==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-02 1LKB . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.S.WEISS,S.PANJIKAR,E.NOWAK,P.A.TUCKER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10770.0 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 . 83 34.6 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 . 30 12.5 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 . 6 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.3 11.2 -4.5 -1.7 2 2 A V B 3 +A 182 0A 10 180,-2.3 180,-1.9 1,-0.2 134,-0.1 -0.780 360.0 10.8 -96.5 138.2 14.7 -5.3 -2.9 3 3 A G T 3 S+ 0 0 44 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.789 97.6 140.4 66.6 32.5 16.0 -8.8 -2.2 4 4 A G < - 0 0 22 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.268 46.6-132.0 -97.0 179.4 12.7 -10.1 -1.0 5 5 A T E -B 147 0B 89 142,-2.4 142,-2.4 -2,-0.1 2,-0.2 -0.951 38.5 -88.5-124.4 159.7 10.8 -13.3 -1.5 6 6 A E E -B 146 0B 106 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.446 45.5-127.9 -70.6 128.6 7.2 -13.8 -2.6 7 7 A A - 0 0 2 138,-2.5 2,-0.1 -2,-0.2 138,-0.1 -0.486 23.6-107.2 -73.0 144.7 4.9 -13.7 0.4 8 8 A Q > - 0 0 135 -2,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.454 37.6-108.3 -66.1 149.8 2.4 -16.5 0.8 9 9 A R T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.735 113.9 35.2 -51.3 -35.4 -1.1 -15.3 0.1 10 10 A N T 3 S+ 0 0 95 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.262 89.1 96.3-109.2 18.8 -2.3 -15.4 3.7 11 11 A S S < S+ 0 0 50 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.872 94.5 24.9 -73.1 -37.9 0.8 -14.4 5.6 12 12 A W > + 0 0 24 -4,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.595 64.9 165.6-130.3 70.7 0.2 -10.6 6.1 13 13 A P T 3 S+ 0 0 33 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.591 73.1 61.5 -69.8 -8.2 -3.6 -10.0 5.9 14 14 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.588 79.3 106.6 -92.5 -9.5 -3.3 -6.5 7.3 15 15 A Q E < -I 33 0C 5 -3,-1.7 43,-0.4 18,-0.2 44,-0.4 -0.448 50.8-175.3 -68.4 131.1 -1.2 -5.3 4.4 16 16 A I E -I 32 0C 1 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.841 24.6-126.8-122.9 162.1 -3.1 -3.0 2.0 17 17 A S E -IJ 31 56C 0 39,-2.0 39,-2.3 -2,-0.3 2,-0.6 -0.968 18.1-152.8-108.1 123.5 -2.3 -1.4 -1.4 18 18 A L E -IJ 30 55C 0 12,-3.2 11,-3.0 -2,-0.5 12,-1.9 -0.885 24.5-180.0 -99.4 118.9 -2.9 2.4 -1.5 19 19 A Q E -IJ 28 54C 8 35,-2.8 35,-2.4 -2,-0.6 2,-0.3 -0.885 18.7-147.3-123.3 155.1 -3.7 3.4 -5.1 20 20 A Y E -IJ 27 53C 54 7,-2.4 7,-2.5 -2,-0.3 2,-0.4 -0.875 31.1-100.8-124.2 153.9 -4.5 6.6 -6.9 21 21 A R E -I 26 0C 134 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.618 38.8-178.9 -74.3 130.6 -6.7 7.2 -9.9 22 22 A S E > -I 25 0C 52 3,-3.3 3,-2.1 -2,-0.4 2,-0.4 -0.926 59.7 -55.2-135.1 97.9 -4.5 7.5 -13.1 23 23 A G T 3 S- 0 0 66 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.506 120.6 -22.2 68.7-119.7 -6.5 8.2 -16.3 24 24 A S T 3 S+ 0 0 127 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.160 131.7 64.7-108.0 16.1 -9.0 5.3 -16.5 25 25 A S E < S-I 22 0C 66 -3,-2.1 -3,-3.3 -5,-0.0 2,-0.4 -0.744 77.8-116.3-129.8 179.4 -7.0 3.0 -14.2 26 26 A W E -I 21 0C 84 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.954 24.5-158.7-119.4 138.5 -5.7 2.7 -10.7 27 27 A A E -I 20 0C 27 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.2 -0.986 19.1-123.2-121.7 128.2 -2.0 2.8 -9.9 28 28 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.445 38.3 160.9 -62.4 139.0 -0.4 1.4 -6.7 29 29 A T E - 0 0 24 -11,-3.0 2,-0.3 1,-0.4 159,-0.2 0.604 57.2 -0.4-128.8 -28.3 1.6 4.1 -4.9 30 30 A a E -I 18 0C 5 -12,-1.9 -12,-3.2 157,-0.1 -1,-0.4 -0.961 60.9-116.5-157.4 163.0 2.1 3.0 -1.3 31 31 A G E +I 17 0C 0 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.477 29.5 179.7 -94.1-174.0 1.4 0.3 1.2 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.2 -2,-0.2 2,-0.4 -0.936 25.8-117.2-172.1 168.5 -0.6 0.7 4.4 33 33 A T E -IK 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.999 23.2-129.4-122.3 129.7 -1.8 -1.4 7.4 34 34 A L E + K 0 40C 0 -20,-2.7 78,-3.4 -2,-0.4 6,-0.2 -0.670 34.6 166.8 -74.5 120.6 -5.6 -2.0 8.1 35 35 A I E + 0 0 4 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.599 66.8 13.7-115.3 -18.0 -6.0 -1.1 11.8 36 36 A R E > S- K 0 39C 85 3,-1.7 3,-1.4 74,-0.1 -1,-0.3 -0.916 90.0 -99.0-140.3 168.2 -9.8 -0.9 12.0 37 37 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.2 1,-0.3 64,-0.1 0.815 127.9 27.1 -65.2 -18.3 -12.4 -2.3 9.5 38 38 A N T 3 S+ 0 0 50 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.062 112.6 77.4-125.5 24.6 -12.7 1.3 8.2 39 39 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.5 59,-0.2 -3,-1.7 -0.996 51.4-169.8-136.7 136.5 -9.3 2.8 9.1 40 40 A V E -KL 34 97C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.971 13.8-145.6-120.1 139.1 -5.8 2.4 7.4 41 41 A M E +KL 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.887 36.6 146.7-102.3 122.4 -2.5 3.5 8.8 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.757 50.9 -70.2-139.9-169.3 -0.0 4.8 6.2 43 43 A A > - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.5 -0.745 33.0-134.1 -90.1 144.1 2.8 7.3 5.7 44 44 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.897 105.1 60.0 -59.3 -40.4 1.9 11.0 5.6 45 45 A H G > S+ 0 0 55 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.797 92.8 67.8 -63.1 -19.4 4.1 11.6 2.5 46 46 A a G < S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.775 106.8 39.3 -69.0 -25.1 2.0 9.0 0.6 47 47 A V G < S+ 0 0 15 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.039 79.6 107.5-114.8 28.2 -0.9 11.4 0.6 48 48 A D < + 0 0 63 -3,-1.3 2,-0.2 2,-0.1 -1,-0.1 0.904 68.1 75.7 -67.9 -40.7 0.9 14.7 0.1 49 49 A R S S- 0 0 125 -4,-0.4 2,-2.1 -3,-0.2 0, 0.0 -0.547 90.7-123.4 -74.1 141.7 -0.5 14.8 -3.5 50 50 A E + 0 0 198 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.314 61.4 141.1 -81.5 60.1 -4.2 15.8 -3.7 51 51 A L - 0 0 62 -2,-2.1 2,-0.7 1,-0.0 -31,-0.0 -0.412 62.0 -97.7 -97.6 174.7 -5.3 12.7 -5.6 52 52 A T - 0 0 90 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.852 50.8-166.5 -88.2 120.4 -8.2 10.3 -5.7 53 53 A F E -J 20 0C 10 -2,-0.7 21,-2.2 21,-0.2 2,-0.3 -0.803 17.1-179.1-115.1 153.9 -7.2 7.4 -3.5 54 54 A R E -JM 19 73C 44 -35,-2.4 -35,-2.8 -2,-0.3 2,-0.4 -0.957 18.6-137.5-136.4 158.6 -8.5 3.9 -2.9 55 55 A V E -JM 18 72C 0 17,-3.1 17,-2.6 -2,-0.3 2,-0.5 -0.934 8.8-155.5-113.9 142.2 -7.4 1.1 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.3 -39,-2.0 -2,-0.4 3,-0.3 -0.980 11.6-175.0-117.0 120.0 -7.3 -2.6 -1.7 57 57 A V E S+ M 0 70C 1 13,-2.3 13,-2.1 -2,-0.5 52,-0.1 -0.752 71.6 34.8-103.4 157.8 -7.5 -5.1 1.0 58 58 A G S S+ 0 0 4 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.803 87.2 150.9 71.3 26.2 -7.1 -8.9 0.2 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.768 15.5 148.6 -98.4 135.0 -4.6 -7.9 -2.5 60 60 A H S S+ 0 0 9 -2,-0.4 85,-1.7 1,-0.3 2,-0.5 0.646 71.3 34.6-126.2 -49.3 -1.8 -10.2 -3.5 61 61 A N B > -O 144 0D 13 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.948 63.9-156.2-113.9 119.1 -1.1 -9.6 -7.2 62 62 A L T 3 S+ 0 0 33 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.740 94.0 39.3 -64.0 -25.0 -1.6 -6.0 -8.4 63 63 A N T 3 S+ 0 0 107 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.236 110.4 55.5-108.7 3.3 -2.2 -7.1 -12.0 64 64 A Q S < S- 0 0 130 -3,-1.0 2,-0.6 79,-0.2 -3,-0.3 -0.979 87.8 -98.6-141.0 149.5 -4.3 -10.2 -11.7 65 65 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.592 31.7-175.2 -70.4 117.3 -7.6 -11.1 -10.1 66 66 A D - 0 0 25 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.680 35.2-128.8 -84.5 -22.1 -6.8 -12.8 -6.7 67 67 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.499 95.5 72.0 85.0 3.0 -10.5 -13.6 -6.0 68 68 A T + 0 0 26 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.368 64.4 123.0-129.2 -3.0 -10.1 -12.0 -2.6 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.380 37.5-166.5 -71.2 150.8 -9.8 -8.3 -3.1 70 70 A Q E -M 57 0C 43 -13,-2.1 -13,-2.3 -2,-0.1 2,-0.5 -0.997 12.4-155.1-127.9 122.8 -12.1 -5.6 -1.6 71 71 A Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.893 18.5 175.6-103.9 120.4 -11.7 -2.2 -3.3 72 72 A V E -M 55 0C 7 -17,-2.6 -17,-3.1 -2,-0.5 -2,-0.0 -0.986 26.3-124.9-134.1 130.9 -12.7 0.7 -1.0 73 73 A G E -M 54 0C 33 -2,-0.4 27,-2.5 -19,-0.2 2,-0.6 -0.319 27.5-114.2 -72.8 152.4 -12.5 4.5 -1.6 74 74 A V E +N 99 0C 29 -21,-2.2 -21,-0.2 25,-0.2 25,-0.2 -0.820 34.2 179.2 -82.5 119.5 -10.6 6.7 0.9 75 75 A Q E + 0 0 110 23,-2.6 2,-0.3 -2,-0.6 24,-0.2 0.746 63.0 11.9 -93.9 -31.6 -13.3 9.0 2.4 76 76 A K E -N 98 0C 86 22,-1.7 22,-2.9 2,-0.0 2,-0.5 -0.993 60.1-154.3-149.9 142.9 -11.2 11.1 4.8 77 77 A I E -N 97 0C 64 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.973 5.9-173.2-122.6 127.6 -7.5 11.7 5.4 78 78 A V E -N 96 0C 28 18,-3.0 18,-2.9 -2,-0.5 2,-0.3 -0.929 10.3-168.2-119.8 105.2 -5.9 12.7 8.7 79 79 A V E -N 95 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.647 39.4 -91.9 -88.0 148.6 -2.2 13.5 8.4 80 80 A H > - 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