3 74,-0.1 -1,-0.3 -0.933 88.1-103.9-141.7 159.6 9.6 30.0 50.1 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.753 126.8 23.8 -59.5 -20.2 12.3 31.3 47.8 38 50 A N T 3 S+ 0 0 53 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.078 113.5 78.5-131.6 22.3 12.6 27.7 46.5 39 51 A W E < -KL 36 98C 4 -3,-1.3 -4,-1.9 59,-0.2 -3,-1.8 -0.999 52.4-168.6-136.5 135.6 9.1 26.2 47.4 40 52 A V E -KL 34 97C 0 57,-2.5 57,-2.9 -2,-0.4 2,-0.5 -0.971 11.4-146.7-126.0 138.5 5.8 26.6 45.6 41 53 A M E +KL 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.884 35.0 140.4-105.4 130.8 2.3 25.6 46.8 42 54 A T E - L 0 95C 0 53,-2.4 53,-2.3 -2,-0.5 2,-0.3 -0.767 51.8 -63.2-148.7-168.3 -0.3 24.4 44.3 43 55 A A >> - 0 0 0 -12,-0.4 3,-1.4 51,-0.3 4,-0.6 -0.720 33.0-135.6 -92.1 141.2 -3.0 21.8 43.8 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.904 105.0 59.2 -58.5 -44.0 -2.2 18.1 43.7 45 57 A H G 34 S+ 0 0 55 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.610 97.2 62.8 -64.2 -10.2 -4.4 17.5 40.6 46 58 A a G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.749 110.3 36.6 -83.9 -26.3 -2.2 20.0 38.7 47 59 A V S << S+ 0 0 11 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.075 84.8 104.8-114.2 23.9 0.9 17.8 39.0 48 60 A D + 0 0 53 -3,-0.3 2,-0.2 -4,-0.1 -1,-0.1 0.645 65.2 83.4 -76.9 -17.6 -0.8 14.5 38.7 49 61 A R S S- 0 0 90 -3,-0.2 2,-2.0 -4,-0.1 -3,-0.0 -0.576 88.9-115.1 -91.6 154.0 0.4 14.0 35.1 50 62 A E S S+ 0 0 198 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.398 71.3 130.8 -81.5 60.1 3.8 12.7 34.1 51 63 A L - 0 0 63 -2,-2.0 2,-0.6 -4,-0.1 -29,-0.1 -0.703 64.7-108.8-112.2 165.0 4.8 16.0 32.5 52 64 A T - 0 0 72 -31,-0.3 -31,-1.6 -2,-0.2 2,-0.3 -0.832 43.0-161.3 -93.1 121.5 7.9 18.2 32.8 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.705 16.2-177.9-108.0 158.4 7.0 21.4 34.7 54 65AA R E -JM 19 73C 51 -35,-2.7 -35,-2.9 -2,-0.3 2,-0.4 -0.972 18.2-134.4-145.7 154.9 8.5 24.8 35.1 55 66 A V E -JM 18 72C 0 17,-3.4 17,-2.6 -2,-0.3 2,-0.5 -0.927 9.3-160.7-118.2 139.9 7.6 27.8 37.3 56 67 A V E -JM 17 71C 0 -39,-2.0 -39,-1.9 -2,-0.4 3,-0.3 -0.974 10.7-176.8-121.2 121.4 7.4 31.5 36.2 57 68 A V E + M 0 70C 2 13,-1.9 13,-1.9 -2,-0.5 -41,-0.1 -0.786 67.8 34.0-111.6 158.7 7.4 34.3 38.8 58 69 A G S S+ 0 0 7 50,-0.5 2,-0.3 -43,-0.5 10,-0.2 0.761 86.4 151.7 68.8 23.5 7.1 38.0 38.2 59 70 A E + 0 0 20 -44,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.698 16.3 150.1 -91.6 137.6 4.7 37.1 35.4 60 71 A H + 0 0 9 1,-0.3 85,-1.5 -2,-0.3 2,-0.6 0.589 69.8 36.1-128.5 -53.5 1.9 39.4 34.2 61 72 A N B > -O 144 0D 13 3,-0.4 3,-1.3 83,-0.2 -1,-0.3 -0.944 66.7-154.8-110.1 116.2 1.3 38.9 30.5 62 73 A L T 3 S+ 0 0 34 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.852 93.2 37.3 -57.6 -38.6 1.6 35.3 29.4 63 74 A N T 3 S+ 0 0 103 80,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.164 110.9 64.6-103.1 18.0 2.4 36.1 25.8 64 75 A Q S < S- 0 0 121 -3,-1.3 2,-0.5 79,-0.2 -3,-0.4 -1.000 84.1-109.0-142.5 142.9 4.6 39.3 26.2 65 76 A N - 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.565 30.1-179.9 -71.1 119.3 7.9 40.1 27.8 66 77 A D - 0 0 28 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.637 38.1-127.8 -92.8 -17.6 7.2 42.0 31.0 67 78 A G S S+ 0 0 57 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.776 95.3 78.3 75.0 25.4 10.9 42.4 31.8 68 79 A T + 0 0 28 -10,-0.2 2,-0.1 -11,-0.1 -9,-0.1 0.363 63.1 118.6-140.5 -4.1 10.2 41.1 35.3 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.379 39.9-166.7 -74.8 146.0 9.9 37.3 34.8 70 81 A Q E -M 57 0C 42 -13,-1.9 -13,-1.9 -2,-0.1 2,-0.6 -0.999 11.0-151.1-130.5 125.6 12.2 34.6 36.3 71 82 A Y E +M 56 0C 128 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.891 20.9 172.0-105.2 120.1 12.0 31.1 34.9 72 83 A V E -M 55 0C 16 -17,-2.6 -17,-3.4 -2,-0.6 2,-0.1 -0.973 25.1-128.4-129.7 141.3 12.9 28.2 37.3 73 84 A G E -M 54 0C 32 -2,-0.4 27,-3.1 -19,-0.2 2,-0.5 -0.412 23.1-116.5 -83.5 160.6 12.6 24.4 36.9 74 85 A V E +N 99 0C 33 -21,-1.2 25,-0.2 25,-0.2 -21,-0.2 -0.844 29.7 177.0 -96.5 129.4 10.9 22.1 39.3 75 86 A Q E + 0 0 116 23,-2.9 2,-0.3 -2,-0.5 24,-0.2 0.656 66.0 18.0-107.0 -19.6 13.2 19.6 40.9 76 87 A K E -N 98 0C 85 22,-1.4 22,-2.9 2,-0.0 2,-0.5 -0.960 59.3-157.4-156.2 133.8 10.9 17.7 43.3 77 88 A I E -N 97 0C 71 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.956 7.1-171.6-115.9 126.4 7.2 17.3 43.6 78 89 A V E -N 96 0C 29 18,-3.0 18,-2.8 -2,-0.5 2,-0.2 -0.917 6.1-171.8-121.7 105.8 5.5 16.3 46.9 79 90 A V E -N 95 0C 42 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.646 40.2 -88.9 -92.5 151.1 1.8 15.5 46.7 80 91 A H > - 0 0 24 14,-1.8 3,-2.7 12,-0.3 -1,-0.1 -0.408 33.6-130.2 -61.3 128.3 -0.3 14.9 49.9 81 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.750 107.9 51.2 -50.4 -28.7 -0.1 11.2 50.8 82 93 A Y T 3 S+ 0 0 163 10,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.434 80.9 121.7 -92.2 0.7 -3.9 11.1 51.1 83 94 A W < - 0 0 23 -3,-2.7 2,-0.6 9,-0.1 9,-0.1 -0.464 48.7-156.5 -67.8 132.0 -4.5 12.6 47.7 84 95 A N > - 0 0 90 7,-0.5 3,-2.6 3,-0.4 6,-0.2 -0.917 24.6-113.0-115.6 106.8 -6.5 10.4 45.4 85 96 A T T 3 S- 0 0 80 -2,-0.6 -40,-0.0 1,-0.3 -41,-0.0 0.069 96.3 -0.0 -36.8 136.4 -6.1 11.0 41.7 86 97 A D T 3 S+ 0 0 157 1,-0.1 2,-1.0 2,-0.0 -1,-0.3 0.327 106.1 106.8 63.2 -10.0 -9.2 12.4 39.9 87 98 A D X + 0 0 63 -3,-2.6 3,-1.2 1,-0.2 -3,-0.4 -0.517 32.4 153.7 -99.9 66.8 -11.0 12.3 43.3 88 99 A V G > + 0 0 37 -2,-1.0 3,-1.2 1,-0.2 5,-0.2 0.776 64.3 67.1 -64.4 -28.3 -11.1 16.0 44.0 89 99AA A G 3 S+ 0 0 30 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.701 91.5 63.2 -67.6 -19.4 -14.2 15.7 46.2 90 99BA A G < S- 0 0 38 -3,-1.2 -1,-0.2 1,-0.3 2,-0.2 0.665 101.8-139.4 -79.4 -17.1 -12.3 13.7 48.8 91 100 A G < + 0 0 2 -3,-1.2 -7,-0.5 -4,-0.3 -1,-0.3 -0.541 68.6 113.8 93.4-161.3 -10.0 16.7 49.5 92 101 A Y + 0 0 81 1,-0.2 2,-2.0 -2,-0.2 -12,-0.3 0.702 40.5 156.0 62.5 21.8 -6.2 16.6 50.1 93 102 A D + 0 0 1 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.523 32.0 105.7 -80.7 76.8 -5.8 18.5 46.8 94 103 A I + 0 0 0 -2,-2.0 -14,-1.8 -51,-0.3 2,-0.3 -0.988 39.5 177.0-156.8 143.5 -2.5 20.1 47.6 95 104 A A E -LN 42 79C 0 -53,-2.3 -53,-2.4 -2,-0.3 2,-0.4 -0.982 19.1-138.6-147.2 155.6 1.1 19.7 46.6 96 105 A L E -LN 41 78C 0 -18,-2.8 -18,-3.0 -2,-0.3 2,-0.5 -0.966 13.1-157.8-120.6 134.3 4.5 21.3 47.2 97 106 A L E -LN 40 77C 0 -57,-2.9 -57,-2.5 -2,-0.4 2,-0.6 -0.946 6.9-149.7-114.8 127.0 7.1 21.9 44.5 98 107 A R E -LN 39 76C 46 -22,-2.9 -23,-2.9 -2,-0.5 -22,-1.4 -0.848 24.1-133.9 -93.9 122.5 10.8 22.3 45.3 99 108 A L E - 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