==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-06 2FO9 . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MATTOS,C.R.BELLAMACINA,E.PEISACH,A.PEREIRA,D.VITKUP, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 62.9 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 . 77 32.1 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 . 21 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 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 . 3 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 0.000 360.0 360.0 360.0 123.0 40.4 33.7 36.1 2 17 A V B 3 +A 182 0A 8 180,-2.2 180,-1.5 1,-0.2 134,-0.2 -0.759 360.0 10.8 -93.9 138.5 36.9 34.5 34.9 3 18 A G T 3 S+ 0 0 40 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.809 100.8 124.6 67.8 30.3 35.6 38.1 35.5 4 19 A G < - 0 0 29 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.422 51.5-129.0-109.9-172.8 38.9 39.4 36.6 5 20 A T E -B 147 0B 87 142,-2.7 142,-2.5 -2,-0.1 2,-0.2 -0.924 38.1 -79.2-136.2 160.6 41.2 42.3 35.5 6 21 A E E -B 146 0B 104 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.417 47.8-130.2 -63.5 125.8 44.9 42.6 34.6 7 22 A A - 0 0 0 138,-2.6 3,-0.1 -2,-0.2 138,-0.1 -0.409 33.6 -92.5 -72.9 153.6 47.0 42.7 37.7 8 23 A Q > - 0 0 152 1,-0.2 3,-2.2 -2,-0.1 4,-0.3 -0.364 63.0 -68.8 -67.0 149.1 49.6 45.5 37.9 9 24 A R T 3 S- 0 0 126 1,-0.3 -1,-0.2 2,-0.1 51,-0.1 -0.092 112.6 -21.9 -39.0 116.1 53.1 44.7 36.6 10 25 A N T 3 S+ 0 0 22 49,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.805 90.4 142.5 43.6 42.7 54.6 42.2 39.0 11 26 A S S < S+ 0 0 45 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.516 70.4 48.2 -87.3 -6.6 52.2 43.2 41.9 12 27 A W S > S+ 0 0 32 -4,-0.3 3,-1.8 96,-0.1 -1,-0.3 -0.651 73.5 175.6-132.1 71.9 52.0 39.6 43.1 13 28 A P T 3 S+ 0 0 40 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.490 72.1 59.1 -57.2 -14.1 55.7 38.7 43.2 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.4 97,-0.1 2,-0.3 0.541 80.8 107.9 -95.3 -7.9 55.3 35.2 44.7 15 30 A Q E < -I 33 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.518 50.2-174.4 -71.9 128.3 53.1 34.1 41.8 16 31 A I E -I 32 0C 1 16,-2.2 16,-0.8 -2,-0.3 2,-0.5 -0.829 22.8-130.2-122.8 163.2 54.8 31.6 39.4 17 32 A S E -IJ 31 56C 0 39,-1.8 39,-2.1 -2,-0.3 2,-0.6 -0.964 16.0-153.7-114.0 124.1 53.9 30.0 36.1 18 33 A L E +IJ 30 55C 0 12,-3.0 11,-2.7 -2,-0.5 12,-1.7 -0.879 23.4 176.7 -97.9 123.6 54.3 26.2 35.9 19 34 A Q E -IJ 28 54C 9 35,-2.4 35,-2.0 -2,-0.6 2,-0.3 -0.898 19.0-149.3-129.4 157.0 54.9 25.0 32.3 20 35 A Y E -IJ 27 53C 71 7,-2.2 7,-2.3 -2,-0.3 2,-0.4 -0.919 30.7-101.1-124.9 152.2 55.7 21.8 30.5 21 36 A R E -I 26 0C 121 31,-1.7 2,-0.8 -2,-0.3 31,-0.3 -0.584 28.5-166.4 -76.9 123.5 57.7 21.1 27.4 22 37 A S E > -I 25 0C 42 3,-4.1 3,-1.8 -2,-0.4 2,-1.2 -0.814 62.9 -66.2-109.9 88.1 55.5 20.5 24.3 23 38 A G T 3 S- 0 0 61 -2,-0.8 -2,-0.1 1,-0.3 3,-0.0 -0.547 122.2 -10.7 70.4 -98.7 57.8 19.1 21.7 24 39 A S T 3 S+ 0 0 127 -2,-1.2 -1,-0.3 -3,-0.0 2,-0.2 0.305 132.0 55.1-116.0 6.7 60.1 22.1 21.2 25 40 A S E < S-I 22 0C 70 -3,-1.8 -3,-4.1 -5,-0.0 2,-0.4 -0.786 76.5-114.4-131.5 175.0 58.2 24.8 23.0 26 41 A W E -I 21 0C 88 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.889 20.3-162.8-116.7 146.8 56.7 25.3 26.5 27 42 A A E -I 20 0C 30 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.1 -0.992 22.2-120.9-131.9 133.8 53.1 25.7 27.5 28 43 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.428 38.3 159.6 -66.3 140.5 51.6 27.1 30.7 29 44 A T E + 0 0 49 -11,-2.7 2,-0.3 1,-0.4 157,-0.2 0.578 56.7 3.7-134.5 -29.2 49.5 24.6 32.7 30 45 A a E -I 18 0C 5 -12,-1.7 -12,-3.0 157,-0.1 -1,-0.4 -0.958 59.2-119.6-154.7 169.7 49.3 25.7 36.3 31 46 A G E +I 17 0C 1 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.402 29.9 174.1-103.0-177.1 50.1 28.4 38.8 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-2.2 -2,-0.1 2,-0.4 -0.976 26.9-111.5-175.9 173.8 52.1 28.2 42.0 33 48 A T E -IK 15 41C 0 8,-2.6 8,-3.2 -2,-0.3 2,-0.6 -0.989 20.3-133.1-129.7 128.5 53.6 30.1 44.9 34 49 A L E + K 0 40C 0 -20,-2.4 78,-3.0 -2,-0.4 6,-0.2 -0.674 33.1 164.6 -76.9 115.3 57.3 30.7 45.6 35 50 A I E + 0 0 7 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.603 67.1 13.8-108.4 -15.6 57.8 29.9 49.2 36 51 A R E > S- K 0 39C 96 3,-1.6 3,-1.1 74,-0.1 -1,-0.3 -0.937 88.1 -99.2-148.7 162.0 61.6 29.6 49.3 37 52 A Q T 3 S+ 0 0 94 -2,-0.3 66,-2.1 1,-0.3 64,-0.1 0.813 127.6 25.6 -57.1 -27.5 64.3 30.6 46.8 38 53 A N T 3 S+ 0 0 55 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.186 112.5 77.1-122.3 17.7 64.4 27.0 45.7 39 54 A W E < -KL 36 98C 3 -3,-1.1 -4,-2.0 59,-0.2 -3,-1.6 -0.994 51.3-169.9-133.4 134.7 60.9 25.7 46.6 40 55 A V E -KL 34 97C 0 57,-2.1 57,-2.9 -2,-0.4 2,-0.5 -0.961 12.7-146.1-123.0 138.5 57.5 26.2 44.9 41 56 A M E +KL 33 96C 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.2 -0.894 35.9 140.7-104.2 130.4 54.1 25.3 46.3 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.6 -2,-0.5 2,-0.3 -0.796 52.5 -66.1-150.5-171.5 51.4 24.1 43.8 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.5 -0.679 33.4-133.6 -89.8 145.2 48.6 21.6 43.4 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.836 105.0 61.3 -64.2 -32.8 49.4 17.8 43.2 45 60 A H G 34 S+ 0 0 64 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.629 94.5 64.1 -72.4 -8.9 47.1 17.4 40.2 46 61 A a G <4 S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.734 111.7 34.7 -80.9 -24.6 49.3 19.8 38.3 47 62 A V S << S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 -0.033 84.7 101.8-121.5 30.3 52.2 17.4 38.5 48 63 A D + 0 0 52 -3,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.819 70.0 76.0 -80.2 -33.1 50.5 14.0 38.3 49 64 A R S S- 0 0 193 -4,-0.3 2,-1.5 -3,-0.1 0, 0.0 -0.549 90.9-117.9 -80.9 144.2 51.4 13.6 34.7 50 65 A E + 0 0 195 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.627 63.5 130.8 -86.2 86.8 55.0 12.6 33.9 51 66 A L - 0 0 70 -2,-1.5 2,-0.6 -4,-0.0 -31,-0.0 -0.730 65.0 -93.6-126.1 174.9 56.1 15.6 31.8 52 67 A T - 0 0 70 -31,-0.3 -31,-1.7 -2,-0.2 2,-0.3 -0.853 47.8-162.9 -95.3 122.3 59.2 17.9 31.9 53 68 A F E -J 20 0C 14 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.742 15.2-177.1-109.2 155.6 58.4 21.0 34.0 54 69 A R E -JM 19 73C 55 -35,-2.0 -35,-2.4 -2,-0.3 2,-0.4 -0.986 18.3-136.7-145.3 148.4 59.9 24.5 34.4 55 70 A V E -JM 18 72C 0 17,-3.4 17,-2.5 -2,-0.3 2,-0.5 -0.908 10.3-160.0-111.7 136.2 59.1 27.4 36.6 56 71 A V E -JM 17 71C 0 -39,-2.1 -39,-1.8 -2,-0.4 3,-0.4 -0.964 10.7-171.9-116.8 119.2 59.0 31.0 35.5 57 72 A V E + M 0 70C 2 13,-2.4 13,-1.7 -2,-0.5 -41,-0.1 -0.751 67.4 29.4-107.6 157.8 59.2 33.7 38.2 58 73 A G S S+ 0 0 3 -43,-0.5 -1,-0.2 50,-0.3 10,-0.2 0.731 87.9 155.9 68.7 21.9 58.7 37.5 37.7 59 74 A E + 0 0 12 -44,-0.4 -1,-0.2 -3,-0.4 -49,-0.2 -0.484 18.3 148.2 -84.3 150.2 56.3 36.6 34.9 60 75 A H + 0 0 3 4,-0.2 85,-1.4 1,-0.2 2,-0.7 0.423 69.7 37.6-141.2 -56.6 53.5 38.9 33.6 61 76 A N B > -O 144 0D 16 3,-0.3 3,-1.6 83,-0.2 83,-0.2 -0.911 63.6-160.4-110.1 108.0 52.9 38.4 29.9 62 77 A L T 3 S+ 0 0 39 81,-2.6 -1,-0.1 -2,-0.7 82,-0.1 0.702 88.2 50.2 -58.2 -24.1 53.3 34.8 28.8 63 78 A N T 3 S+ 0 0 115 80,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.342 111.1 40.1-101.2 6.6 53.8 35.6 25.2 64 79 A Q S < S- 0 0 112 -3,-1.6 2,-0.5 79,-0.2 -3,-0.3 -0.999 84.4 -98.9-154.3 152.6 56.5 38.3 25.4 65 80 A N + 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.581 30.2 180.0 -73.3 120.7 59.7 39.1 27.2 66 81 A N - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.544 43.7-120.3 -95.8 -11.1 58.9 41.6 30.0 67 82 A G S S+ 0 0 66 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.730 97.4 81.6 78.3 23.3 62.5 41.8 31.1 68 83 A T + 0 0 15 -10,-0.2 2,-0.1 -11,-0.1 40,-0.1 0.378 64.0 113.0-134.8 -4.1 61.7 40.5 34.6 69 84 A E - 0 0 29 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.353 41.5-167.1 -80.5 153.8 61.5 36.8 34.1 70 85 A Q E -M 57 0C 40 -13,-1.7 -13,-2.4 -2,-0.1 2,-0.5 -0.992 12.2-153.8-136.2 125.0 63.8 34.0 35.5 71 86 A Y E +M 56 0C 94 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.895 20.6 169.7-106.0 129.4 63.4 30.5 34.0 72 87 A V E -M 55 0C 13 -17,-2.5 -17,-3.4 -2,-0.5 2,-0.1 -0.994 26.9-122.6-141.5 147.1 64.4 27.5 36.1 73 88 A G E -M 54 0C 29 -2,-0.3 27,-2.4 -19,-0.2 2,-0.6 -0.320 26.3-112.7 -83.7 168.6 64.0 23.8 35.9 74 89 A V E +N 99 0C 32 -21,-1.2 25,-0.2 25,-0.2 -21,-0.2 -0.908 29.2 177.6-106.6 120.4 62.3 21.5 38.4 75 90 A Q E + 0 0 114 23,-2.2 2,-0.3 -2,-0.6 24,-0.2 0.889 65.9 14.3 -87.6 -46.3 64.6 19.1 40.2 76 91 A K E -N 98 0C 106 22,-1.8 22,-2.5 2,-0.0 2,-0.5 -0.991 57.0-155.7-138.1 144.3 62.3 17.2 42.6 77 92 A I E -N 97 0C 60 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.975 8.9-172.9-120.9 120.0 58.5 16.8 43.0 78 93 A V E -N 96 0C 28 18,-3.0 18,-2.7 -2,-0.5 2,-0.3 -0.907 6.2-170.3-117.3 104.3 57.0 15.9 46.4 79 94 A V E -N 95 0C 42 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.664 40.0 -93.4 -90.9 146.1 53.3 15.2 46.3 80 95 A H > - 0 0 21 14,-2.1 3,-2.1 12,-0.3 -1,-0.1 -0.398 37.9-125.9 -58.0 130.9 51.4 14.9 49.5 81 96 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.576 106.0 53.6 -57.1 -12.0 51.5 11.1 50.3 82 97 A Y T 3 S+ 0 0 164 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.391 77.7 126.8-104.1 2.2 47.7 10.9 50.6 83 98 A W < - 0 0 32 -3,-2.1 2,-0.5 9,-0.1 9,-0.1 -0.386 40.9-165.5 -63.3 133.8 46.9 12.5 47.3 84 99 A N > - 0 0 72 7,-0.5 3,-2.5 3,-0.3 6,-0.2 -0.949 13.5-155.3-126.2 107.3 44.6 10.4 45.1 85 100 A T T 3 S+ 0 0 86 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.766 95.9 52.3 -50.5 -30.6 44.4 11.4 41.4 86 101 A D T 3 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.361 111.7 44.6 -91.5 5.4 41.0 9.9 41.1 87 102 A D X + 0 0 73 -3,-2.5 3,-2.3 4,-0.1 4,-0.3 -0.434 51.9 158.3-147.4 66.8 39.5 11.7 44.1 88 103 A V G > S+ 0 0 46 -3,-0.4 3,-1.9 1,-0.3 5,-0.2 0.837 79.5 66.5 -59.3 -28.6 40.4 15.4 44.1 89 104 A A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.674 87.8 67.7 -65.5 -16.7 37.3 15.7 46.3 90 105 A A G < S- 0 0 22 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.651 103.1-139.1 -77.3 -15.1 39.2 13.7 48.9 91 106 A G < + 0 0 3 -3,-1.9 -7,-0.5 -4,-0.3 -1,-0.3 -0.517 67.7 116.5 92.3-161.4 41.6 16.6 49.4 92 107 A Y + 0 0 84 1,-0.2 2,-1.9 -2,-0.2 -12,-0.3 0.752 37.6 156.0 64.8 25.7 45.4 16.6 49.8 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.554 32.3 107.5 -84.8 76.6 45.8 18.4 46.5 94 109 A I + 0 0 0 -2,-1.9 -14,-2.1 -51,-0.3 2,-0.3 -0.990 38.8 176.7-153.9 143.3 49.2 19.9 47.2 95 110 A A E -LN 42 79C 0 -53,-2.6 -53,-2.6 -2,-0.3 2,-0.4 -0.995 19.1-140.7-148.3 150.4 52.7 19.4 46.1 96 111 A L E -LN 41 78C 0 -18,-2.7 -18,-3.0 -2,-0.3 2,-0.5 -0.945 13.6-158.2-115.3 133.0 56.2 21.0 46.6 97 112 A L E -LN 40 77C 0 -57,-2.9 -57,-2.1 -2,-0.4 2,-0.6 -0.940 7.1-149.6-114.9 121.4 58.7 21.4 43.8 98 113 A R E -LN 39 76C 57 -22,-2.5 -23,-2.2 -2,-0.5 -22,-1.8 -0.784 24.2-134.8 -87.0 124.4 62.4 21.8 44.6 99 114 A L E - 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