==== 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 14-FEB-02 1L0Z . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.A.TUCKER,S.PANJIKAR . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10608.0 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 . 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 . 18 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 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 . 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 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 11.1 -4.5 -1.6 2 2 A V B 3 +A 182 0A 10 180,-2.2 180,-1.9 1,-0.2 134,-0.1 -0.751 360.0 9.4 -90.9 135.5 14.6 -5.3 -2.8 3 3 A G T 3 S+ 0 0 38 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.811 97.6 141.9 63.9 33.8 15.8 -8.8 -2.0 4 4 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.331 45.2-133.9 -94.2 175.5 12.4 -10.0 -0.9 5 5 A T E -B 147 0B 88 142,-2.8 142,-2.4 -2,-0.1 2,-0.4 -0.908 39.0 -87.2-122.0 160.0 10.6 -13.3 -1.4 6 6 A E E -B 146 0B 109 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.536 45.4-128.4 -71.1 125.9 7.0 -13.7 -2.4 7 7 A A - 0 0 1 138,-2.6 2,-0.1 -2,-0.4 138,-0.1 -0.413 24.4-105.6 -66.6 144.1 4.7 -13.6 0.6 8 8 A Q > - 0 0 143 1,-0.1 3,-2.0 -2,-0.1 4,-0.5 -0.518 37.4-110.4 -63.0 144.6 2.2 -16.4 1.0 9 9 A R T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.712 113.8 34.8 -50.3 -35.1 -1.3 -15.1 0.2 10 10 A N T 3 S+ 0 0 85 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.249 90.2 94.3-109.3 17.0 -2.5 -15.2 3.8 11 11 A S S < S+ 0 0 48 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.894 96.0 26.4 -77.1 -33.9 0.7 -14.3 5.7 12 12 A W > + 0 0 25 -4,-0.5 3,-1.8 -3,-0.1 -1,-0.2 -0.594 66.2 164.6-129.8 69.4 0.1 -10.6 6.1 13 13 A P T 3 S+ 0 0 32 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.594 72.4 61.0 -71.7 -8.1 -3.7 -10.0 5.9 14 14 A S T 3 S+ 0 0 9 95,-0.2 20,-2.9 97,-0.2 2,-0.2 0.547 79.2 109.0 -90.6 -4.8 -3.5 -6.4 7.3 15 15 A Q E < -I 33 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.514 49.9-174.2 -69.9 130.1 -1.4 -5.2 4.4 16 16 A I E -I 32 0C 1 16,-2.5 16,-0.9 -2,-0.2 2,-0.5 -0.844 23.4-128.8-119.5 162.5 -3.2 -3.0 2.0 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.5 -0.960 17.7-152.5-104.2 125.5 -2.4 -1.4 -1.4 18 18 A L E -IJ 30 55C 0 12,-3.3 11,-3.2 -2,-0.5 12,-1.9 -0.885 23.3-178.3 -99.6 124.5 -3.0 2.4 -1.6 19 19 A Q E -IJ 28 54C 8 35,-2.9 35,-2.4 -2,-0.5 2,-0.3 -0.899 18.6-146.4-127.7 151.4 -3.8 3.3 -5.1 20 20 A Y E -IJ 27 53C 56 7,-2.4 7,-2.6 -2,-0.3 2,-0.2 -0.875 29.1-105.6-118.8 151.4 -4.5 6.6 -7.0 21 21 A R E +I 26 0C 143 31,-2.0 2,-0.3 -2,-0.3 31,-0.3 -0.545 37.0 175.3 -75.1 137.6 -6.8 7.1 -10.0 22 22 A S E > -I 25 0C 58 3,-2.9 3,-1.6 -2,-0.2 2,-0.2 -0.830 61.7 -52.5-144.9 96.2 -5.0 7.6 -13.3 23 23 A G T 3 S- 0 0 64 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 -0.532 119.4 -23.2 68.4-139.9 -7.2 7.8 -16.3 24 24 A S T 3 S+ 0 0 122 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.202 131.3 71.4 -86.0 10.8 -9.6 4.8 -16.4 25 25 A S E < S-I 22 0C 62 -3,-1.6 -3,-2.9 2,-0.0 2,-0.4 -0.666 72.4-127.5-123.4 179.4 -7.1 2.9 -14.3 26 26 A W E -I 21 0C 80 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.966 17.7-158.7-126.5 141.8 -5.7 2.7 -10.8 27 27 A A E -I 20 0C 31 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.1 -0.982 19.5-123.2-128.7 131.5 -2.1 2.7 -9.9 28 28 A H E +I 19 0C 17 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.430 37.9 159.6 -60.1 136.4 -0.4 1.4 -6.7 29 29 A T E + 0 0 21 -11,-3.2 2,-0.3 1,-0.4 157,-0.3 0.606 57.0 0.8-127.8 -27.6 1.6 4.1 -4.9 30 30 A a E -I 18 0C 5 -12,-1.9 -12,-3.3 157,-0.1 -1,-0.4 -0.964 60.3-115.9-152.8 165.6 2.0 3.0 -1.3 31 31 A G E +I 17 0C 0 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.419 29.2 177.3 -93.8 179.9 1.3 0.4 1.3 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.5 -2,-0.2 2,-0.4 -0.947 26.2-116.1-169.5 171.9 -0.7 0.7 4.4 33 33 A T E -IK 15 41C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.995 22.2-131.5-125.1 123.5 -2.0 -1.3 7.4 34 34 A L E + K 0 40C 0 -20,-2.9 78,-3.5 -2,-0.4 6,-0.2 -0.655 34.2 165.8 -72.2 122.7 -5.6 -2.0 8.1 35 35 A I E + 0 0 2 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.612 67.6 14.3-118.5 -18.9 -6.1 -1.1 11.8 36 36 A R E > S- K 0 39C 86 3,-1.8 3,-1.7 74,-0.1 -1,-0.4 -0.912 90.1-100.4-137.2 166.2 -10.0 -0.9 12.0 37 37 A Q T 3 S+ 0 0 85 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.773 127.4 28.5 -62.2 -20.0 -12.4 -2.3 9.4 38 38 A N T 3 S+ 0 0 50 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.135 112.5 76.5-123.2 26.3 -12.8 1.3 8.2 39 39 A W E < -KL 36 98C 7 -3,-1.7 -4,-2.4 59,-0.2 -3,-1.8 -0.994 52.0-169.6-139.7 133.7 -9.4 2.8 9.1 40 40 A V E -KL 34 97C 0 57,-2.7 57,-2.9 -2,-0.4 2,-0.5 -0.956 13.6-145.5-117.7 138.9 -6.0 2.4 7.4 41 41 A M E +KL 33 96C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.893 36.8 145.0-100.2 127.6 -2.6 3.6 8.8 42 42 A T E - L 0 95C 0 53,-2.8 53,-2.4 -2,-0.5 2,-0.4 -0.756 51.0 -70.2-145.1-170.9 -0.1 4.8 6.2 43 43 A A >> - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.752 31.3-135.0 -89.9 139.4 2.6 7.4 5.7 44 44 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.2 -1,-0.1 0.889 105.0 61.6 -55.8 -40.5 1.7 11.1 5.5 45 45 A H G >4 S+ 0 0 53 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.796 93.0 66.1 -62.3 -22.8 4.0 11.5 2.5 46 46 A a G <4 S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.3 3,-0.2 0.784 106.3 40.4 -66.8 -25.9 1.9 9.0 0.5 47 47 A V G << S+ 0 0 16 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.010 79.7 108.7-113.7 29.6 -1.1 11.4 0.5 48 48 A D < + 0 0 56 -3,-1.3 2,-0.2 2,-0.1 -1,-0.2 0.919 68.3 71.5 -69.9 -40.3 0.8 14.6 -0.1 49 49 A R S S- 0 0 121 -4,-0.3 2,-1.7 -3,-0.2 0, 0.0 -0.534 91.1-125.5 -74.7 143.6 -0.6 14.7 -3.6 50 50 A E + 0 0 199 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.380 59.6 139.8 -91.9 65.9 -4.2 15.6 -3.7 51 51 A L - 0 0 62 -2,-1.7 2,-0.6 1,-0.1 -29,-0.1 -0.372 63.6 -92.4 -95.1 172.1 -5.3 12.5 -5.8 52 52 A T - 0 0 85 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.4 -0.846 51.7-164.7 -81.0 122.9 -8.3 10.2 -5.7 53 53 A F E -J 20 0C 9 -2,-0.6 21,-2.2 21,-0.2 2,-0.3 -0.850 15.0-177.3-115.0 146.2 -7.2 7.3 -3.5 54 54 A R E -JM 19 73C 43 -35,-2.4 -35,-2.9 -2,-0.4 2,-0.4 -0.959 18.0-137.7-132.3 154.8 -8.6 3.9 -3.0 55 55 A V E -JM 18 72C 0 17,-3.4 17,-3.0 -2,-0.3 2,-0.5 -0.936 9.5-157.7-110.4 137.1 -7.5 1.1 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.973 10.7-174.0-113.3 119.6 -7.4 -2.5 -1.8 57 57 A V E S+ M 0 70C 1 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.740 71.1 33.6-100.8 159.0 -7.6 -5.1 1.0 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.5 10,-0.3 0.817 87.4 151.3 68.5 23.3 -7.1 -8.8 0.3 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.724 15.3 149.5 -92.3 139.5 -4.7 -7.9 -2.5 60 60 A H + 0 0 6 -2,-0.4 85,-1.9 1,-0.4 2,-0.5 0.602 69.3 35.6-129.9 -50.2 -1.9 -10.1 -3.5 61 61 A N B > -O 144 0D 13 3,-0.3 3,-0.9 83,-0.2 -1,-0.4 -0.961 60.6-160.5-114.5 116.9 -1.1 -9.6 -7.2 62 62 A L T 3 S+ 0 0 38 81,-2.8 82,-0.1 -2,-0.5 -1,-0.1 0.716 93.2 44.2 -68.2 -20.4 -1.5 -6.0 -8.4 63 63 A N T 3 S+ 0 0 103 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.283 111.9 49.6-105.6 -2.4 -1.8 -7.2 -12.1 64 64 A Q S < S- 0 0 125 -3,-0.9 2,-0.7 79,-0.2 -3,-0.3 -0.971 86.7 -98.1-142.0 152.7 -4.2 -10.2 -11.7 65 65 A N - 0 0 140 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.590 31.9-177.7 -72.5 114.5 -7.5 -11.1 -10.1 66 66 A D - 0 0 26 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.677 35.4-130.0 -84.4 -18.3 -6.8 -12.8 -6.9 67 67 A G S S+ 0 0 63 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.561 94.3 74.6 79.7 5.0 -10.4 -13.4 -6.1 68 68 A T + 0 0 25 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.421 63.6 121.9-127.4 -3.9 -10.0 -12.0 -2.6 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.389 38.9-166.2 -69.7 143.4 -9.8 -8.2 -3.2 70 70 A Q E -M 57 0C 47 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.6 -1.000 12.8-154.1-119.6 126.7 -12.1 -5.6 -1.7 71 71 A Y E +M 56 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.906 19.8 173.8-103.8 120.6 -11.8 -2.2 -3.3 72 72 A V E -M 55 0C 6 -17,-3.0 -17,-3.4 -2,-0.6 -2,-0.0 -0.982 26.4-124.9-134.9 134.2 -12.8 0.7 -1.1 73 73 A G E -M 54 0C 33 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.285 27.0-113.0 -72.9 156.3 -12.5 4.4 -1.6 74 74 A V E +N 99 0C 31 -21,-2.2 -21,-0.2 25,-0.2 25,-0.2 -0.827 34.0 178.3 -89.6 122.5 -10.8 6.7 0.8 75 75 A Q E + 0 0 108 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.781 63.6 13.7 -95.6 -35.0 -13.3 9.0 2.5 76 76 A K E -N 98 0C 83 22,-1.6 22,-2.5 2,-0.0 2,-0.5 -0.998 59.5-154.8-146.7 141.4 -11.3 11.1 4.9 77 77 A I E -N 97 0C 71 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.978 7.5-174.8-119.8 122.0 -7.6 11.7 5.3 78 78 A V E -N 96 0C 31 18,-3.1 18,-2.9 -2,-0.5 2,-0.3 -0.921 10.6-169.3-117.6 102.1 -6.1 12.7 8.7 79 79 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.683 38.8 -91.3 -86.3 145.8 -2.4 13.5 8.4 80 80 A H > - 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