==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-MAY-05 2CV3 . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.KINOSHITA,T.TADA,T.KITATANI . 251 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 64.5 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 . 85 33.9 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 2.4 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 . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 4.8 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 2 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 . 7 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 0 1 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,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.6 36.6 -33.4 35.7 2 17 A V B 3 +A 182 0A 9 180,-2.5 180,-1.5 1,-0.2 134,-0.2 -0.724 360.0 14.1 -84.8 138.8 40.2 -34.1 34.3 3 18 A G T 3 S+ 0 0 42 132,-0.7 -1,-0.2 -2,-0.3 2,-0.1 0.825 97.5 143.9 70.5 27.9 41.3 -37.7 35.1 4 19 A G < - 0 0 23 -3,-0.7 2,-0.3 131,-0.1 144,-0.2 -0.276 43.9-139.1 -94.2 179.2 37.8 -38.9 36.0 5 20 A T E -B 147 0B 87 142,-2.0 142,-2.4 -2,-0.1 2,-0.2 -0.934 40.3 -90.2-130.1 153.7 35.9 -42.1 35.5 6 21 A E E -B 146 0B 110 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.465 45.1-129.2 -67.4 128.7 32.3 -42.3 34.5 7 22 A A - 0 0 3 138,-2.8 2,-0.2 -2,-0.2 138,-0.1 -0.450 22.6-106.7 -76.3 153.7 30.1 -42.4 37.6 8 23 A Q > - 0 0 133 1,-0.1 3,-1.4 -2,-0.1 4,-0.4 -0.518 38.8-108.1 -74.8 151.5 27.4 -45.0 38.0 9 24 A R T 3 S+ 0 0 115 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.662 112.8 37.5 -52.5 -29.6 24.0 -43.5 37.5 10 25 A N T 3 S+ 0 0 74 1,-0.1 -1,-0.2 2,-0.0 99,-0.0 0.190 88.7 92.9-114.7 16.3 22.9 -43.6 41.1 11 26 A S S < S+ 0 0 56 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.866 98.2 25.0 -75.1 -34.2 26.1 -42.9 42.9 12 27 A W > + 0 0 25 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.559 66.4 164.1-135.5 64.4 25.6 -39.1 43.3 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.4 0, 0.0 45,-0.4 0.572 73.0 61.5 -60.7 -14.0 21.8 -38.4 43.1 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.8 97,-0.1 98,-0.2 0.576 79.2 106.4 -87.6 -14.1 22.2 -34.9 44.5 15 30 A Q E < -J 33 0C 5 -3,-1.7 43,-0.4 18,-0.2 44,-0.4 -0.494 50.6-176.9 -64.1 131.5 24.3 -33.8 41.6 16 31 A I E -J 32 0C 0 16,-2.4 16,-0.9 -2,-0.2 2,-0.5 -0.857 25.8-127.9-126.1 166.1 22.4 -31.5 39.2 17 32 A S E -JK 31 56C 0 39,-2.0 39,-2.2 -2,-0.3 2,-0.6 -0.975 18.1-153.0-113.0 122.2 23.3 -29.8 35.9 18 33 A L E -JK 30 55C 0 12,-3.0 11,-2.7 -2,-0.5 12,-1.8 -0.858 23.2-176.8 -95.6 121.3 22.6 -26.0 35.8 19 34 A Q E -JK 28 54C 8 35,-2.7 35,-2.4 -2,-0.6 2,-0.3 -0.865 14.9-150.3-121.6 154.4 21.9 -25.0 32.2 20 35 A Y E -JK 27 53C 20 7,-2.3 7,-2.6 -2,-0.3 2,-0.3 -0.890 32.3 -95.8-124.7 155.0 21.2 -21.8 30.5 21 36 A R E +J 26 0C 127 31,-1.7 2,-0.4 -2,-0.3 31,-0.3 -0.506 46.8 176.1 -68.9 128.6 19.1 -20.9 27.5 22 37 A S E > -J 25 0C 54 3,-3.1 3,-2.8 -2,-0.3 2,-0.1 -0.982 57.3 -41.7-141.4 120.5 21.5 -20.7 24.5 23 38 A G T 3 S- 0 0 68 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.365 123.7 -28.2 58.2-129.3 20.2 -20.1 21.0 24 39 A S T 3 S+ 0 0 133 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.306 133.6 49.1 -97.8 8.3 17.1 -22.2 20.7 25 40 A S E < S-J 22 0C 72 -3,-2.8 -3,-3.1 -5,-0.0 2,-0.4 -0.529 85.4 -92.7-128.6-161.5 18.3 -24.8 23.2 26 41 A W E -J 21 0C 82 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.926 29.9-158.6-120.1 144.6 19.8 -25.2 26.7 27 42 A A E -J 20 0C 28 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.1 -0.986 20.9-120.9-129.1 130.4 23.5 -25.5 27.5 28 43 A H E +J 19 0C 11 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.446 41.4 157.6 -65.0 135.5 25.1 -27.0 30.6 29 44 A T E + 0 0 0 -11,-2.7 217,-2.5 1,-0.4 2,-0.3 0.621 57.3 4.9-131.5 -26.6 27.2 -24.4 32.3 30 45 A a E -J 18 0C 0 -12,-1.8 -12,-3.0 215,-0.2 -1,-0.4 -0.957 61.4-119.8-154.8 167.0 27.7 -25.4 35.9 31 46 A G E +J 17 0C 0 157,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.389 29.7 178.5-100.3-177.1 27.0 -28.2 38.4 32 47 A G E -J 16 0C 0 -16,-0.9 -16,-2.4 -2,-0.1 2,-0.4 -0.947 26.1-116.7-169.9 171.8 25.0 -27.8 41.6 33 48 A T E -JL 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.987 22.0-132.5-124.7 125.2 23.7 -29.9 44.6 34 49 A L E + L 0 40C 0 -20,-2.8 78,-3.4 -2,-0.4 6,-0.2 -0.630 33.9 166.4 -72.8 124.3 20.1 -30.4 45.3 35 50 A I E + 0 0 3 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.577 66.1 18.8-116.8 -14.0 19.6 -29.6 49.0 36 51 A R E > S- L 0 39C 92 3,-1.6 3,-1.8 74,-0.1 -1,-0.4 -0.939 91.0-101.5-144.6 156.1 15.8 -29.4 49.4 37 52 A Q T 3 S+ 0 0 81 -2,-0.3 66,-2.8 1,-0.3 64,-0.1 0.753 127.8 30.1 -55.2 -18.1 13.2 -30.8 46.9 38 53 A N T 3 S+ 0 0 26 64,-0.2 61,-2.2 62,-0.1 2,-0.4 0.138 110.3 70.9-129.9 29.7 13.1 -27.1 45.8 39 54 A W E < -LM 36 98C 4 -3,-1.8 -4,-2.4 59,-0.2 -3,-1.6 -0.998 52.2-166.1-145.5 135.0 16.5 -25.6 46.4 40 55 A V E -LM 34 97C 0 57,-2.4 57,-3.1 -2,-0.4 2,-0.5 -0.950 13.2-143.9-121.6 140.5 19.8 -26.1 44.7 41 56 A M E +LM 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.904 35.7 145.4-104.2 132.4 23.1 -24.9 46.0 42 57 A T E - M 0 95C 0 53,-2.6 53,-2.3 -2,-0.5 2,-0.3 -0.762 50.4 -66.9-147.6-171.4 25.7 -23.7 43.5 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.3 51,-0.3 4,-0.6 -0.725 33.5-133.7 -86.9 140.9 28.5 -21.1 43.1 44 59 A A H >> S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 4,-0.7 0.879 104.9 61.9 -58.6 -36.6 27.7 -17.4 43.0 45 60 A H H 34 S+ 0 0 11 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.663 97.2 59.2 -69.4 -11.4 29.9 -17.0 39.9 46 61 A a H <4 S+ 0 0 2 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.731 117.7 28.6 -81.2 -23.4 27.7 -19.3 38.0 47 62 A V H << S+ 0 0 7 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.204 85.9 111.3-127.1 17.6 24.5 -17.2 38.5 48 63 A D S < S+ 0 0 43 -4,-0.7 -1,-0.1 -5,-0.1 -3,-0.1 0.401 74.0 50.6 -64.4 -14.1 26.1 -13.7 38.8 49 64 A R S S- 0 0 97 -3,-0.1 -3,-0.0 -4,-0.1 -2,-0.0 0.037 98.7 -79.9-110.9-144.6 24.7 -12.5 35.6 50 65 A E S S+ 0 0 180 2,-0.1 -2,-0.1 -2,-0.0 -3,-0.0 0.031 71.6 132.4-117.7 23.1 21.6 -12.2 33.5 51 66 A L - 0 0 42 1,-0.1 2,-0.5 -31,-0.0 -31,-0.0 -0.288 58.4-117.3 -76.8 163.4 21.2 -15.7 32.0 52 67 A T - 0 0 78 -31,-0.3 -31,-1.7 -2,-0.0 2,-0.3 -0.899 39.3-160.8 -99.1 124.1 18.0 -17.8 32.0 53 68 A F E +K 20 0C 15 -2,-0.5 21,-1.3 21,-0.2 2,-0.3 -0.817 22.3 179.3-117.4 150.2 18.5 -21.0 34.0 54 69 A R E -KN 19 73C 53 -35,-2.4 -35,-2.7 -2,-0.3 2,-0.4 -0.958 22.1-137.9-135.7 153.5 16.9 -24.4 34.3 55 70 A V E -KN 18 72C 0 17,-3.3 17,-2.5 -2,-0.3 2,-0.5 -0.902 9.8-157.5-111.7 138.4 18.0 -27.2 36.6 56 71 A V E -KN 17 71C 0 -39,-2.2 -39,-2.0 -2,-0.4 3,-0.3 -0.977 11.9-176.3-118.6 120.6 18.2 -30.8 35.5 57 72 A V E + N 0 70C 1 13,-2.5 13,-1.9 -2,-0.5 52,-0.1 -0.744 69.8 33.7-105.9 164.0 18.0 -33.4 38.3 58 73 A G S S+ 0 0 5 50,-0.7 2,-0.4 -43,-0.4 10,-0.3 0.813 88.0 151.9 63.2 24.6 18.3 -37.2 37.6 59 74 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.771 15.6 149.9 -94.3 135.3 20.8 -36.2 34.7 60 75 A H + 0 0 8 -2,-0.4 85,-1.8 1,-0.3 2,-0.6 0.605 68.8 36.0-124.2 -51.4 23.5 -38.6 33.6 61 76 A N B > -P 144 0D 17 3,-0.3 3,-1.3 83,-0.2 -1,-0.3 -0.941 63.3-158.1-110.3 119.2 24.2 -38.0 29.9 62 77 A L T 3 S+ 0 0 36 81,-2.8 -1,-0.1 -2,-0.6 82,-0.1 0.772 93.0 42.8 -67.3 -24.4 23.9 -34.4 28.8 63 78 A N T 3 S+ 0 0 104 80,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.227 110.5 56.6-107.8 11.8 23.4 -35.3 25.2 64 79 A Q S < S- 0 0 131 -3,-1.3 2,-0.6 79,-0.2 -3,-0.3 -0.996 84.9-104.9-146.3 150.5 21.0 -38.3 25.5 65 80 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.596 31.3-174.5 -73.6 114.5 17.6 -39.0 27.0 66 81 A D - 0 0 26 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.631 34.4-128.3 -85.2 -16.6 18.4 -41.0 30.2 67 82 A G S S+ 0 0 65 1,-0.0 -2,-0.1 -3,-0.0 -8,-0.1 0.666 96.4 75.3 77.1 13.4 14.8 -41.7 31.0 68 83 A T + 0 0 26 -10,-0.3 -9,-0.1 -11,-0.1 40,-0.1 0.436 65.2 115.0-131.5 -6.3 15.4 -40.4 34.5 69 84 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.296 40.2-166.3 -74.7 149.5 15.6 -36.6 34.2 70 85 A Q E -N 57 0C 43 -13,-1.9 -13,-2.5 2,-0.0 2,-0.5 -0.991 13.6-153.4-126.6 134.9 13.3 -33.9 35.7 71 86 A Y E +N 56 0C 107 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 19.0 172.1-110.6 134.7 13.7 -30.4 34.2 72 87 A V E -N 55 0C 13 -17,-2.5 -17,-3.3 -2,-0.5 -2,-0.0 -0.997 27.2-121.2-148.1 139.7 12.7 -27.4 36.3 73 88 A G E -N 54 0C 31 -2,-0.4 27,-2.7 -19,-0.2 2,-0.7 -0.279 25.4-118.3 -75.0 163.2 13.0 -23.7 36.1 74 89 A V E -O 99 0C 31 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.910 28.6-179.8-103.5 111.5 14.8 -21.4 38.6 75 90 A Q E + 0 0 120 23,-2.2 2,-0.3 -2,-0.7 24,-0.2 0.852 65.8 10.3 -81.8 -35.3 12.3 -19.0 40.1 76 91 A K E -O 98 0C 91 22,-1.4 22,-2.8 2,-0.0 2,-0.5 -0.998 60.0-154.0-146.6 144.4 14.6 -17.0 42.4 77 92 A I E -O 97 0C 63 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.981 4.7-168.7-121.7 128.9 18.4 -16.8 43.0 78 93 A V E -O 96 0C 27 18,-2.9 18,-2.5 -2,-0.5 2,-0.3 -0.921 9.3-169.4-115.3 105.7 19.9 -15.8 46.3 79 94 A V E -O 95 0C 41 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.654 41.2 -88.9 -90.6 151.8 23.6 -15.0 45.9 80 95 A H > - 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