==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 06-JUN-00 1E38 . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.A.WRIGHT,R.C.WILMOUTH,I.J.CLIFTON,C.J.SCHOFIELD . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 62.2 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 . 81 33.6 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 . 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.7 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 . 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 16 B V > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.9 -11.6 33.5 36.3 2 17 B V B 3 +A 182 0A 11 180,-2.3 180,-1.8 1,-0.2 134,-0.1 -0.791 360.0 12.7 -92.8 135.5 -15.1 34.2 35.1 3 18 B G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.766 98.5 141.3 71.7 28.4 -16.4 37.7 35.8 4 19 B G < - 0 0 24 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.282 45.9-134.7 -95.8-179.2 -13.0 39.0 36.8 5 20 B T E -B 147 0B 89 142,-2.4 142,-2.4 -2,-0.1 2,-0.3 -0.905 38.6 -90.9-126.7 152.3 -11.1 42.3 36.3 6 21 B E E -B 146 0B 114 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.527 45.9-128.2 -68.3 127.9 -7.4 42.6 35.1 7 22 B A - 0 0 2 138,-2.8 2,-0.2 -2,-0.3 138,-0.1 -0.479 23.3-103.9 -73.7 153.2 -5.2 42.7 38.2 8 23 B Q > - 0 0 120 -2,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.475 37.9-109.3 -69.7 147.0 -2.6 45.5 38.6 9 24 B R T 3 S+ 0 0 100 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.750 113.1 34.1 -47.5 -34.7 0.9 44.2 37.9 10 25 B N T 3 S+ 0 0 89 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.219 90.2 96.0-115.2 22.8 2.2 44.3 41.5 11 26 B S S < S+ 0 0 58 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.877 93.6 26.3 -78.8 -41.2 -0.9 43.4 43.4 12 27 B W > + 0 0 30 -4,-0.5 3,-1.9 -3,-0.1 -1,-0.2 -0.597 65.3 165.8-126.5 68.2 -0.4 39.6 43.9 13 28 B P T 3 S+ 0 0 36 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.620 72.3 62.1 -68.5 -9.4 3.4 38.9 43.8 14 29 B S T 3 S+ 0 0 9 95,-0.2 20,-2.5 97,-0.1 2,-0.2 0.574 79.4 108.0 -89.8 -9.9 3.1 35.4 45.2 15 30 B Q E < -I 33 0C 6 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.498 49.4-175.3 -68.9 133.2 1.0 34.2 42.2 16 31 B I E -I 32 0C 1 16,-2.2 16,-1.0 -2,-0.2 2,-0.5 -0.846 24.2-128.5-124.1 160.9 2.9 31.9 39.8 17 32 B S E -IJ 31 56C 0 39,-2.1 39,-2.2 -2,-0.3 2,-0.6 -0.950 18.3-152.8-106.4 123.4 2.0 30.2 36.4 18 33 B L E -IJ 30 55C 0 12,-3.1 11,-2.9 -2,-0.5 12,-1.7 -0.887 24.1-178.6 -99.6 122.3 2.6 26.5 36.3 19 34 B Q E -IJ 28 54C 10 35,-2.9 35,-2.5 -2,-0.6 2,-0.3 -0.904 19.5-145.4-127.8 154.5 3.4 25.4 32.7 20 35 B Y E -IJ 27 53C 72 7,-2.5 7,-2.5 -2,-0.3 2,-0.3 -0.868 29.9-104.0-121.2 149.8 4.1 22.2 30.8 21 36 B R E -I 26 0C 141 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.551 36.2-180.0 -72.8 128.3 6.4 21.6 27.8 22 36AB S E > -I 25 0C 56 3,-2.8 3,-2.1 -2,-0.3 2,-0.3 -0.925 62.7 -50.6-133.6 102.3 4.5 21.2 24.5 23 36BB G T 3 S- 0 0 73 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.533 118.9 -31.6 68.4-121.7 6.7 20.7 21.4 24 36CB S T 3 S+ 0 0 137 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 -0.047 132.0 70.4-119.1 32.5 9.3 23.5 21.7 25 37 B S E < S-I 22 0C 71 -3,-2.1 -3,-2.8 -5,-0.0 2,-0.3 -0.735 77.2-121.7-130.9 178.4 6.9 25.9 23.4 26 38 B W E -I 21 0C 67 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.954 16.8-154.9-125.9 148.2 5.3 26.0 26.9 27 39 B A E -I 20 0C 27 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.2 -0.990 19.3-121.2-128.8 135.0 1.6 26.0 27.9 28 40 B H E +I 19 0C 21 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.508 37.6 160.3 -67.3 136.4 -0.0 27.3 31.1 29 41 B T E - 0 0 21 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.620 57.5 -6.0-127.6 -26.3 -1.9 24.7 33.0 30 42 B a E -I 18 0C 0 -12,-1.7 -12,-3.1 157,-0.1 -1,-0.4 -0.972 58.6-116.0-160.1 167.9 -2.4 25.9 36.6 31 43 B G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.427 28.6 176.9 -98.7-172.9 -1.6 28.5 39.2 32 44 B G E -I 16 0C 0 -16,-1.0 -16,-2.2 -2,-0.2 2,-0.4 -0.954 27.2-111.7-170.6 178.3 0.3 28.2 42.4 33 45 B T E -IK 15 41C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.988 22.6-129.8-127.0 125.6 1.7 30.3 45.4 34 46 B L E + K 0 40C 1 -20,-2.5 78,-3.1 -2,-0.4 6,-0.2 -0.646 35.1 165.7 -71.6 119.0 5.4 30.9 46.0 35 47 B I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.590 66.5 13.5-112.5 -22.2 5.8 30.0 49.7 36 48 B R E > S- K 0 39C 96 3,-1.7 3,-1.6 74,-0.1 -1,-0.4 -0.924 89.3 -99.2-138.5 166.9 9.7 29.9 50.0 37 49 B Q T 3 S+ 0 0 88 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.780 127.8 28.0 -61.0 -22.4 12.3 31.1 47.5 38 50 B N T 3 S+ 0 0 52 64,-0.2 61,-2.4 1,-0.1 2,-0.4 0.082 112.7 76.0-124.7 22.6 12.6 27.5 46.3 39 51 B W E < -KL 36 98C 4 -3,-1.6 -4,-2.5 59,-0.2 -3,-1.7 -0.982 50.8-169.7-139.7 135.1 9.1 26.1 47.0 40 52 B V E -KL 34 97C 0 57,-2.3 57,-2.9 -2,-0.4 2,-0.5 -0.939 14.2-145.2-118.8 137.5 5.6 26.5 45.4 41 53 B M E +KL 33 96C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.886 36.9 145.7 -95.7 125.2 2.3 25.4 46.8 42 54 B T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.741 50.4 -71.1-141.8-171.1 -0.2 24.1 44.2 43 55 B A > - 0 0 0 -12,-0.4 3,-0.8 51,-0.2 4,-0.4 -0.744 31.0-133.6 -88.6 146.9 -3.0 21.6 43.8 44 56 B A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.869 105.1 60.6 -62.3 -36.6 -2.2 17.8 43.6 45 57 B H G > S+ 0 0 40 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.765 92.4 67.6 -67.3 -20.8 -4.5 17.4 40.6 46 58 B a G < S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.9 40.7 -67.8 -23.9 -2.4 19.9 38.6 47 59 B V G < S+ 0 0 18 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.114 79.5 108.4-112.9 25.2 0.5 17.4 38.6 48 60 B D < + 0 0 46 -3,-1.2 2,-0.2 2,-0.1 -2,-0.1 0.879 67.8 73.8 -67.5 -35.6 -1.5 14.2 37.9 49 61 B R S S- 0 0 158 -4,-0.3 2,-2.0 -3,-0.2 0, 0.0 -0.566 90.5-122.0 -81.8 143.2 -0.1 14.0 34.4 50 62 B E + 0 0 198 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.510 62.6 138.8 -83.9 73.7 3.5 12.9 33.9 51 63 B L - 0 0 72 -2,-2.0 2,-0.6 -4,-0.1 -31,-0.0 -0.615 62.0 -99.1-110.7 172.1 4.6 16.1 32.1 52 64 B T - 0 0 78 -31,-0.3 -31,-2.0 -2,-0.2 2,-0.3 -0.892 49.1-162.6 -92.8 125.6 7.7 18.3 32.2 53 65 B F E -J 20 0C 16 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.760 18.6-178.8-116.3 153.0 6.9 21.3 34.3 54 65AB R E -JM 19 73C 47 -35,-2.5 -35,-2.9 -2,-0.3 2,-0.4 -0.963 19.3-136.5-136.4 158.5 8.2 24.8 34.9 55 66 B V E -JM 18 72C 0 17,-2.9 17,-2.5 -2,-0.3 2,-0.5 -0.935 10.6-158.4-112.5 139.1 7.2 27.7 37.2 56 67 B V E -JM 17 71C 0 -39,-2.2 -39,-2.1 -2,-0.4 3,-0.3 -0.984 11.2-173.3-117.2 120.5 7.1 31.3 36.0 57 68 B V E + M 0 70C 1 13,-2.2 13,-2.1 -2,-0.5 52,-0.1 -0.738 68.0 32.4-107.0 156.7 7.2 34.0 38.7 58 69 B G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.4 10,-0.2 0.775 86.8 151.2 71.3 21.8 6.8 37.7 38.1 59 70 B E + 0 0 20 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.661 18.7 150.4 -91.5 145.5 4.3 37.0 35.3 60 71 B H S S+ 0 0 7 -2,-0.3 85,-1.4 1,-0.3 2,-0.6 0.497 70.3 37.8-130.8 -52.8 1.4 39.2 34.1 61 72 B N B > -O 144 0D 16 3,-0.3 3,-0.9 83,-0.2 -1,-0.3 -0.923 60.1-162.7-111.3 114.2 0.8 38.6 30.4 62 73 B L T 3 S+ 0 0 41 81,-2.5 -1,-0.1 -2,-0.6 82,-0.1 0.724 90.1 46.9 -66.4 -25.2 1.2 35.0 29.2 63 74 B N T 3 S+ 0 0 101 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.366 112.5 46.2 -98.5 0.8 1.5 36.0 25.5 64 75 B Q S < S- 0 0 135 -3,-0.9 2,-0.5 79,-0.2 -3,-0.3 -0.986 85.9 -99.0-143.0 157.1 4.0 38.8 25.8 65 76 B N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.587 30.7-178.2 -74.3 125.2 7.3 39.8 27.4 66 77 B N - 0 0 33 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.534 38.8-126.1 -96.0 -14.4 6.5 41.8 30.6 67 78 B G S S+ 0 0 60 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.661 94.1 78.0 75.0 17.2 10.2 42.3 31.4 68 79 B T + 0 0 27 -10,-0.2 2,-0.1 -11,-0.0 40,-0.1 0.416 62.9 117.8-131.7 -2.8 9.8 41.0 34.9 69 80 B E - 0 0 27 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.343 39.4-165.5 -77.4 150.6 9.6 37.2 34.6 70 81 B Q E -M 57 0C 48 -13,-2.1 -13,-2.2 -2,-0.1 2,-0.5 -0.999 12.1-154.3-129.1 131.0 11.9 34.5 36.1 71 82 B Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.932 18.6 172.2-109.7 125.3 11.6 30.9 34.6 72 83 B V E -M 55 0C 9 -17,-2.5 -17,-2.9 -2,-0.5 2,-0.1 -0.992 27.0-122.9-139.5 140.1 12.6 28.0 36.8 73 84 B G E -M 54 0C 30 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.378 27.2-113.9 -75.2 162.5 12.4 24.2 36.4 74 85 B V E +N 99 0C 32 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.849 31.2 178.9 -96.4 118.0 10.6 21.9 38.9 75 86 B Q E + 0 0 113 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.842 65.5 14.2 -91.1 -35.6 13.1 19.6 40.6 76 87 B K E -N 98 0C 85 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -1.000 58.7-155.3-143.6 141.2 10.9 17.6 43.0 77 88 B I E -N 97 0C 70 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.972 8.8-173.8-117.9 119.2 7.1 17.1 43.4 78 89 B V E -N 96 0C 31 18,-2.9 18,-2.6 -2,-0.5 2,-0.3 -0.933 7.6-170.8-114.7 103.6 5.7 16.1 46.8 79 90 B V E -N 95 0C 43 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.662 40.6 -89.9 -89.4 147.6 1.9 15.3 46.6 80 91 B H > - 0 0 26 14,-2.2 3,-2.1 12,-0.3 -1,-0.1 -0.400 37.3-128.4 -55.2 133.9 -0.0 14.9 49.9 81 92 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.687 105.6 54.3 -62.0 -20.1 0.2 11.1 50.6 82 93 B Y T 3 S+ 0 0 165 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.425 80.3 123.3 -91.5 0.6 -3.6 10.8 51.0 83 94 B W < - 0 0 32 -3,-2.1 2,-0.3 9,-0.2 9,-0.1 -0.380 38.0-173.0 -63.4 141.5 -4.4 12.3 47.6 84 95 B N > - 0 0 63 7,-0.4 3,-2.4 3,-0.2 6,-0.2 -0.921 18.5-153.0-137.3 112.5 -6.5 10.3 45.2 85 96 B T T 3 S+ 0 0 69 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.750 95.4 57.0 -56.3 -28.0 -7.2 11.4 41.6 86 97 B D T 3 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.506 110.6 43.8 -84.1 -3.6 -10.5 9.6 41.3 87 98 B D X + 0 0 71 -3,-2.4 3,-2.4 4,-0.1 4,-0.5 -0.514 55.0 161.1-139.2 71.3 -12.0 11.3 44.4 88 99 B V G > S+ 0 0 34 -3,-0.4 3,-1.2 1,-0.3 5,-0.2 0.854 80.3 64.3 -58.8 -28.1 -11.2 15.1 44.3 89 99AB A G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.695 86.7 69.8 -69.2 -15.1 -14.1 15.4 46.7 90 99BB A G < S- 0 0 35 -3,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.753 99.9-142.2 -77.6 -23.2 -12.1 13.4 49.3 91 100 B G < + 0 0 3 -3,-1.2 -7,-0.4 -4,-0.5 -1,-0.3 -0.595 66.3 120.5 100.1-159.5 -9.8 16.3 49.7 92 101 B Y + 0 0 80 -2,-0.2 2,-2.1 1,-0.2 -12,-0.3 0.735 37.8 157.3 64.3 30.3 -6.0 16.4 50.2 93 102 B D + 0 0 1 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.487 32.4 105.9 -89.4 76.2 -5.7 18.4 46.9 94 103 B I + 0 0 0 -2,-2.1 -14,-2.2 -51,-0.3 2,-0.3 -0.995 38.7 174.1-155.4 143.9 -2.4 19.9 47.7 95 104 B A E -LN 42 79C 0 -53,-2.3 -53,-2.7 -2,-0.3 2,-0.4 -0.992 20.3-139.3-150.0 150.8 1.2 19.5 46.5 96 105 B L E -LN 41 78C 0 -18,-2.6 -18,-2.9 -2,-0.3 2,-0.5 -0.948 12.5-155.9-117.4 133.8 4.6 21.2 47.0 97 106 B L E -LN 40 77C 1 -57,-2.9 -57,-2.3 -2,-0.4 2,-0.5 -0.943 6.9-148.4-110.8 119.4 7.1 21.8 44.2 98 107 B R E -LN 39 76C 52 -22,-2.6 -23,-2.5 -2,-0.5 -22,-1.5 -0.796 24.1-133.1 -86.2 126.3 10.8 22.2 45.0 99 108 B L E - 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