==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-06 2DE9 . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.KINOSHITA,T.TADA . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.3 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 . 78 32.5 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 . 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 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 . 4 2 2 6 1 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 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 1 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 -11.2 -4.4 1.5 2 2 A V B 3 +A 182 0A 10 180,-2.5 180,-1.8 1,-0.2 134,-0.1 -0.763 360.0 10.9 -93.4 137.7 -14.7 -5.2 2.7 3 3 A G T 3 S+ 0 0 39 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.801 98.3 137.9 68.1 28.3 -16.0 -8.7 2.0 4 4 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.318 46.6-133.3 -97.1-177.7 -12.7 -10.0 0.9 5 5 A T E -B 147 0B 86 142,-2.6 142,-2.3 -2,-0.1 2,-0.4 -0.901 38.7 -85.9-130.3 158.9 -10.8 -13.2 1.5 6 6 A E E -B 146 0B 115 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.533 45.9-131.3 -71.0 125.9 -7.2 -13.7 2.5 7 7 A A - 0 0 1 138,-2.5 138,-0.1 -2,-0.4 -1,-0.1 -0.447 24.0-105.2 -75.5 147.8 -5.0 -13.6 -0.6 8 8 A Q > - 0 0 139 1,-0.1 3,-1.4 -2,-0.1 4,-0.5 -0.461 38.0-113.2 -66.1 149.8 -2.4 -16.4 -1.0 9 9 A R T 3 S+ 0 0 113 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.604 112.2 40.4 -65.6 -7.9 1.0 -14.8 -0.2 10 10 A N T 3 S+ 0 0 81 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.238 88.7 90.1-123.5 16.6 2.3 -15.2 -3.8 11 11 A S S < S+ 0 0 49 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.879 98.0 28.0 -78.3 -39.5 -0.8 -14.3 -5.8 12 12 A W > + 0 0 22 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.564 66.2 164.4-124.1 69.3 -0.2 -10.6 -6.1 13 13 A P T 3 S+ 0 0 31 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.574 72.7 62.2 -62.9 -11.0 3.5 -10.0 -6.0 14 14 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.582 78.9 107.1 -90.8 -10.2 3.3 -6.4 -7.3 15 15 A Q E < -I 33 0C 5 -3,-1.8 43,-0.4 18,-0.2 44,-0.4 -0.474 49.6-176.2 -69.6 135.3 1.2 -5.2 -4.4 16 16 A I E -I 32 0C 1 16,-2.2 16,-0.8 -2,-0.2 2,-0.6 -0.910 25.4-126.4-131.9 158.2 3.1 -3.0 -2.0 17 17 A S E -IJ 31 56C 0 39,-2.1 39,-2.0 -2,-0.3 2,-0.6 -0.933 18.6-152.7-106.7 120.9 2.3 -1.3 1.4 18 18 A L E +IJ 30 55C 0 12,-3.1 11,-2.7 -2,-0.6 12,-1.7 -0.860 24.9 179.1 -94.2 121.3 2.9 2.4 1.4 19 19 A Q E -IJ 28 54C 10 35,-2.9 35,-2.4 -2,-0.6 2,-0.4 -0.864 19.3-147.6-125.0 157.9 3.7 3.5 5.0 20 20 A Y E -IJ 27 53C 56 7,-2.3 7,-2.4 -2,-0.3 2,-0.4 -0.929 31.7-100.3-124.4 151.2 4.5 6.6 6.8 21 21 A R E -I 26 0C 124 31,-2.4 2,-0.5 -2,-0.4 31,-0.3 -0.531 35.3-179.8 -71.6 122.7 6.7 7.2 9.9 22 22 A S - 0 0 67 3,-2.6 2,-0.6 -2,-0.4 3,-0.5 -0.782 59.9 -70.4-123.7 80.2 4.5 7.6 13.0 23 23 A G S S- 0 0 56 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.576 116.5 -0.5 78.7-117.3 7.1 8.2 15.7 24 24 A S S S+ 0 0 127 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.2 0.111 135.6 31.1 -96.5 20.1 9.2 5.2 16.6 25 25 A S S S- 0 0 73 -3,-0.5 -3,-2.6 -5,-0.0 2,-0.4 -0.873 80.2-100.5-156.1-171.0 7.3 3.1 14.1 26 26 A W E -I 21 0C 90 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.958 20.2-155.2-128.2 146.2 5.5 3.0 10.8 27 27 A A E -I 20 0C 30 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.2 -0.966 22.1-120.7-124.6 134.5 1.8 2.9 9.8 28 28 A H E +I 19 0C 17 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.497 39.4 159.9 -68.5 135.7 0.2 1.5 6.7 29 29 A T E - 0 0 33 -11,-2.7 2,-0.3 1,-0.4 157,-0.2 0.608 56.1 -0.2-130.2 -28.5 -1.7 4.2 4.8 30 30 A a E -I 18 0C 5 -12,-1.7 -12,-3.1 157,-0.1 -1,-0.4 -0.961 60.1-115.2-155.8 170.0 -2.1 3.1 1.2 31 31 A G E +I 17 0C 0 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.414 30.2 178.8 -98.9-178.5 -1.5 0.4 -1.3 32 32 A G E -I 16 0C 0 -16,-0.8 -16,-2.2 -2,-0.2 2,-0.4 -0.959 25.8-117.4-172.5 167.4 0.7 0.7 -4.5 33 33 A T E -IK 15 41C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.5 -0.986 21.3-132.8-123.4 127.1 1.9 -1.3 -7.4 34 34 A L E + K 0 40C 0 -20,-2.7 78,-3.2 -2,-0.4 6,-0.2 -0.671 35.0 163.8 -76.2 120.6 5.6 -2.0 -8.1 35 35 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.563 66.4 18.9-114.4 -13.8 6.1 -1.2 -11.7 36 36 A R E > S- K 0 39C 92 3,-1.7 3,-1.5 74,-0.1 -1,-0.3 -0.938 88.9-103.3-147.1 157.4 9.9 -1.0 -11.9 37 37 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.775 127.4 27.2 -59.3 -20.1 12.4 -2.3 -9.4 38 38 A N T 3 S+ 0 0 52 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.111 113.2 76.3-126.8 20.5 12.7 1.3 -8.2 39 39 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.5 59,-0.2 -3,-1.7 -0.994 51.4-169.9-138.2 134.7 9.3 2.7 -9.1 40 40 A V E -KL 34 97C 0 57,-2.3 57,-2.8 -2,-0.4 2,-0.5 -0.956 13.9-145.1-123.5 138.2 5.9 2.4 -7.5 41 41 A M E +KL 33 96C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.2 -0.903 36.5 145.8-103.3 126.6 2.6 3.5 -8.9 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.3 -0.724 50.6 -69.2-143.1-170.0 0.1 4.8 -6.3 43 43 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.4 -0.735 33.4-133.7 -92.7 141.7 -2.7 7.3 -5.8 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.892 105.2 59.0 -59.6 -40.7 -1.8 11.0 -5.7 45 45 A H G > S+ 0 0 58 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.749 92.5 68.6 -63.6 -20.4 -4.0 11.6 -2.6 46 46 A a G < S+ 0 0 8 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.741 107.5 38.2 -69.2 -22.5 -2.0 9.0 -0.7 47 47 A V G < S+ 0 0 13 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.082 78.9 106.9-116.6 24.0 1.0 11.4 -0.7 48 48 A D < + 0 0 58 -3,-1.1 2,-0.1 2,-0.1 -1,-0.1 0.869 67.3 84.7 -67.7 -33.6 -0.8 14.8 -0.3 49 49 A R S S- 0 0 135 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.427 87.3-124.3 -73.1 143.0 0.6 14.8 3.3 50 50 A E + 0 0 188 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.326 66.0 135.4 -81.1 55.2 4.2 16.0 4.0 51 51 A L - 0 0 62 -2,-1.9 2,-0.8 -4,-0.1 -29,-0.1 -0.444 65.6-102.6-102.2 174.9 5.1 12.7 5.7 52 52 A T - 0 0 67 -31,-0.3 -31,-2.4 -2,-0.1 2,-0.3 -0.874 47.3-166.5 -98.6 107.4 8.1 10.4 5.6 53 53 A F E -J 20 0C 12 -2,-0.8 21,-1.6 -33,-0.2 2,-0.3 -0.677 14.2-179.7 -99.6 151.7 7.0 7.5 3.4 54 54 A R E -JM 19 73C 47 -35,-2.4 -35,-2.9 -2,-0.3 2,-0.4 -0.954 19.2-134.5-142.8 156.3 8.5 4.0 2.9 55 55 A V E -JM 18 72C 0 17,-3.3 17,-2.4 -2,-0.3 2,-0.5 -0.927 9.2-158.7-117.3 139.8 7.5 1.1 0.7 56 56 A V E -JM 17 71C 0 -39,-2.0 -39,-2.1 -2,-0.4 3,-0.3 -0.981 10.9-174.7-120.7 120.1 7.3 -2.5 1.8 57 57 A V E S+ M 0 70C 1 13,-2.2 13,-1.9 -2,-0.5 52,-0.1 -0.744 71.2 35.1-107.0 160.2 7.4 -5.2 -1.0 58 58 A G S S+ 0 0 5 50,-0.7 2,-0.3 -43,-0.4 10,-0.3 0.766 87.7 149.3 66.6 22.9 7.0 -8.9 -0.2 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.715 13.8 146.4 -92.6 138.4 4.6 -7.8 2.5 60 60 A H + 0 0 7 -2,-0.3 85,-1.9 1,-0.3 2,-0.5 0.538 69.5 38.5-134.6 -45.6 1.6 -10.0 3.4 61 61 A N B -O 144 0D 24 3,-0.3 3,-0.5 83,-0.2 -1,-0.3 -0.958 60.8-161.7-116.3 114.5 1.0 -9.6 7.1 62 62 A L S S+ 0 0 39 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.700 93.1 42.0 -68.3 -18.4 1.4 -6.0 8.5 63 63 A N S S+ 0 0 97 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.552 111.3 52.9-107.3 -4.2 1.7 -7.3 12.0 64 64 A Q S S- 0 0 127 -3,-0.5 2,-0.8 79,-0.2 -3,-0.3 -0.868 85.7 -99.7-130.3 161.8 4.0 -10.4 11.6 65 65 A N + 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.687 32.5 179.1 -81.7 109.6 7.4 -11.3 10.2 66 66 A D - 0 0 26 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.678 36.4-132.9 -82.5 -19.4 6.6 -12.9 6.8 67 67 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.630 91.3 77.8 76.1 14.6 10.3 -13.4 6.2 68 68 A T + 0 0 29 -10,-0.3 -9,-0.1 -11,-0.0 40,-0.1 0.360 63.3 122.5-132.6 -0.5 9.9 -12.1 2.7 69 69 A E - 0 0 29 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.300 38.1-167.5 -72.5 149.9 9.7 -8.3 3.2 70 70 A Q E -M 57 0C 45 -13,-1.9 -13,-2.2 -2,-0.1 2,-0.5 -0.993 10.8-155.6-135.8 122.5 12.0 -5.7 1.8 71 71 A Y E +M 56 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.904 19.6 167.6-105.6 127.3 11.8 -2.2 3.2 72 72 A V E -M 55 0C 8 -17,-2.4 -17,-3.3 -2,-0.5 2,-0.1 -0.999 28.8-122.0-142.4 139.8 12.8 0.8 1.1 73 73 A G E -M 54 0C 31 -2,-0.4 27,-3.0 -19,-0.2 2,-0.7 -0.330 28.1-110.0 -77.4 159.5 12.4 4.6 1.4 74 74 A V E -N 99 0C 31 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.819 31.1-177.4 -90.4 116.4 10.8 6.8 -1.1 75 75 A Q E + 0 0 111 23,-2.5 2,-0.3 -2,-0.7 24,-0.2 0.762 66.8 7.1 -85.0 -29.3 13.4 9.0 -2.7 76 76 A K E -N 98 0C 77 22,-1.4 22,-2.7 2,-0.0 2,-0.5 -0.978 59.6-150.3-157.3 141.8 11.2 11.1 -4.9 77 77 A I E -N 97 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.960 8.1-173.2-118.2 126.5 7.5 11.7 -5.5 78 78 A V E -N 96 0C 29 18,-2.8 18,-2.5 -2,-0.5 2,-0.3 -0.904 9.4-170.3-121.4 100.6 6.0 12.7 -8.8 79 79 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.637 40.4 -91.1 -87.3 146.1 2.3 13.5 -8.6 80 80 A H > - 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