==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAR-02 1GWA . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR G.EVANS,G.BRICOGNE . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.2 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 . 20 8.3 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 . 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 . 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 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.6 11.3 4.5 1.5 2 17 A V B 3 +A 182 0A 9 180,-2.4 180,-1.8 1,-0.2 134,-0.1 -0.779 360.0 9.7 -91.4 138.2 14.8 5.2 2.6 3 18 A G T 3 S+ 0 0 44 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.763 97.8 135.9 65.2 33.0 16.1 8.8 1.9 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.283 47.3-134.6 -97.0-170.9 12.7 10.1 0.8 5 20 A T E -B 147 0B 87 142,-1.9 142,-2.2 -2,-0.1 2,-0.2 -0.936 40.5 -84.4-138.8 153.2 10.8 13.3 1.6 6 21 A E E -B 146 0B 109 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.439 47.7-122.9 -63.7 133.0 7.2 13.6 2.5 7 22 A A - 0 0 2 138,-2.7 2,-0.1 -2,-0.2 138,-0.1 -0.465 25.5-105.9 -70.9 151.7 4.9 13.7 -0.5 8 23 A Q > - 0 0 138 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.502 39.3-111.4 -68.1 144.1 2.6 16.6 -1.1 9 24 A R T 3 S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.703 113.0 37.5 -48.3 -34.6 -1.0 15.2 -0.2 10 25 A N T 3 S+ 0 0 91 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.295 90.8 93.1-106.6 12.0 -2.3 15.4 -3.9 11 26 A S S < S+ 0 0 54 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.916 95.5 25.1 -69.2 -50.6 0.9 14.3 -5.8 12 27 A W > + 0 0 24 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.605 66.4 163.8-119.7 66.0 0.3 10.5 -6.1 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.480 72.5 60.1 -67.6 -11.2 -3.5 9.9 -6.0 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-3.1 97,-0.1 2,-0.3 0.486 80.0 110.2 -90.9 -5.9 -3.4 6.3 -7.4 15 30 A Q E < -I 33 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.521 50.0-173.4 -70.7 134.1 -1.2 5.2 -4.4 16 31 A I E -I 32 0C 0 16,-2.3 16,-0.9 -2,-0.3 2,-0.5 -0.862 24.3-129.8-124.6 159.6 -3.1 2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.1 -2,-0.3 2,-0.6 -0.956 19.5-152.6-106.2 119.1 -2.2 1.3 1.4 18 33 A L E -IJ 30 55C 0 12,-3.7 11,-2.9 -2,-0.5 12,-2.0 -0.882 23.9-179.5 -96.7 123.1 -2.8 -2.5 1.4 19 34 A Q E -IJ 28 54C 8 35,-2.8 35,-2.4 -2,-0.6 2,-0.3 -0.860 19.3-149.6-125.9 152.5 -3.6 -3.4 5.0 20 35 A Y E -IJ 27 53C 53 7,-2.4 7,-3.1 -2,-0.3 33,-0.2 -0.947 29.3-105.9-126.4 147.6 -4.4 -6.7 6.9 21 36 A R E +I 26 0C 117 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.513 33.1 179.5 -77.2 131.0 -6.5 -7.2 10.0 22 36AA S E > -I 25 0C 47 3,-2.3 3,-1.8 -2,-0.2 2,-0.2 -0.904 62.7 -58.9-135.2 101.2 -4.6 -7.9 13.2 23 36BA G T 3 S- 0 0 66 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.370 120.0 -12.4 66.9-122.5 -7.0 -8.3 16.0 24 36CA S T 3 S+ 0 0 116 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.584 132.0 58.6 -82.6 -22.5 -9.1 -5.1 16.5 25 37 A S E < S-I 22 0C 60 -3,-1.8 -3,-2.3 -5,-0.0 2,-0.4 -0.282 74.8-123.7-104.5-175.0 -6.8 -3.2 14.2 26 38 A W E -I 21 0C 68 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.990 21.0-154.2-135.2 136.8 -5.5 -3.1 10.7 27 39 A A E -I 20 0C 27 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.3 -0.940 18.2-121.3-117.5 137.3 -1.8 -3.0 9.8 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.562 38.8 159.8 -72.9 135.6 -0.2 -1.6 6.7 29 41 A T E - 0 0 21 -11,-2.9 2,-0.3 1,-0.4 159,-0.2 0.670 56.5 -2.5-128.5 -27.1 1.8 -4.2 4.8 30 42 A a E -I 18 0C 4 -12,-2.0 -12,-3.7 157,-0.1 -1,-0.4 -0.978 58.8-113.4-158.4 169.1 2.2 -3.0 1.2 31 43 A G E +I 17 0C 0 157,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.375 30.0 179.4 -97.4-179.4 1.5 -0.3 -1.4 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 10,-0.1 2,-0.5 -0.935 25.9-117.0-170.7 168.0 -0.7 -0.8 -4.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.995 21.8-130.3-124.3 123.4 -1.8 1.3 -7.4 34 46 A L E + K 0 40C 1 -20,-3.1 78,-3.6 -2,-0.5 6,-0.2 -0.619 36.0 164.8 -69.7 120.5 -5.5 2.0 -8.0 35 47 A I E + 0 0 4 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.611 66.0 14.7-115.5 -20.3 -6.0 1.1 -11.8 36 48 A R E > S- K 0 39C 89 3,-1.8 3,-1.6 74,-0.1 -1,-0.4 -0.930 89.6 -99.1-140.5 167.6 -9.9 0.9 -12.0 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.2 1,-0.3 64,-0.1 0.799 127.5 26.0 -60.3 -22.6 -12.5 2.1 -9.5 38 50 A N T 3 S+ 0 0 46 64,-0.2 61,-2.7 62,-0.1 2,-0.4 0.107 112.4 79.3-125.4 22.6 -12.7 -1.4 -8.3 39 51 A W E < -KL 36 98C 5 -3,-1.6 -4,-2.4 59,-0.2 -3,-1.8 -0.990 50.5-170.4-135.8 136.7 -9.3 -2.8 -9.1 40 52 A V E -KL 34 97C 0 57,-2.7 57,-3.7 -2,-0.4 2,-0.5 -0.959 13.4-146.3-123.4 139.1 -5.9 -2.5 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.5 -2,-0.4 55,-0.2 -0.883 35.4 147.6-101.9 125.2 -2.5 -3.6 -8.9 42 54 A T E - L 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.3 -0.695 50.8 -71.3-141.4-168.4 -0.0 -4.8 -6.3 43 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.6 -0.749 34.0-131.3 -93.3 142.3 2.9 -7.3 -5.9 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.884 106.1 60.9 -57.8 -37.2 1.9 -11.0 -5.8 45 57 A H G >4 S+ 0 0 58 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.722 91.9 66.0 -64.2 -20.3 4.2 -11.5 -2.6 46 58 A a G <4 S+ 0 0 4 -3,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.766 108.5 39.2 -69.6 -26.6 2.1 -9.0 -0.7 47 59 A V G << S+ 0 0 12 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.129 80.1 102.2-118.6 30.1 -0.8 -11.4 -0.9 48 60 A D < + 0 0 55 -3,-0.8 2,-0.2 2,-0.1 -1,-0.1 0.806 68.4 83.9 -74.7 -33.9 0.8 -14.9 -0.4 49 61 A R S S- 0 0 133 -4,-0.3 2,-2.5 -3,-0.2 0, 0.0 -0.533 90.4-121.0 -75.9 142.7 -0.4 -14.9 3.3 50 62 A E + 0 0 197 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.273 65.6 142.6 -78.6 53.4 -4.0 -16.1 3.9 51 63 A L - 0 0 59 -2,-2.5 2,-0.7 -4,-0.0 -31,-0.0 -0.433 60.6-107.5 -95.3 170.6 -4.9 -12.8 5.5 52 64 A T - 0 0 90 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.861 46.4-165.1 -93.6 112.7 -7.9 -10.5 5.6 53 65 A F E +J 20 0C 11 -2,-0.7 21,-1.5 -33,-0.2 2,-0.3 -0.768 18.5 179.2-107.1 153.9 -7.0 -7.5 3.4 54 65AA R E -JM 19 73C 51 -35,-2.4 -35,-2.8 -2,-0.3 2,-0.4 -0.950 19.0-139.1-139.7 159.6 -8.4 -4.1 2.9 55 66 A V E -JM 18 72C 0 17,-2.8 17,-2.3 -2,-0.3 2,-0.5 -0.941 8.5-157.2-118.7 141.5 -7.3 -1.2 0.6 56 67 A V E -JM 17 71C 0 -39,-2.1 -39,-2.1 -2,-0.4 3,-0.3 -0.984 11.8-172.0-121.1 121.1 -7.3 2.5 1.8 57 68 A V E + M 0 70C 1 13,-2.0 13,-2.1 -2,-0.5 -41,-0.1 -0.755 69.8 33.8-104.7 159.0 -7.4 5.0 -1.0 58 69 A G S S+ 0 0 5 50,-0.5 2,-0.3 -43,-0.5 10,-0.2 0.809 86.6 152.5 69.9 20.5 -7.0 8.7 -0.4 59 70 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.683 15.7 151.6 -90.8 138.7 -4.6 7.9 2.4 60 71 A H S S+ 0 0 5 1,-0.5 85,-1.8 -2,-0.3 2,-0.5 0.597 70.7 32.4-127.3 -49.9 -1.8 10.2 3.4 61 72 A N B -O 144 0D 14 3,-0.3 3,-0.5 83,-0.2 -1,-0.5 -0.970 63.1-159.6-114.0 118.2 -1.0 9.7 7.1 62 73 A L S S+ 0 0 38 81,-3.1 -1,-0.1 -2,-0.5 82,-0.1 0.833 91.6 46.6 -62.0 -38.4 -1.5 6.1 8.2 63 74 A N S S+ 0 0 113 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.354 111.3 47.0 -88.5 -3.1 -1.7 7.2 12.0 64 75 A Q S S- 0 0 121 -3,-0.5 2,-0.5 79,-0.2 -3,-0.3 -0.955 87.4-102.8-137.7 157.7 -4.2 10.2 11.8 65 76 A N - 0 0 129 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.0 -0.705 28.1-172.0 -87.9 127.8 -7.5 10.9 10.1 66 77 A D - 0 0 26 -2,-0.5 -1,-0.1 -5,-0.2 -4,-0.0 0.527 36.5-124.9 -92.9 -14.3 -6.9 13.0 7.0 67 78 A G S S+ 0 0 63 1,-0.0 -2,-0.1 2,-0.0 0, 0.0 0.580 98.4 76.5 73.7 9.8 -10.6 13.6 6.3 68 79 A T + 0 0 23 -10,-0.2 2,-0.1 40,-0.0 40,-0.1 0.407 63.0 112.2-128.6 -5.3 -9.9 12.1 2.7 69 80 A E - 0 0 24 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.417 41.6-165.1 -72.7 151.7 -9.6 8.3 3.1 70 81 A Q E -M 57 0C 47 -13,-2.1 -13,-2.0 -2,-0.1 2,-0.5 -0.997 12.3-151.3-130.5 137.6 -12.1 5.6 1.7 71 82 A Y E +M 56 0C 118 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 18.1 175.1-116.2 129.6 -11.8 2.0 3.1 72 83 A V E -M 55 0C 9 -17,-2.3 -17,-2.8 -2,-0.5 -2,-0.0 -0.999 27.1-123.6-139.4 137.5 -12.8 -1.0 1.0 73 84 A G E -M 54 0C 36 -2,-0.4 27,-2.3 -19,-0.2 2,-0.6 -0.267 31.0-113.0 -69.6 161.9 -12.6 -4.8 1.5 74 85 A V E -N 99 0C 31 -21,-1.5 25,-0.2 25,-0.2 -21,-0.2 -0.880 31.8-176.0 -98.5 120.1 -10.7 -6.9 -1.0 75 86 A Q E + 0 0 111 23,-2.4 2,-0.3 -2,-0.6 24,-0.2 0.810 65.3 7.9 -88.2 -32.0 -13.3 -9.2 -2.8 76 87 A K E -N 98 0C 87 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.990 60.2-151.4-154.0 142.2 -11.1 -11.3 -5.1 77 88 A I E -N 97 0C 65 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.954 9.8-174.9-118.4 120.0 -7.3 -11.8 -5.4 78 89 A V E -N 96 0C 26 18,-3.2 18,-2.7 -2,-0.5 2,-0.2 -0.877 8.3-169.6-117.9 102.6 -5.8 -12.8 -8.8 79 90 A V E -N 95 0C 51 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.578 41.5 -88.2 -85.0 153.3 -2.1 -13.5 -8.5 80 91 A H > - 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