==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-07 2V35 . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.F.OLIVEIRA,J.MULCHANDE,L.MARTINS,R.MOREIRA,J.ILEY, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10716.0 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 . 83 34.6 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 . 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 . 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 . 6 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 0.000 360.0 360.0 360.0 120.5 11.3 -4.5 -1.6 2 17 A V B 3 +A 182 0A 11 180,-2.4 180,-1.8 1,-0.2 134,-0.1 -0.776 360.0 11.0 -90.2 136.2 14.9 -5.3 -2.8 3 18 A G T 3 S+ 0 0 41 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.801 98.1 143.7 66.5 31.0 16.1 -8.8 -2.1 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.283 43.7-137.0 -88.5 176.5 12.7 -10.0 -1.1 5 20 A T E -B 147 0B 86 142,-2.4 142,-2.6 -2,-0.1 2,-0.3 -0.915 39.1 -87.3-126.0 158.2 10.9 -13.3 -1.5 6 21 A E E -B 146 0B 112 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.521 45.2-128.5 -68.4 125.9 7.2 -13.7 -2.5 7 22 A A - 0 0 3 138,-2.5 2,-0.1 -2,-0.3 138,-0.1 -0.454 25.6-105.2 -67.2 144.5 4.9 -13.6 0.6 8 23 A Q > - 0 0 128 -2,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.491 37.6-108.5 -62.3 146.7 2.4 -16.5 1.0 9 24 A R T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.706 115.0 35.1 -51.2 -32.1 -1.1 -15.2 0.1 10 25 A N T 3 S+ 0 0 75 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.198 89.5 95.3-115.5 18.9 -2.2 -15.3 3.8 11 26 A S S < S+ 0 0 56 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.887 95.6 24.8 -74.1 -39.2 0.9 -14.3 5.7 12 27 A W > + 0 0 26 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.612 65.8 165.8-130.8 65.4 0.3 -10.6 6.1 13 28 A P T 3 S+ 0 0 33 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.569 73.0 62.2 -68.8 -8.5 -3.5 -10.0 5.9 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.573 78.5 108.4 -88.4 -10.2 -3.3 -6.4 7.3 15 30 A Q E < -I 33 0C 5 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.481 50.0-173.6 -67.0 132.9 -1.1 -5.2 4.4 16 31 A I E -I 32 0C 0 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.861 24.2-127.9-122.1 159.9 -3.0 -2.9 2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.6 -0.955 18.8-153.2-104.2 121.5 -2.2 -1.3 -1.4 18 33 A L E -IJ 30 55C 0 12,-3.1 11,-2.9 -2,-0.5 12,-1.8 -0.881 24.6-179.8 -95.5 123.0 -2.8 2.4 -1.4 19 34 A Q E -IJ 28 54C 10 35,-2.9 35,-2.5 -2,-0.6 2,-0.3 -0.859 19.3-148.7-127.6 153.9 -3.6 3.5 -5.0 20 35 A Y E -IJ 27 53C 55 7,-2.3 7,-2.8 -2,-0.3 2,-0.3 -0.923 30.6-102.3-122.3 153.3 -4.4 6.7 -6.9 21 36 A R E +I 26 0C 119 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.578 37.5 179.7 -76.3 130.9 -6.5 7.3 -10.0 22 36AA S E > -I 25 0C 53 3,-3.1 3,-2.4 -2,-0.3 2,-0.2 -0.949 59.6 -57.1-138.3 104.0 -4.4 7.7 -13.1 23 36BA G T 3 S- 0 0 77 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.398 120.1 -18.8 54.4-119.3 -6.5 8.3 -16.3 24 36CA S T 3 S+ 0 0 123 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.299 132.9 58.8 -97.4 6.8 -8.9 5.3 -16.6 25 37 A S E < S-I 22 0C 65 -3,-2.4 -3,-3.1 -5,-0.0 2,-0.4 -0.664 77.7-115.2-127.8-179.6 -6.8 3.1 -14.3 26 38 A W E -I 21 0C 71 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.947 22.8-154.6-120.3 142.5 -5.5 2.9 -10.7 27 39 A A E -I 20 0C 28 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.2 -0.972 19.1-121.9-121.6 131.0 -1.8 3.0 -9.8 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.509 39.4 160.7 -63.6 130.6 -0.2 1.5 -6.7 29 41 A T E - 0 0 15 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.669 55.7 -5.2-120.7 -31.1 1.7 4.2 -4.8 30 42 A a E -I 18 0C 2 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.963 59.7-114.1-155.8 165.1 2.2 3.1 -1.2 31 43 A G E +I 17 0C 1 157,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.421 30.3 176.8 -93.5-179.6 1.5 0.4 1.3 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.2 -2,-0.2 2,-0.4 -0.945 26.7-114.9-168.1 175.5 -0.5 0.7 4.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.995 22.4-129.3-127.5 126.8 -1.8 -1.3 7.4 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.4 -2,-0.4 6,-0.2 -0.648 35.2 165.9 -72.0 120.8 -5.5 -2.0 8.1 35 47 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.616 66.4 14.2-113.9 -21.0 -6.0 -1.1 11.8 36 48 A R E > S- K 0 39C 92 3,-1.8 3,-1.4 74,-0.1 -1,-0.3 -0.923 89.3 -99.6-137.4 165.8 -9.8 -0.9 12.0 37 49 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.793 128.1 27.7 -58.0 -22.1 -12.4 -2.3 9.5 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.112 112.6 76.4-125.7 22.0 -12.7 1.4 8.3 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.8 -0.993 51.1-169.3-138.3 135.5 -9.2 2.8 9.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-3.0 -2,-0.4 2,-0.5 -0.959 13.9-145.0-119.8 136.7 -5.8 2.4 7.5 41 53 A M E +KL 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.886 36.6 146.2 -98.7 126.1 -2.4 3.5 8.9 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.717 50.4 -69.5-140.9-171.3 0.1 4.8 6.3 43 55 A A >> - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.740 32.4-134.2 -88.3 140.0 2.9 7.4 5.8 44 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.908 105.9 59.7 -54.2 -42.5 2.0 11.1 5.7 45 57 A H G >4 S+ 0 0 50 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.757 93.2 66.5 -64.8 -21.8 4.3 11.6 2.7 46 58 A a G <4 S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.3 3,-0.2 0.748 107.7 39.6 -67.4 -24.4 2.2 9.0 0.7 47 59 A V G << S+ 0 0 13 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.120 79.6 105.9-116.6 23.4 -0.8 11.4 0.8 48 60 A D < + 0 0 60 -3,-1.1 -1,-0.1 -4,-0.1 -2,-0.1 0.870 67.3 82.0 -65.7 -37.1 1.0 14.8 0.3 49 61 A R S S- 0 0 128 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.425 90.0-120.5 -76.0 146.8 -0.3 14.9 -3.3 50 62 A E + 0 0 197 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.324 65.6 139.3 -81.2 56.7 -3.9 16.1 -4.0 51 63 A L - 0 0 60 -2,-1.9 2,-0.6 -4,-0.1 -31,-0.0 -0.439 62.4-104.9-101.6 168.3 -4.9 12.8 -5.6 52 64 A T - 0 0 91 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.871 47.3-165.0 -90.2 119.8 -8.0 10.5 -5.6 53 65 A F E -J 20 0C 11 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.801 16.5-179.6-110.7 146.9 -7.0 7.5 -3.4 54 65AA R E -JM 19 73C 46 -35,-2.5 -35,-2.9 -2,-0.3 2,-0.4 -0.948 19.0-135.8-133.1 161.8 -8.4 4.1 -2.9 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.5 -0.932 9.2-158.1-113.3 138.3 -7.4 1.2 -0.7 56 67 A V E -JM 17 71C 0 -39,-2.4 -39,-2.1 -2,-0.4 3,-0.3 -0.979 10.9-173.8-115.5 121.8 -7.2 -2.5 -1.7 57 68 A V E S+ M 0 70C 2 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.754 70.2 32.4-104.8 159.6 -7.4 -5.1 1.0 58 69 A G S S+ 0 0 5 50,-0.7 2,-0.4 -43,-0.4 10,-0.3 0.811 86.7 152.0 62.8 29.9 -6.9 -8.8 0.3 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.783 16.0 151.8 -94.3 133.0 -4.5 -7.9 -2.5 60 71 A H S S+ 0 0 8 -2,-0.4 85,-1.8 1,-0.4 2,-0.5 0.632 70.2 33.4-120.7 -48.1 -1.7 -10.2 -3.5 61 72 A N B > -O 144 0D 11 3,-0.3 3,-0.9 83,-0.2 -1,-0.4 -0.961 63.5-156.0-116.2 118.8 -0.9 -9.5 -7.2 62 73 A L T 3 S+ 0 0 30 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.757 94.7 40.1 -62.4 -23.2 -1.4 -6.0 -8.4 63 74 A N T 3 S+ 0 0 103 80,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.336 110.1 56.4-115.2 4.8 -1.9 -7.1 -11.9 64 75 A Q S < S- 0 0 122 -3,-0.9 2,-0.5 79,-0.2 -3,-0.3 -0.974 86.4 -99.6-139.2 148.2 -4.0 -10.2 -11.7 65 76 A N - 0 0 141 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.576 32.6-178.1 -66.6 116.6 -7.4 -11.2 -10.2 66 77 A D - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.634 35.1-130.9 -86.1 -19.6 -6.7 -12.8 -6.8 67 78 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.560 94.4 75.0 76.7 10.7 -10.4 -13.5 -6.1 68 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.392 64.7 120.7-130.3 -4.4 -9.9 -12.0 -2.6 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.352 37.4-168.6 -73.6 145.3 -9.7 -8.2 -3.2 70 81 A Q E -M 57 0C 47 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.997 11.7-155.3-125.7 131.5 -12.0 -5.6 -1.7 71 82 A Y E +M 56 0C 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.916 17.8 175.3-109.6 129.0 -11.6 -2.1 -3.2 72 83 A V E -M 55 0C 9 -17,-2.5 -17,-3.0 -2,-0.5 -2,-0.0 -0.996 26.8-121.6-142.0 135.8 -12.7 0.9 -1.1 73 84 A G E -M 54 0C 32 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.346 28.2-115.8 -72.5 156.3 -12.5 4.7 -1.4 74 85 A V E -N 99 0C 30 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.875 31.5-179.3 -94.0 120.3 -10.7 6.9 1.0 75 86 A Q E + 0 0 111 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.770 64.1 11.6 -91.5 -34.8 -13.2 9.2 2.7 76 87 A K E -N 98 0C 84 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.992 59.4-153.1-150.7 140.2 -11.0 11.2 5.1 77 88 A I E -N 97 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.976 8.6-174.1-119.6 121.0 -7.3 11.8 5.5 78 89 A V E -N 96 0C 28 18,-3.0 18,-2.9 -2,-0.5 2,-0.3 -0.926 8.6-170.2-115.9 104.0 -5.8 12.7 8.8 79 90 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.655 40.5 -90.3 -86.6 147.7 -2.1 13.5 8.6 80 91 A H > - 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