==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-06 2FOB . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MATTOS,C.R.BELLAMACINA,E.PEISACH,A.PEREIRA,D.VITKUP,G.A.PE . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10974.0 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 . 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 . 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 . 28 11.7 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 0.000 360.0 360.0 360.0 119.8 40.3 33.8 35.8 2 17 A V B 3 +A 182 0A 10 180,-2.5 180,-1.8 1,-0.2 134,-0.1 -0.779 360.0 10.1 -93.1 134.0 36.8 34.5 34.6 3 18 A G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.771 100.6 128.4 72.7 26.8 35.5 38.1 35.2 4 19 A G < - 0 0 30 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.281 49.8-131.9-102.5-170.3 38.9 39.4 36.2 5 20 A T E -B 147 0B 89 142,-2.4 142,-2.3 -2,-0.1 2,-0.2 -0.951 38.4 -81.6-140.3 156.6 41.1 42.4 35.2 6 21 A E E -B 146 0B 106 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.402 46.6-130.6 -63.5 129.7 44.8 42.6 34.3 7 22 A A - 0 0 2 138,-2.6 3,-0.1 -2,-0.2 138,-0.1 -0.462 31.7 -93.6 -78.2 152.4 46.9 42.8 37.4 8 23 A Q > - 0 0 153 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.459 62.3 -87.5 -61.9 137.7 49.6 45.5 37.6 9 24 A R T 3 S- 0 0 120 1,-0.3 -1,-0.1 2,-0.1 51,-0.1 -0.238 108.1 -1.5 -55.3 131.5 52.7 43.9 36.3 10 25 A N T 3 S+ 0 0 24 49,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.711 90.3 128.7 61.6 25.5 54.7 42.1 39.0 11 26 A S S < S+ 0 0 45 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.595 75.4 45.5 -84.3 -11.7 52.1 43.2 41.7 12 27 A W S > S+ 0 0 33 -4,-0.3 3,-1.9 96,-0.1 -1,-0.3 -0.647 75.2 175.0-128.3 70.0 51.8 39.5 42.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.551 71.2 59.5 -55.2 -16.7 55.6 38.6 42.9 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.5 97,-0.1 2,-0.2 0.562 80.2 107.9 -91.7 -8.8 55.1 35.1 44.4 15 30 A Q E < -I 33 0C 5 -3,-1.9 43,-0.5 18,-0.2 44,-0.3 -0.498 50.5-172.5 -70.6 130.0 52.9 34.0 41.5 16 31 A I E -I 32 0C 0 16,-2.2 16,-0.8 -2,-0.2 2,-0.5 -0.837 22.2-130.6-122.2 162.3 54.6 31.5 39.2 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.1 -2,-0.3 2,-0.6 -0.965 17.5-154.1-111.9 123.3 53.7 29.9 35.9 18 33 A L E +IJ 30 55C 0 12,-3.2 11,-2.7 -2,-0.5 12,-1.8 -0.896 21.8 179.5 -99.8 121.0 54.1 26.2 35.7 19 34 A Q E -IJ 28 54C 11 35,-2.7 35,-2.2 -2,-0.6 2,-0.3 -0.859 16.9-151.5-124.2 156.2 54.8 25.0 32.1 20 35 A Y E -IJ 27 53C 69 7,-2.3 7,-2.2 -2,-0.3 2,-0.4 -0.900 27.0-106.3-124.2 155.4 55.4 21.7 30.4 21 36 A R E -I 26 0C 122 31,-1.9 2,-0.5 -2,-0.3 31,-0.3 -0.680 27.6-174.3 -85.9 130.5 57.3 20.8 27.3 22 37 A S E > -I 25 0C 62 3,-3.3 3,-1.8 -2,-0.4 2,-0.7 -0.892 66.6 -56.2-123.2 94.7 55.2 19.9 24.2 23 38 A G T 3 S- 0 0 60 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.597 121.1 -19.6 73.3-112.9 57.7 18.8 21.5 24 39 A S T 3 S+ 0 0 124 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.2 0.237 129.1 69.6-111.6 10.2 60.0 21.8 21.1 25 40 A S E < S-I 22 0C 64 -3,-1.8 -3,-3.3 2,-0.0 2,-0.4 -0.766 72.7-124.9-124.0 169.8 57.8 24.4 22.7 26 41 A W E -I 21 0C 90 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.902 17.8-164.7-118.5 147.1 56.4 25.1 26.2 27 42 A A E -I 20 0C 31 -7,-2.2 -7,-2.3 -2,-0.4 2,-0.2 -0.996 22.9-120.8-134.2 135.4 52.8 25.5 27.4 28 43 A H E +I 19 0C 18 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.515 38.4 159.7 -70.9 135.3 51.4 27.0 30.5 29 44 A T E + 0 0 47 -11,-2.7 157,-0.3 1,-0.4 2,-0.3 0.608 56.4 4.1-127.9 -29.8 49.3 24.5 32.5 30 45 A a E -I 18 0C 5 -12,-1.8 -12,-3.2 157,-0.1 -1,-0.4 -0.961 57.5-121.5-153.6 169.0 49.1 25.8 36.1 31 46 A G E +I 17 0C 1 157,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.420 30.5 172.5-101.8-177.7 49.9 28.4 38.6 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-2.2 -2,-0.2 2,-0.4 -0.963 28.2-110.4-176.2 174.1 51.9 28.1 41.8 33 48 A T E -IK 15 41C 1 8,-2.7 8,-3.3 -2,-0.3 2,-0.7 -0.991 20.5-131.9-128.7 129.9 53.4 30.0 44.6 34 49 A L E + K 0 40C 0 -20,-2.5 78,-3.1 -2,-0.4 6,-0.2 -0.700 33.8 165.4 -77.8 114.6 57.1 30.6 45.3 35 50 A I E + 0 0 1 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.605 66.7 13.9-107.4 -16.5 57.6 29.7 49.0 36 51 A R E > S- K 0 39C 100 3,-1.6 3,-1.4 74,-0.1 -1,-0.3 -0.935 89.0 -99.2-147.7 161.1 61.4 29.4 49.2 37 52 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.786 127.7 26.8 -57.0 -24.1 64.1 30.5 46.7 38 53 A N T 3 S+ 0 0 42 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.149 112.2 76.2-125.2 20.2 64.1 26.9 45.6 39 54 A W E < -KL 36 98C 4 -3,-1.4 -4,-2.1 59,-0.2 -3,-1.6 -0.997 51.4-169.6-136.5 135.2 60.6 25.6 46.4 40 55 A V E -KL 34 97C 0 57,-2.2 57,-2.8 -2,-0.4 2,-0.5 -0.946 12.9-145.8-121.9 141.3 57.2 26.1 44.7 41 56 A M E +KL 33 96C 0 -8,-3.3 -8,-2.7 -2,-0.4 2,-0.2 -0.920 35.4 142.9-107.5 130.0 53.8 25.2 46.1 42 57 A T E - L 0 95C 0 53,-2.5 53,-2.4 -2,-0.5 2,-0.3 -0.782 51.1 -66.5-147.7-170.8 51.2 24.1 43.6 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.6 -0.653 33.4-132.8 -88.7 146.1 48.3 21.6 43.1 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.882 105.5 60.7 -63.5 -37.2 48.9 17.9 43.1 45 60 A H G 34 S+ 0 0 59 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.636 95.7 63.8 -68.2 -9.5 46.7 17.4 40.0 46 61 A a G <4 S+ 0 0 11 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.757 111.1 34.7 -81.5 -26.7 49.0 19.8 38.1 47 62 A V S << S+ 0 0 11 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.010 84.9 106.3-118.3 28.4 52.0 17.4 38.4 48 63 A D + 0 0 59 -3,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.818 69.4 71.5 -73.2 -34.5 50.1 14.1 38.1 49 64 A R S S- 0 0 197 -4,-0.2 2,-1.5 -3,-0.2 0, 0.0 -0.506 90.7-114.7 -85.3 153.8 51.3 13.5 34.6 50 65 A E + 0 0 200 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.620 64.6 133.4 -91.4 80.9 54.8 12.5 33.7 51 66 A L - 0 0 71 -2,-1.5 2,-0.6 -4,-0.0 -29,-0.1 -0.711 64.3 -98.4-120.2 170.1 55.9 15.6 31.7 52 67 A T - 0 0 71 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.848 48.0-162.9 -92.7 123.1 59.0 17.8 31.7 53 68 A F E -J 20 0C 14 -2,-0.6 21,-0.9 -33,-0.2 2,-0.3 -0.753 16.1-176.8-110.1 156.1 58.2 20.9 33.8 54 69 A R E -JM 19 73C 57 -35,-2.2 -35,-2.7 -2,-0.3 2,-0.4 -0.983 17.4-137.8-145.9 149.9 59.7 24.3 34.2 55 70 A V E -JM 18 72C 0 17,-3.3 17,-2.6 -2,-0.3 2,-0.5 -0.905 9.6-160.5-113.1 139.5 58.9 27.2 36.4 56 71 A V E -JM 17 71C 0 -39,-2.1 -39,-2.0 -2,-0.4 3,-0.3 -0.981 9.9-172.7-121.1 120.7 58.8 30.8 35.3 57 72 A V E + M 0 70C 1 13,-2.4 13,-1.8 -2,-0.5 -41,-0.1 -0.762 67.6 30.4-108.9 158.5 59.0 33.6 38.0 58 73 A G S S+ 0 0 3 -43,-0.5 -1,-0.2 50,-0.4 10,-0.2 0.654 86.7 152.5 70.4 16.3 58.6 37.3 37.4 59 74 A E + 0 0 10 -44,-0.3 -49,-0.3 -3,-0.3 -1,-0.2 -0.429 17.9 151.5 -81.3 151.1 56.2 36.6 34.6 60 75 A H + 0 0 2 1,-0.3 85,-1.5 4,-0.2 2,-0.6 0.434 69.7 36.8-139.0 -56.6 53.4 38.9 33.4 61 76 A N B > -O 144 0D 13 3,-0.3 3,-0.8 83,-0.2 -1,-0.3 -0.935 65.8-155.9-109.8 113.9 52.8 38.4 29.7 62 77 A L T 3 S+ 0 0 35 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.734 91.4 41.1 -60.0 -25.7 53.1 34.8 28.6 63 78 A N T 3 S+ 0 0 117 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.524 110.5 56.9-103.6 -6.1 53.8 35.6 25.0 64 79 A Q S < S- 0 0 124 -3,-0.8 2,-0.6 79,-0.2 -3,-0.3 -0.903 84.4-105.0-128.6 155.9 56.1 38.6 25.3 65 80 A N + 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.664 31.3 178.7 -77.5 117.6 59.5 39.4 26.9 66 81 A N - 0 0 28 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.553 40.7-125.2 -94.6 -10.9 58.7 41.5 29.9 67 82 A G S S+ 0 0 52 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.704 95.4 80.1 74.0 21.7 62.4 41.8 30.9 68 83 A T + 0 0 15 -10,-0.2 40,-0.1 -11,-0.1 -9,-0.1 0.382 63.9 116.7-134.9 -4.1 61.6 40.4 34.4 69 84 A E - 0 0 26 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.313 38.7-169.6 -77.0 152.4 61.4 36.7 33.9 70 85 A Q E -M 57 0C 45 -13,-1.8 -13,-2.4 -2,-0.1 2,-0.5 -0.991 10.7-154.4-138.3 128.9 63.6 33.9 35.3 71 86 A Y E +M 56 0C 120 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.917 18.9 170.4-109.9 130.3 63.2 30.3 33.9 72 87 A V E -M 55 0C 9 -17,-2.6 -17,-3.3 -2,-0.5 -2,-0.0 -0.997 26.2-124.1-141.9 144.7 64.2 27.3 36.1 73 88 A G E -M 54 0C 32 -2,-0.3 27,-2.4 -19,-0.2 2,-0.6 -0.240 26.9-111.5 -79.6 172.2 63.8 23.6 35.9 74 89 A V E +N 99 0C 34 -21,-0.9 25,-0.2 25,-0.3 -21,-0.2 -0.935 28.4 179.2-110.6 118.9 62.2 21.2 38.4 75 90 A Q E + 0 0 118 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.843 67.9 12.2 -86.6 -38.7 64.5 18.9 40.2 76 91 A K E -N 98 0C 91 22,-1.7 22,-2.8 2,-0.0 2,-0.5 -1.000 57.3-154.0-145.4 144.6 62.0 17.1 42.5 77 92 A I E -N 97 0C 70 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.971 9.3-172.5-121.9 118.7 58.3 16.7 42.8 78 93 A V E -N 96 0C 28 18,-3.2 18,-2.8 -2,-0.5 2,-0.3 -0.905 7.0-170.5-114.4 104.1 56.7 15.9 46.2 79 94 A V E -N 95 0C 45 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.652 39.7 -91.6 -90.2 148.0 53.0 15.1 46.0 80 95 A H > - 0 0 18 14,-2.0 3,-1.9 12,-0.3 -1,-0.1 -0.383 36.1-126.7 -59.4 132.5 51.0 14.8 49.2 81 96 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.699 106.2 50.2 -54.8 -23.3 51.1 11.1 50.1 82 97 A Y T 3 S+ 0 0 163 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.436 78.7 128.3 -96.8 0.6 47.2 10.9 50.4 83 98 A W < - 0 0 32 -3,-1.9 2,-0.5 9,-0.2 9,-0.1 -0.358 38.4-168.7 -60.3 129.3 46.5 12.5 47.0 84 99 A N > - 0 0 73 7,-0.5 3,-2.6 3,-0.3 6,-0.2 -0.929 12.2-159.0-124.3 103.7 44.1 10.4 44.9 85 100 A T T 3 S+ 0 0 80 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.728 92.8 57.0 -53.3 -25.2 44.0 11.6 41.3 86 101 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.422 110.5 43.5 -88.5 0.9 40.6 9.9 40.9 87 102 A D X + 0 0 75 -3,-2.6 3,-1.7 4,-0.1 4,-0.3 -0.554 54.8 163.8-145.7 75.0 39.0 11.8 43.9 88 103 A V G > S+ 0 0 49 -3,-0.3 3,-1.4 1,-0.3 5,-0.2 0.815 79.0 65.1 -62.3 -27.9 39.8 15.5 43.9 89 104 A A G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.604 87.3 68.7 -70.4 -12.7 36.9 15.9 46.3 90 105 A A G < S- 0 0 21 -3,-1.7 -1,-0.3 1,-0.3 2,-0.2 0.668 101.5-141.5 -79.0 -16.9 38.8 13.9 48.9 91 106 A G < + 0 0 4 -3,-1.4 -7,-0.5 -4,-0.3 -1,-0.3 -0.554 66.3 119.9 94.0-158.5 41.3 16.7 49.2 92 107 A Y + 0 0 78 1,-0.2 2,-2.2 -2,-0.2 -12,-0.3 0.680 36.5 155.9 66.1 20.6 45.1 16.6 49.6 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.485 32.2 108.1 -80.3 75.5 45.5 18.5 46.3 94 109 A I + 0 0 0 -2,-2.2 -14,-2.0 -51,-0.3 2,-0.3 -0.993 38.7 176.7-152.1 144.6 48.9 20.0 47.1 95 110 A A E -LN 42 79C 0 -53,-2.4 -53,-2.5 -2,-0.3 2,-0.4 -0.990 18.9-141.4-148.1 151.1 52.4 19.4 45.9 96 111 A L E -LN 41 78C 0 -18,-2.8 -18,-3.2 -2,-0.3 2,-0.5 -0.959 13.3-157.2-118.2 134.5 55.9 20.9 46.5 97 112 A L E -LN 40 77C 0 -57,-2.8 -57,-2.2 -2,-0.4 2,-0.6 -0.946 7.2-148.6-114.6 123.8 58.4 21.3 43.7 98 113 A R E -LN 39 76C 79 -22,-2.8 -23,-2.5 -2,-0.5 -22,-1.7 -0.815 24.2-135.3 -90.4 121.5 62.1 21.6 44.4 99 114 A L E - 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