==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-01 1HAY . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.C.WILMOUTH,K.EDMAN,R.NEUTZE,P.A.WRIGHT,I.J.CLIFTON, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.8 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 . 21 8.8 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 . 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 . 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 B V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.4 -11.1 33.5 35.2 2 17 B V B 3 +A 182 0A 10 180,-2.5 180,-2.0 1,-0.2 134,-0.2 -0.767 360.0 9.7 -91.7 136.1 -14.7 34.3 34.0 3 18 B G T 3 S+ 0 0 39 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.813 98.8 133.5 68.6 30.9 -16.0 37.8 34.8 4 19 B G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.362 48.3-131.2-102.6-174.5 -12.6 39.1 35.8 5 20 B T E -B 147 0B 89 142,-2.6 142,-2.3 -2,-0.1 2,-0.3 -0.904 39.8 -83.2-132.1 159.4 -10.6 42.3 35.1 6 21 B E E -B 146 0B 111 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.498 47.6-130.1 -68.8 126.8 -7.0 42.6 34.0 7 22 B A - 0 0 0 138,-2.6 2,-0.1 -2,-0.3 138,-0.1 -0.453 26.4-102.4 -74.2 147.9 -4.8 42.6 37.1 8 23 B Q > - 0 0 126 -2,-0.1 3,-2.2 1,-0.1 4,-0.5 -0.496 36.3-110.0 -70.1 142.6 -2.2 45.3 37.5 9 24 B R T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.732 114.6 34.8 -42.3 -35.6 1.3 44.1 36.6 10 25 B N T 3 S+ 0 0 77 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.195 90.4 95.6-112.6 17.8 2.5 44.2 40.2 11 26 B S S < S+ 0 0 48 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.896 93.5 25.7 -75.5 -41.9 -0.6 43.2 42.2 12 27 B W > + 0 0 28 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.587 64.2 166.1-127.1 71.4 -0.0 39.5 42.7 13 28 B P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.573 73.6 62.8 -61.8 -13.1 3.8 38.8 42.5 14 29 B S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 2,-0.2 0.583 79.2 106.5 -89.3 -9.0 3.4 35.3 44.0 15 30 B Q E < -I 33 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.503 50.1-175.4 -71.5 132.8 1.3 34.1 41.0 16 31 B I E -I 32 0C 1 16,-2.0 16,-0.9 -2,-0.2 2,-0.5 -0.867 24.4-126.8-126.1 161.4 3.2 31.8 38.6 17 32 B S E -IJ 31 56C 0 39,-2.3 39,-2.2 -2,-0.3 2,-0.6 -0.948 18.1-153.9-108.6 122.2 2.3 30.2 35.3 18 33 B L E +IJ 30 55C 0 12,-3.7 11,-2.8 -2,-0.5 12,-2.0 -0.879 23.6 178.0 -97.4 120.1 2.8 26.4 35.1 19 34 B Q E -IJ 28 54C 10 35,-2.4 35,-2.4 -2,-0.6 2,-0.3 -0.875 19.2-148.8-124.8 155.9 3.4 25.4 31.5 20 35 B Y E -IJ 27 53C 71 7,-2.4 7,-2.6 -2,-0.3 2,-0.4 -0.885 29.0-103.9-121.3 154.1 4.1 22.1 29.8 21 36 B R E +I 26 0C 124 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.614 34.6 178.2 -80.6 132.6 6.2 21.5 26.7 22 36AB S E > -I 25 0C 61 3,-3.2 3,-1.8 -2,-0.4 2,-0.3 -0.909 61.7 -54.1-135.2 101.9 4.3 20.8 23.5 23 36BB G T 3 S- 0 0 58 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.489 119.7 -18.8 69.0-125.1 6.5 20.4 20.5 24 36CB S T 3 S+ 0 0 138 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.217 131.4 59.8-100.1 12.9 8.8 23.3 20.1 25 37 B S E < S-I 22 0C 69 -3,-1.8 -3,-3.2 -5,-0.0 2,-0.3 -0.811 75.7-118.2-134.6 174.6 6.7 25.5 22.3 26 38 B W E -I 21 0C 91 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.887 19.7-157.0-116.7 147.1 5.3 25.8 25.8 27 39 B A E -I 20 0C 30 -7,-2.6 -7,-2.4 -2,-0.3 2,-0.2 -0.987 19.2-124.2-128.5 132.4 1.6 26.0 26.8 28 40 B H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.530 39.2 157.8 -70.0 133.6 0.1 27.4 29.9 29 41 B T E + 0 0 45 -11,-2.8 2,-0.3 1,-0.4 157,-0.3 0.592 57.5 6.3-127.6 -29.7 -1.9 24.8 31.8 30 42 B a E -I 18 0C 5 -12,-2.0 -12,-3.7 157,-0.1 -1,-0.4 -0.956 58.3-123.2-152.1 168.0 -2.2 25.9 35.4 31 43 B G E +I 17 0C 0 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.457 28.7 175.3-103.0-180.0 -1.4 28.6 38.0 32 44 B G E -I 16 0C 0 -16,-0.9 -16,-2.0 -2,-0.2 2,-0.4 -0.961 27.4-112.5-171.3 174.3 0.6 28.2 41.1 33 45 B T E -IK 15 41C 1 8,-2.8 8,-3.2 -2,-0.3 2,-0.5 -0.992 20.7-132.5-128.3 127.7 1.9 30.2 44.0 34 46 B L E + K 0 40C 0 -20,-2.6 78,-3.5 -2,-0.4 6,-0.2 -0.671 34.4 164.2 -74.8 122.1 5.6 30.8 44.7 35 47 B I E + 0 0 3 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.564 67.0 17.8-115.1 -16.5 6.1 30.1 48.4 36 48 B R E > S- K 0 39C 93 3,-1.7 3,-1.2 74,-0.1 -1,-0.4 -0.930 88.5-102.7-144.6 160.9 9.9 29.8 48.5 37 49 B Q T 3 S+ 0 0 91 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.805 127.1 27.0 -59.5 -24.2 12.5 31.0 46.1 38 50 B N T 3 S+ 0 0 52 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.129 113.1 76.0-123.8 19.6 12.7 27.4 44.9 39 51 B W E < -KL 36 98C 5 -3,-1.2 -4,-2.4 59,-0.2 -3,-1.7 -0.996 51.6-169.9-136.4 134.8 9.3 26.0 45.8 40 52 B V E -KL 34 97C 0 57,-2.2 57,-2.9 -2,-0.4 2,-0.5 -0.965 13.3-146.2-122.7 136.9 5.9 26.4 44.1 41 53 B M E +KL 33 96C 0 -8,-3.2 -8,-2.8 -2,-0.4 2,-0.2 -0.880 35.9 144.6-101.4 130.8 2.5 25.4 45.5 42 54 B T E - L 0 95C 0 53,-2.7 53,-2.4 -2,-0.5 2,-0.3 -0.798 51.2 -67.6-148.0-172.2 -0.1 24.2 43.0 43 55 B A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.5 -0.677 33.2-134.3 -89.0 142.5 -2.9 21.7 42.5 44 56 B A G >4 S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.872 105.5 59.5 -62.4 -36.3 -2.1 18.0 42.4 45 57 B H G >4 S+ 0 0 56 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.721 94.1 67.1 -68.0 -15.7 -4.3 17.5 39.4 46 58 B a G <4 S+ 0 0 10 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.764 107.7 37.9 -72.8 -24.7 -2.2 20.0 37.5 47 59 B V G << S+ 0 0 11 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.016 82.5 104.7-117.5 28.9 0.8 17.6 37.5 48 60 B D < + 0 0 52 -3,-0.9 -1,-0.1 2,-0.1 -2,-0.1 0.860 65.5 80.9 -73.5 -38.9 -1.0 14.2 37.0 49 61 B R S S- 0 0 52 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.308 91.2-113.6 -71.0 153.8 0.1 13.9 33.4 50 62 B E + 0 0 193 2,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.495 69.6 137.0 -85.0 67.4 3.6 12.7 32.4 51 63 B L - 0 0 75 -2,-1.9 2,-0.7 -4,-0.1 -29,-0.1 -0.685 62.2-110.6-113.5 166.1 4.6 16.1 31.0 52 64 B T - 0 0 71 -31,-0.3 -31,-2.1 -2,-0.2 2,-0.3 -0.876 43.9-165.1 -95.2 118.9 7.7 18.2 31.1 53 65 B F E -J 20 0C 12 -2,-0.7 21,-1.1 -33,-0.2 2,-0.3 -0.756 15.3-175.2-108.8 154.1 6.8 21.3 33.1 54 65AB R E -JM 19 73C 49 -35,-2.4 -35,-2.4 -2,-0.3 2,-0.4 -0.954 18.8-134.0-139.1 156.2 8.4 24.7 33.6 55 66 B V E -JM 18 72C 0 17,-3.4 17,-2.5 -2,-0.3 2,-0.5 -0.944 11.9-161.6-115.2 135.5 7.5 27.5 35.9 56 67 B V E -JM 17 71C 0 -39,-2.2 -39,-2.3 -2,-0.4 3,-0.3 -0.973 10.3-175.6-117.9 121.8 7.3 31.2 34.8 57 68 B V E + M 0 70C 1 13,-2.2 13,-1.8 -2,-0.5 52,-0.1 -0.739 67.3 33.9-109.5 161.3 7.4 33.9 37.5 58 69 B G S S+ 0 0 5 50,-0.6 2,-0.2 -43,-0.5 10,-0.2 0.761 87.1 151.9 66.4 23.4 7.1 37.6 36.9 59 70 B E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.615 17.2 149.9 -90.0 145.6 4.6 36.8 34.1 60 71 B H + 0 0 6 1,-0.3 85,-1.8 -2,-0.2 2,-0.6 0.499 68.8 35.8-135.6 -53.6 1.8 39.0 33.0 61 72 B N B > -O 144 0D 13 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.939 62.6-157.5-112.3 114.7 1.0 38.6 29.3 62 73 B L T 3 S+ 0 0 36 81,-3.1 -1,-0.1 -2,-0.6 82,-0.1 0.685 92.5 42.6 -63.5 -18.0 1.4 35.0 28.0 63 74 B N T 3 S+ 0 0 111 80,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.452 110.5 52.2-109.7 -2.1 1.9 36.1 24.4 64 75 B Q S < S- 0 0 122 -3,-1.0 -3,-0.3 79,-0.2 2,-0.3 -0.980 86.2-103.0-136.0 148.7 4.2 39.1 24.7 65 76 B N - 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.535 30.5-176.5 -70.3 126.1 7.6 39.8 26.4 66 77 B N - 0 0 32 -2,-0.3 -1,-0.2 -5,-0.1 -4,-0.0 0.565 36.1-127.0 -98.7 -13.0 7.0 41.7 29.6 67 78 B G S S+ 0 0 60 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.666 95.3 78.2 74.9 17.6 10.7 42.2 30.5 68 79 B T + 0 0 28 -10,-0.2 -9,-0.1 -11,-0.1 40,-0.1 0.398 63.3 119.9-133.1 -4.7 10.1 40.7 33.9 69 80 B E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.319 37.5-169.9 -73.0 147.6 9.9 37.0 33.3 70 81 B Q E -M 57 0C 44 -13,-1.8 -13,-2.2 -2,-0.1 2,-0.5 -0.998 11.5-154.4-133.6 127.2 12.1 34.3 34.8 71 82 B Y E +M 56 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.917 18.3 171.7-109.2 128.3 11.8 30.8 33.4 72 83 B V E -M 55 0C 5 -17,-2.5 -17,-3.4 -2,-0.5 -2,-0.0 -0.994 26.4-124.5-139.2 142.1 12.8 27.8 35.5 73 84 B G E -M 54 0C 27 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.283 28.9-109.9 -78.0 167.1 12.5 24.0 35.2 74 85 B V E +N 99 0C 33 -21,-1.1 25,-0.2 25,-0.2 -21,-0.2 -0.894 31.0 179.8-102.0 118.7 10.8 21.7 37.7 75 86 B Q E + 0 0 113 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.864 67.3 9.8 -85.2 -42.0 13.2 19.5 39.5 76 87 B K E -N 98 0C 82 22,-1.6 22,-2.6 2,-0.0 2,-0.5 -1.000 57.7-154.1-145.2 141.8 10.9 17.5 41.8 77 88 B I E -N 97 0C 65 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.960 10.0-173.6-118.4 115.6 7.1 17.1 42.0 78 89 B V E -N 96 0C 25 18,-2.9 18,-2.5 -2,-0.5 2,-0.2 -0.893 7.3-171.0-111.8 102.9 5.7 16.1 45.4 79 90 B V E -N 95 0C 43 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.610 40.6 -90.2 -87.6 150.7 2.0 15.4 45.2 80 91 B H > - 0 0 27 14,-2.0 3,-2.2 12,-0.3 -1,-0.1 -0.444 36.6-127.8 -61.8 131.5 0.0 14.9 48.5 81 92 B P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.708 106.8 51.6 -52.6 -26.7 0.2 11.1 49.2 82 93 B Y T 3 S+ 0 0 163 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.442 80.1 122.9 -93.8 0.3 -3.6 10.9 49.6 83 94 B W < - 0 0 30 -3,-2.2 2,-0.5 9,-0.2 9,-0.1 -0.404 41.7-168.1 -64.6 134.8 -4.3 12.6 46.3 84 95 B N > - 0 0 78 7,-0.5 3,-2.3 3,-0.3 6,-0.2 -0.957 15.1-151.6-128.7 110.5 -6.5 10.4 44.0 85 96 B T T 3 S+ 0 0 75 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.787 96.7 49.8 -50.0 -35.3 -6.8 11.6 40.4 86 97 B D T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.218 110.5 51.5 -93.2 17.0 -10.2 10.0 39.9 87 98 B D X + 0 0 72 -3,-2.3 3,-1.6 4,-0.1 4,-0.4 -0.412 53.1 156.7-149.1 64.4 -11.7 11.6 43.1 88 99 B V G > S+ 0 0 48 -3,-0.3 3,-1.4 1,-0.3 5,-0.2 0.833 75.5 65.0 -61.5 -30.0 -11.0 15.3 43.2 89 99AB A G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.678 88.7 67.7 -66.6 -17.9 -14.0 15.7 45.5 90 99BB A G < S- 0 0 32 -3,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.750 101.8-141.6 -72.9 -23.8 -12.1 13.7 48.2 91 100 B G < + 0 0 3 -3,-1.4 -7,-0.5 -4,-0.4 -1,-0.3 -0.651 66.6 120.3 100.6-156.4 -9.6 16.6 48.4 92 101 B Y + 0 0 80 -2,-0.2 2,-2.1 1,-0.2 -12,-0.3 0.738 37.4 156.7 62.1 25.5 -5.9 16.6 48.9 93 102 B D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.524 33.1 106.0 -83.4 76.7 -5.6 18.5 45.6 94 103 B I + 0 0 0 -2,-2.1 -14,-2.0 -51,-0.3 2,-0.3 -0.992 39.1 175.0-155.0 146.3 -2.2 20.0 46.3 95 104 B A E -LN 42 79C 0 -53,-2.4 -53,-2.7 -2,-0.3 2,-0.4 -0.988 20.4-138.4-151.1 152.6 1.3 19.6 45.2 96 105 B L E -LN 41 78C 0 -18,-2.5 -18,-2.9 -2,-0.3 2,-0.5 -0.950 13.2-155.9-116.9 136.7 4.7 21.2 45.7 97 106 B L E -LN 40 77C 0 -57,-2.9 -57,-2.2 -2,-0.4 2,-0.5 -0.952 6.2-149.7-114.6 120.3 7.2 21.8 42.9 98 107 B R E -LN 39 76C 58 -22,-2.6 -23,-2.5 -2,-0.5 -22,-1.6 -0.787 24.9-133.3 -87.4 126.5 10.9 22.1 43.7 99 108 B L E - 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