==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (SERINE PROTEASE/INHIBITOR) 04-JUL-96 1FLE . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.TSUNEMI,Y.MATSUURA,S.SAKAKIBARA,Y.KATSUBE . 287 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 63.8 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 . 91 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 . 1 0.3 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 . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 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 3 6 2 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 . 1 0 0 0 0 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 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 E V 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.6 2.3 30.8 41.5 2 17 E V B +A 182 0A 9 180,-2.8 180,-2.1 1,-0.2 134,-0.1 -0.784 360.0 11.1 -94.6 134.5 -0.1 32.0 38.8 3 18 E G S S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.589 98.8 121.4 72.1 23.9 -3.6 30.5 38.9 4 19 E G - 0 0 25 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.133 55.4-123.4 -96.8-165.1 -3.3 28.7 42.2 5 20 E T E -B 147 0B 98 142,-2.4 142,-2.4 -2,-0.1 2,-0.2 -0.899 40.3 -85.3-134.3 154.7 -5.3 28.9 45.5 6 21 E E E -B 146 0B 89 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.502 52.5-122.3 -68.3 133.3 -4.1 29.7 49.0 7 22 E A - 0 0 3 138,-2.9 138,-0.1 -2,-0.2 -1,-0.1 -0.358 28.1 -95.3 -74.6 153.8 -2.8 26.4 50.6 8 23 E Q > - 0 0 130 1,-0.1 3,-2.2 -2,-0.1 4,-0.4 -0.445 42.6-108.0 -66.3 144.6 -4.2 25.0 53.8 9 24 E R T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.620 116.9 30.3 -51.2 -19.6 -2.1 26.0 56.7 10 25 E N T 3 S+ 0 0 100 1,-0.1 -1,-0.3 99,-0.0 -2,-0.1 0.179 88.2 105.1-125.9 10.7 -0.7 22.5 57.2 11 26 E S S < S+ 0 0 50 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.832 91.1 24.3 -64.2 -39.5 -0.8 21.2 53.6 12 27 E W > + 0 0 31 -4,-0.4 3,-2.3 1,-0.1 -1,-0.2 -0.579 64.6 171.4-132.4 72.5 3.0 21.5 52.9 13 28 E P T 3 S+ 0 0 34 0, 0.0 97,-1.7 0, 0.0 45,-0.2 0.456 76.5 60.6 -58.3 -11.3 5.0 21.3 56.1 14 29 E S T 3 S+ 0 0 10 95,-0.2 20,-2.3 97,-0.1 98,-0.2 0.599 77.3 112.0 -94.2 -12.4 8.3 21.1 54.3 15 30 E Q E < -J 33 0C 7 -3,-2.3 43,-0.6 18,-0.2 44,-0.5 -0.363 46.7-174.5 -67.3 127.1 7.9 24.5 52.5 16 31 E I E -JK 32 57C 1 16,-2.2 16,-0.7 -2,-0.2 2,-0.5 -0.863 23.8-132.4-120.3 159.3 10.4 27.1 53.7 17 32 E S E -JK 31 56C 0 39,-2.2 39,-1.8 -2,-0.3 2,-0.6 -0.967 18.1-152.2-110.3 123.2 10.8 30.8 53.0 18 33 E L E -JK 30 55C 0 12,-3.2 11,-3.2 -2,-0.5 12,-1.9 -0.910 22.8-175.0 -95.7 124.0 14.5 31.7 52.2 19 34 E Q E -JK 28 54C 13 35,-2.6 35,-2.0 -2,-0.6 2,-0.3 -0.909 16.7-147.3-126.2 148.1 15.1 35.4 53.1 20 35 E Y E -JK 27 53C 41 7,-2.6 7,-2.9 -2,-0.3 2,-0.6 -0.838 31.6-103.6-113.1 149.5 17.9 37.9 52.8 21 36 E R E -J 26 0C 128 31,-2.3 2,-0.5 -2,-0.3 5,-0.3 -0.594 39.0-174.6 -74.1 114.7 18.9 40.7 55.1 22 36AE S E > -J 25 0C 49 3,-3.7 3,-1.3 -2,-0.6 2,-1.2 -0.790 63.2 -51.4-118.1 81.2 17.7 43.8 53.4 23 36BE G T 3 S- 0 0 83 -2,-0.5 -2,-0.1 1,-0.3 3,-0.1 -0.739 120.4 -31.8 90.3 -84.0 18.9 46.9 55.3 24 36CE S T 3 S+ 0 0 109 -2,-1.2 -1,-0.3 2,-0.0 2,-0.1 0.323 133.8 77.6-134.8 -18.4 17.6 46.0 58.8 25 37 E S E < S-J 22 0C 68 -3,-1.3 -3,-3.7 -4,-0.0 2,-0.4 -0.351 78.5-121.7 -91.5 170.8 14.7 44.1 57.4 26 38 E W E -J 21 0C 80 -5,-0.3 2,-0.5 -2,-0.1 -5,-0.2 -0.917 18.9-151.6-118.1 142.5 14.5 40.7 55.7 27 39 E A E -J 20 0C 20 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.2 -0.985 18.6-123.1-121.9 128.4 13.2 40.0 52.3 28 40 E H E +J 19 0C 27 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.476 41.1 161.7 -63.7 127.1 11.6 36.8 51.0 29 41 E T E - 0 0 7 -11,-3.2 228,-0.3 1,-0.4 2,-0.3 0.697 51.5 -8.3-118.2 -39.0 13.7 35.7 48.1 30 42 E a E -J 18 0C 0 -12,-1.9 -12,-3.2 157,-0.1 -1,-0.4 -0.944 59.0-108.5-153.9 173.3 13.0 32.0 47.3 31 43 E G E +J 17 0C 1 157,-3.0 12,-0.3 -2,-0.3 2,-0.3 -0.379 33.7 176.1 -94.2-176.8 11.2 28.7 48.4 32 44 E G E -J 16 0C 0 -16,-0.7 -16,-2.2 -2,-0.1 2,-0.4 -0.938 26.2-119.6-175.8 170.5 13.1 25.7 49.8 33 45 E T E -JL 15 41C 0 8,-2.1 8,-2.9 -2,-0.3 2,-0.6 -0.988 21.8-126.0-128.5 131.8 12.2 22.3 51.2 34 46 E L E + L 0 40C 1 -20,-2.3 78,-4.1 -2,-0.4 6,-0.2 -0.752 37.2 166.1 -79.8 117.0 13.2 21.1 54.7 35 47 E I E + 0 0 12 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.589 66.8 12.3-109.3 -20.2 15.0 17.8 54.1 36 48 E R E > S- L 0 39C 124 3,-1.6 3,-0.8 74,-0.1 -1,-0.3 -0.874 88.3-100.6-145.3 166.4 16.6 17.3 57.5 37 49 E Q T 3 S+ 0 0 82 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.743 128.0 27.3 -66.1 -22.9 16.0 19.1 60.8 38 50 E N T 3 S+ 0 0 30 64,-0.2 61,-2.8 62,-0.1 2,-0.4 0.148 113.6 76.7-121.7 15.3 19.2 21.1 60.0 39 51 E W E < -LM 36 98C 2 -3,-0.8 -4,-1.9 59,-0.2 -3,-1.6 -0.989 51.6-171.0-130.3 146.1 19.2 21.0 56.2 40 52 E V E -LM 34 97C 0 57,-2.2 57,-2.3 -2,-0.4 2,-0.5 -0.990 14.1-143.4-131.4 139.0 17.3 22.8 53.5 41 53 E M E +LM 33 96C 0 -8,-2.9 -8,-2.1 -2,-0.4 55,-0.2 -0.873 35.0 146.3-103.8 129.1 17.2 22.1 49.7 42 54 E T E - M 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.3 -0.721 50.4 -71.7-141.7-171.9 16.9 25.1 47.3 43 55 E A >> - 0 0 0 -12,-0.3 3,-1.0 51,-0.3 4,-0.5 -0.670 34.2-131.0 -87.6 143.5 18.0 26.4 43.8 44 56 E A H >> S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 4,-1.1 0.911 106.2 62.9 -61.9 -42.5 21.7 27.3 43.3 45 57 E H H 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 48,-0.0 0.608 99.0 57.1 -60.8 -12.1 20.7 30.7 41.7 46 58 E a H <4 S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.648 117.6 28.0 -88.3 -26.1 19.0 31.7 45.0 47 59 E V H << S+ 0 0 6 -3,-1.6 2,-0.5 -4,-0.5 -2,-0.2 0.365 88.9 100.2-122.7 8.4 22.1 31.4 47.2 48 60 E D S < S+ 0 0 38 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.1 -0.282 72.0 81.7 -88.2 41.2 24.9 32.0 44.7 49 61 E R S S- 0 0 39 -2,-0.5 2,-1.6 -3,-0.1 -3,-0.0 -0.968 90.9-105.7-143.5 155.0 25.2 35.6 46.0 50 62 E E S S+ 0 0 209 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.628 72.3 126.5 -85.9 76.1 27.0 37.3 48.9 51 63 E L - 0 0 68 -2,-1.6 2,-0.5 -4,-0.1 -2,-0.1 -0.746 65.7-108.9-123.3 163.9 23.9 38.0 51.1 52 64 E T - 0 0 67 -31,-0.3 -31,-2.3 -2,-0.3 2,-0.3 -0.912 44.4-157.8 -98.5 123.8 23.1 37.0 54.7 53 65 E F E +K 20 0C 10 -2,-0.5 21,-1.4 21,-0.2 2,-0.3 -0.749 20.7 175.9-110.9 155.7 20.4 34.4 54.7 54 65AE R E -KN 19 73C 57 -35,-2.0 -35,-2.6 -2,-0.3 2,-0.4 -0.920 18.6-139.9-146.3 161.4 17.8 33.0 57.1 55 66 E V E -KN 18 72C 0 17,-2.7 17,-2.4 -2,-0.3 2,-0.5 -0.957 6.2-154.1-127.3 143.5 15.1 30.4 56.7 56 67 E V E -KN 17 71C 0 -39,-1.8 -39,-2.2 -2,-0.4 2,-0.3 -0.995 11.6-167.5-123.1 125.7 11.6 30.5 58.1 57 68 E V E S+KN 16 70C 3 13,-2.5 13,-2.8 -2,-0.5 -41,-0.1 -0.864 70.5 27.4-112.1 147.6 9.8 27.3 58.8 58 69 E G S S+ 0 0 8 -43,-0.6 2,-0.3 50,-0.4 10,-0.3 0.727 84.6 159.0 70.0 28.3 6.0 26.9 59.5 59 70 E E + 0 0 16 -44,-0.5 -1,-0.3 -3,-0.3 3,-0.1 -0.644 13.8 151.9 -83.5 141.5 5.4 30.1 57.5 60 71 E H + 0 0 7 1,-0.4 85,-1.3 -2,-0.3 2,-0.6 0.477 69.0 31.0-126.9 -66.8 1.9 30.7 56.1 61 72 E N B > -P 144 0D 13 3,-0.3 3,-0.5 83,-0.2 -1,-0.4 -0.884 66.1-153.5-101.4 122.3 1.3 34.5 55.7 62 73 E L T 3 S+ 0 0 37 81,-3.6 -1,-0.1 -2,-0.6 82,-0.1 0.732 93.1 45.6 -65.6 -24.7 4.5 36.5 55.0 63 74 E N T 3 S+ 0 0 134 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.636 108.9 55.7 -97.8 -11.7 3.1 39.7 56.5 64 75 E Q S < S- 0 0 98 -3,-0.5 2,-0.5 79,-0.2 -3,-0.3 -0.901 79.8-117.3-127.3 149.2 1.6 38.3 59.8 65 76 E N - 0 0 126 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.717 28.1-179.2 -80.8 117.5 2.9 36.3 62.8 66 77 E N - 0 0 31 -2,-0.5 -1,-0.2 -8,-0.1 -7,-0.1 0.652 41.8-123.5 -91.5 -26.1 0.8 33.1 62.6 67 78 E G S S+ 0 0 59 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.234 94.3 89.1 95.2 -4.7 2.6 31.9 65.7 68 79 E T + 0 0 28 -10,-0.3 2,-0.2 40,-0.0 40,-0.1 0.429 63.7 107.1 -97.7 -4.3 3.7 28.7 63.9 69 80 E E - 0 0 28 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.489 47.1-163.8 -83.2 149.4 7.0 30.0 62.5 70 81 E Q E -N 57 0C 43 -13,-2.8 -13,-2.5 -2,-0.2 2,-0.4 -0.981 11.6-150.3-127.8 138.2 10.6 29.3 63.5 71 82 E Y E +N 56 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.918 20.1 175.6-109.6 132.5 13.4 31.6 62.3 72 83 E V E -N 55 0C 11 -17,-2.4 -17,-2.7 -2,-0.4 2,-0.1 -0.995 26.7-125.3-142.5 138.2 16.9 30.1 61.8 73 84 E G E -N 54 0C 34 -2,-0.4 27,-3.0 -19,-0.2 2,-0.6 -0.380 31.5-111.7 -76.4 158.3 20.2 31.4 60.5 74 85 E V E -O 99 0C 32 -21,-1.4 25,-0.3 25,-0.2 -21,-0.2 -0.852 32.2-179.2 -93.0 117.0 21.9 29.7 57.6 75 86 E Q E + 0 0 108 23,-2.7 2,-0.4 -2,-0.6 24,-0.2 0.830 64.3 16.9 -85.5 -42.6 25.2 28.0 58.7 76 87 E K E -O 98 0C 82 22,-1.7 22,-3.0 2,-0.0 2,-0.5 -0.998 57.8-157.4-138.4 142.3 26.6 26.4 55.5 77 88 E I E -O 97 0C 73 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.974 10.8-176.5-120.7 118.1 25.9 27.0 51.8 78 89 E V E -O 96 0C 31 18,-2.9 18,-2.3 -2,-0.5 2,-0.3 -0.935 5.7-168.3-122.1 106.6 26.8 24.1 49.4 79 90 E V E -O 95 0C 50 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.661 39.4 -90.8 -91.1 144.7 26.2 24.8 45.7 80 91 E H > - 0 0 14 14,-2.0 3,-2.1 12,-0.3 -1,-0.1 -0.392 34.5-130.6 -57.7 130.8 26.3 22.0 43.2 81 92 E P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.637 105.9 51.9 -55.3 -23.0 30.0 21.8 41.9 82 93 E Y T 3 S+ 0 0 159 10,-0.1 2,-0.3 2,-0.0 11,-0.1 0.392 81.4 123.1 -96.1 1.0 28.8 21.8 38.3 83 94 E W < - 0 0 26 -3,-2.1 2,-0.5 9,-0.2 9,-0.1 -0.481 44.9-162.7 -69.9 128.5 26.6 24.9 38.7 84 95 E N > - 0 0 82 3,-0.5 3,-1.7 7,-0.4 6,-0.2 -0.980 14.5-144.4-113.6 102.1 27.4 27.8 36.3 85 96 E T T 3 S+ 0 0 49 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.577 97.0 45.8 -39.2 -29.9 25.9 31.1 37.6 86 97 E D T 3 S+ 0 0 37 1,-0.2 193,-0.8 193,-0.1 2,-0.7 0.696 104.5 59.8 -85.9 -39.4 25.2 32.3 34.0 87 98 E D < + 0 0 73 -3,-1.7 -3,-0.5 1,-0.1 -1,-0.2 -0.932 46.3 163.9-105.9 96.9 23.7 29.2 32.5 88 99 E V S > S+ 0 0 0 -2,-0.7 3,-1.0 1,-0.2 5,-0.2 0.693 79.8 61.9 -87.1 -18.4 20.5 28.1 34.2 89 99AE A T 3 S+ 0 0 15 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.745 89.1 69.2 -77.7 -17.7 19.7 25.9 31.1 90 99BE A T 3 S- 0 0 32 1,-0.2 -1,-0.3 -6,-0.2 2,-0.2 0.732 101.4-142.2 -68.6 -22.5 22.9 23.9 31.7 91 100 E G < + 0 0 3 -3,-1.0 -7,-0.4 -4,-0.1 -1,-0.2 -0.522 67.1 116.9 95.8-163.5 21.2 22.5 34.9 92 101 E Y + 0 0 82 1,-0.2 2,-1.9 -2,-0.2 -12,-0.3 0.736 39.1 157.2 63.3 30.6 22.8 21.6 38.3 93 102 E D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.534 30.8 107.6 -85.0 79.3 20.5 24.3 39.8 94 103 E I + 0 0 0 -2,-1.9 -14,-2.0 -51,-0.3 2,-0.3 -0.987 37.8 175.4-155.9 140.8 20.5 22.9 43.3 95 104 E A E -MO 42 79C 0 -53,-2.2 -53,-2.8 -2,-0.3 2,-0.4 -0.958 17.8-144.8-145.6 152.8 22.1 23.9 46.7 96 105 E L E -MO 41 78C 0 -18,-2.3 -18,-2.9 -2,-0.3 2,-0.5 -0.968 12.6-157.2-120.1 135.3 21.9 22.6 50.2 97 106 E L E -MO 40 77C 0 -57,-2.3 -57,-2.2 -2,-0.4 2,-0.5 -0.959 9.9-142.2-118.2 133.3 22.0 25.0 53.3 98 107 E R E -MO 39 76C 65 -22,-3.0 -23,-2.7 -2,-0.5 -22,-1.7 -0.860 25.1-130.5 -93.3 122.3 23.0 23.8 56.7 99 108 E L E - 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