==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-NOV-11 3UOU . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.GARCIA-FERNANDEZ,M.PERBANDT,D.REHDERS,Y.GONZALEZ-GONZALEZ, . 294 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 5 1.7 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 . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.1 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 1 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 . 1 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 2 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 1 0 0 0 1 0 0 1 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 27 A V > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.9 -28.1 3.4 3.9 2 28 A V B 3 +A 182 0A 19 180,-2.6 180,-1.7 1,-0.2 134,-0.1 -0.760 360.0 12.6 -91.5 135.2 -29.1 3.0 0.3 3 29 A G T 3 S+ 0 0 43 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.667 103.0 117.1 77.8 17.5 -32.4 1.2 -0.5 4 30 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.238 54.7-127.7-104.3-167.7 -33.7 1.4 3.1 5 31 A T E -B 147 0B 88 142,-2.3 142,-2.9 -2,-0.1 2,-0.2 -0.934 38.5 -79.0-139.3 162.6 -36.5 3.0 5.0 6 32 A E E -B 146 0B 103 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.428 49.9-125.6 -64.7 129.0 -36.9 5.2 8.1 7 33 A A - 0 0 3 138,-2.7 2,-0.1 -2,-0.2 138,-0.1 -0.429 30.8 -96.0 -69.2 150.7 -36.5 3.2 11.3 8 34 A Q > - 0 0 149 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 -0.513 64.2 -87.0 -59.3 135.6 -39.3 3.4 13.9 9 35 A R T 3 S- 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 51,-0.1 -0.226 106.5 -1.9 -58.8 135.1 -37.9 6.0 16.2 10 36 A N T 3 S+ 0 0 26 49,-0.3 -1,-0.3 2,-0.1 50,-0.1 0.616 89.8 129.1 61.4 16.9 -35.6 4.6 18.9 11 37 A S S < S+ 0 0 50 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.602 75.3 45.6 -78.5 -10.3 -36.2 1.0 17.7 12 38 A W S > S+ 0 0 24 -4,-0.2 3,-2.2 96,-0.1 -1,-0.3 -0.625 74.3 174.0-124.9 74.1 -32.4 0.5 17.6 13 39 A P T 3 S+ 0 0 24 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.477 71.9 59.7 -71.1 -3.7 -31.5 2.0 21.0 14 40 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.551 80.3 109.2 -92.2 -9.4 -27.8 1.0 20.9 15 41 A Q E < -K 33 0C 5 -3,-2.2 44,-0.4 18,-0.2 43,-0.4 -0.457 49.9-172.6 -67.9 130.4 -27.2 3.0 17.7 16 42 A I E -K 32 0C 1 16,-2.2 16,-0.8 -2,-0.2 2,-0.5 -0.881 22.0-132.7-121.0 157.4 -25.2 6.2 18.3 17 43 A S E -KL 31 56C 0 39,-2.0 39,-2.5 -2,-0.3 2,-0.5 -0.953 18.6-151.3-105.4 127.3 -24.2 9.2 16.1 18 44 A L E -KL 30 55C 0 12,-3.0 11,-2.9 -2,-0.5 12,-1.6 -0.890 20.9-177.2-101.3 122.2 -20.5 10.1 16.1 19 45 A Q E -KL 28 54C 9 35,-2.6 35,-2.4 -2,-0.5 2,-0.3 -0.934 17.6-143.2-129.0 142.3 -19.9 13.8 15.5 20 46 A Y E -KL 27 53C 42 7,-2.3 7,-2.1 -2,-0.4 33,-0.2 -0.766 35.5 -93.4-104.1 150.7 -16.9 16.0 15.1 21 47 A R E +K 26 0C 108 31,-2.8 2,-0.3 -2,-0.3 5,-0.3 -0.359 41.6 177.0 -62.1 134.9 -16.5 19.6 16.3 22 48 A S E > -K 25 0C 54 3,-2.0 3,-2.6 -2,-0.1 2,-0.4 -0.904 63.0 -47.3-142.6 108.2 -17.3 22.2 13.8 23 49 A G T 3 S- 0 0 75 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.550 119.9 -33.9 66.8-119.8 -17.1 25.9 14.9 24 50 A S T 3 S+ 0 0 115 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.256 134.7 68.9-109.2 9.4 -19.1 25.8 18.2 25 51 A S E < S-K 22 0C 62 -3,-2.6 -3,-2.0 -5,-0.0 2,-0.3 -0.150 77.7-113.6-108.6-156.6 -21.4 23.1 16.7 26 52 A W E -K 21 0C 63 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.992 14.4-157.4-149.7 144.2 -21.1 19.4 15.7 27 53 A A E -K 20 0C 27 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.1 -0.988 24.0-117.6-134.9 128.3 -21.4 17.4 12.5 28 54 A H E +K 19 0C 10 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.360 41.0 154.6 -63.2 136.0 -22.2 13.7 12.0 29 55 A T E + 0 0 0 -11,-2.9 227,-1.6 1,-0.4 2,-0.3 0.587 59.8 2.5-128.7 -33.0 -19.5 11.6 10.5 30 56 A a E -K 18 0C 0 -12,-1.6 -12,-3.0 225,-0.2 -1,-0.4 -0.935 61.5-115.0-150.6 166.7 -20.0 7.9 11.6 31 57 A G E -K 17 0C 1 157,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.324 29.5-180.0 -92.3-174.9 -22.2 5.5 13.5 32 58 A G E -K 16 0C 0 -16,-0.8 -16,-2.2 10,-0.1 2,-0.4 -0.954 25.2-117.7-171.6 169.1 -21.3 3.5 16.6 33 59 A T E -KM 15 41C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.992 23.1-129.8-122.9 125.6 -22.8 1.0 19.1 34 60 A L E + M 0 40C 0 -20,-2.6 78,-3.1 -2,-0.4 6,-0.2 -0.618 35.1 166.2 -65.8 117.2 -23.2 1.8 22.8 35 61 A I E + 0 0 4 4,-2.0 2,-0.3 -2,-0.5 5,-0.2 0.600 64.4 13.5-113.2 -15.7 -21.6 -1.2 24.6 36 62 A R E > S- M 0 39C 74 3,-1.6 3,-0.7 74,-0.1 -1,-0.2 -0.880 89.5 -96.2-140.0 174.3 -21.3 0.1 28.2 37 63 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.6 1,-0.2 64,-0.1 0.803 128.7 24.1 -62.6 -27.0 -22.8 3.1 29.9 38 64 A N T 3 S+ 0 0 32 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.117 112.4 78.3-126.2 21.6 -19.5 4.9 29.1 39 65 A W E < -MN 36 98C 4 -3,-0.7 -4,-2.0 59,-0.2 -3,-1.6 -0.997 50.1-167.8-133.1 143.4 -18.1 3.1 26.1 40 66 A V E -MN 34 97C 0 57,-2.3 57,-3.2 -2,-0.4 2,-0.5 -0.981 13.1-145.4-126.9 136.1 -18.9 3.1 22.4 41 67 A M E +MN 33 96C 0 -8,-2.8 -8,-2.3 -2,-0.4 55,-0.2 -0.889 36.3 146.7 -99.9 126.2 -17.7 0.7 19.7 42 68 A T E - N 0 95C 0 53,-3.0 53,-1.9 -2,-0.5 2,-0.3 -0.681 49.5 -67.2-140.3-166.7 -17.0 2.2 16.3 43 69 A A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.6 -0.761 33.3-133.6 -91.7 142.8 -14.7 1.9 13.2 44 70 A A H >> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.2 3,-1.3 0.896 105.8 59.5 -56.9 -42.5 -11.0 2.7 13.5 45 71 A H H 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 162,-0.0 0.720 98.2 61.5 -66.5 -17.0 -11.1 4.8 10.3 46 72 A a H <4 S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.809 119.7 19.9 -72.6 -30.8 -13.7 7.0 11.9 47 73 A V H << S+ 0 0 3 -3,-1.3 2,-1.8 -4,-0.6 4,-0.2 0.301 83.8 108.6-130.0 6.6 -11.5 8.2 14.8 48 74 A D S < S+ 0 0 49 -4,-1.3 2,-0.3 -5,-0.1 -1,-0.1 -0.296 72.9 78.5 -83.5 57.3 -7.8 7.6 13.8 49 75 A R S S- 0 0 37 -2,-1.8 2,-1.8 2,-0.1 -3,-0.0 -0.969 94.7 -94.7-158.0 159.2 -7.4 11.4 13.4 50 76 A E S S+ 0 0 197 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.440 73.6 126.6 -85.2 66.7 -6.9 14.5 15.6 51 77 A L - 0 0 59 -2,-1.8 2,-0.6 -4,-0.2 -2,-0.1 -0.843 62.0-118.6-116.1 157.8 -10.5 15.7 15.9 52 78 A T - 0 0 93 -2,-0.3 -31,-2.8 -31,-0.1 2,-0.2 -0.878 41.6-168.2 -93.1 120.8 -12.7 16.5 18.9 53 79 A F E -L 20 0C 7 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.700 18.2-170.6-109.9 158.0 -15.6 14.1 19.0 54 80 A R E -LO 19 73C 51 -35,-2.4 -35,-2.6 -2,-0.2 2,-0.4 -0.956 16.5-137.2-136.6 164.1 -19.0 13.7 20.8 55 81 A V E -LO 18 72C 0 17,-3.2 17,-2.5 -2,-0.3 2,-0.5 -0.948 7.9-155.9-120.4 135.2 -21.5 10.9 20.8 56 82 A V E -LO 17 71C 0 -39,-2.5 -39,-2.0 -2,-0.4 3,-0.3 -0.963 12.2-173.7-113.1 119.7 -25.3 11.2 20.6 57 83 A V E + O 0 70C 1 13,-2.1 13,-1.9 -2,-0.5 -41,-0.1 -0.696 68.8 31.6-100.8 162.0 -27.4 8.4 22.1 58 84 A G S S+ 0 0 4 -43,-0.4 10,-0.3 50,-0.4 2,-0.2 0.717 88.3 154.4 66.2 22.6 -31.2 8.2 21.8 59 85 A E + 0 0 11 -44,-0.4 -49,-0.3 -3,-0.3 -1,-0.2 -0.510 19.1 146.3 -88.7 147.6 -30.9 10.0 18.4 60 86 A H S S+ 0 0 3 1,-0.3 85,-1.1 4,-0.2 2,-0.6 0.401 71.3 38.1-134.4 -58.6 -33.4 9.8 15.5 61 87 A N B > -Q 144 0D 24 3,-0.3 3,-1.3 83,-0.2 -1,-0.3 -0.907 68.1-153.2-103.0 116.2 -33.6 13.1 13.6 62 88 A L T 3 S+ 0 0 29 81,-2.4 -1,-0.1 -2,-0.6 82,-0.1 0.701 90.7 41.6 -60.9 -25.6 -30.1 14.8 13.4 63 89 A N T 3 S+ 0 0 124 80,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.012 107.9 61.0-117.2 29.2 -31.5 18.3 13.1 64 90 A Q S < S- 0 0 115 -3,-1.3 2,-0.8 0, 0.0 -3,-0.3 -0.926 71.1-134.9-157.0 125.5 -34.3 18.4 15.7 65 91 A N + 0 0 111 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.751 27.7 170.9 -84.5 111.1 -34.2 17.8 19.4 66 92 A D - 0 0 65 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.643 53.4-101.2 -98.1 -18.8 -37.1 15.4 20.2 67 93 A G S S+ 0 0 64 -9,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.327 103.3 82.7 121.4 -7.3 -36.3 14.6 23.9 68 94 A T + 0 0 23 -10,-0.3 2,-0.1 40,-0.1 -9,-0.1 0.478 69.3 107.2-100.8 -5.4 -34.7 11.2 24.0 69 95 A E - 0 0 18 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.435 44.7-171.1 -82.5 146.7 -31.2 12.4 23.1 70 96 A Q E -O 57 0C 34 -13,-1.9 -13,-2.1 -2,-0.1 2,-0.6 -0.996 11.0-153.9-130.9 135.1 -28.2 12.7 25.3 71 97 A Y E +O 56 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 20.5 171.4-115.1 114.1 -25.0 14.4 24.1 72 98 A V E -O 55 0C 6 -17,-2.5 -17,-3.2 -2,-0.6 -2,-0.0 -0.960 28.0-120.7-128.8 143.7 -21.7 13.4 25.6 73 99 A G E -O 54 0C 31 -2,-0.4 27,-2.1 -19,-0.2 2,-0.6 -0.227 29.1-110.5 -70.7 164.2 -18.1 14.2 24.9 74 100 A V E -P 99 0C 30 -21,-1.6 25,-0.3 25,-0.2 -21,-0.2 -0.905 30.8-178.6 -98.9 123.2 -15.5 11.6 24.0 75 101 A Q E + 0 0 111 23,-2.7 2,-0.4 -2,-0.6 24,-0.2 0.855 66.0 10.2 -86.7 -43.8 -12.8 11.1 26.8 76 102 A K E -P 98 0C 77 22,-1.8 22,-2.3 2,-0.0 2,-0.5 -1.000 58.4-153.6-145.8 136.9 -10.5 8.6 25.3 77 103 A I E -P 97 0C 59 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.961 8.3-172.5-113.0 126.4 -10.1 6.9 21.9 78 104 A V E -P 96 0C 27 18,-2.8 18,-2.3 -2,-0.5 2,-0.3 -0.869 7.7-168.9-120.1 96.3 -8.5 3.5 21.7 79 105 A V E -P 95 0C 41 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.611 39.0 -96.8 -79.4 140.0 -7.9 2.5 18.0 80 106 A H > - 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