==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-AUG-02 1MCV . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.AY,K.HILPERT,N.KRAUSS,J.SCHNEIDER-MERGENER,W.HOEHNE . 268 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 65.3 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 . 88 32.8 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.4 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 . 7 3 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 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 A V > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.9 9.8 23.4 20.8 2 17 A V B 3 +A 182 0A 10 180,-3.1 180,-1.8 1,-0.2 134,-0.1 -0.774 360.0 9.4 -94.3 134.6 9.4 26.8 22.4 3 18 A G T 3 S+ 0 0 43 132,-0.7 -1,-0.2 -2,-0.4 146,-0.2 0.639 103.2 115.9 75.5 15.3 6.2 28.8 21.8 4 19 A G < - 0 0 31 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.012 56.0-124.7 -98.2-155.9 4.4 25.8 20.3 5 20 A T E -B 147 0B 87 142,-2.6 142,-2.4 -3,-0.1 2,-0.2 -0.973 37.6 -77.4-150.4 159.2 1.4 23.7 21.2 6 21 A E E -B 146 0B 92 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.426 49.9-130.7 -62.9 127.5 0.6 20.0 21.7 7 22 A A - 0 0 2 138,-2.7 2,-0.1 -2,-0.2 138,-0.1 -0.432 30.0 -95.9 -75.3 153.4 0.3 18.3 18.4 8 23 A Q > - 0 0 151 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 -0.495 61.8 -85.7 -66.0 141.4 -2.8 16.1 17.8 9 24 A R T 3 S- 0 0 128 1,-0.3 -1,-0.1 2,-0.1 51,-0.1 -0.247 107.2 -2.0 -58.9 133.0 -1.6 12.6 18.6 10 25 A N T 3 S+ 0 0 26 49,-0.3 -1,-0.3 2,-0.1 50,-0.1 0.649 89.8 129.2 63.5 19.6 -0.0 10.8 15.7 11 26 A S S < S+ 0 0 51 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.616 75.5 45.5 -77.6 -12.8 -0.6 13.8 13.4 12 27 A W S > S+ 0 0 32 -4,-0.2 3,-1.9 1,-0.1 -1,-0.3 -0.631 74.7 174.1-127.6 70.3 3.1 13.7 12.3 13 28 A P T 3 S+ 0 0 26 0, 0.0 97,-2.1 0, 0.0 45,-0.3 0.498 73.2 56.1 -56.7 -11.2 3.4 9.9 11.8 14 29 A S T 3 S+ 0 0 12 95,-0.2 20,-2.8 97,-0.1 2,-0.2 0.558 82.1 105.4 -99.3 -10.4 7.0 10.1 10.4 15 30 A Q E < -J 33 0C 4 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.512 52.3-174.1 -70.0 131.0 8.3 11.9 13.5 16 31 A I E -J 32 0C 1 16,-2.4 16,-0.9 -2,-0.2 2,-0.5 -0.838 24.1-127.1-125.6 164.2 10.4 9.6 15.7 17 32 A S E -JK 31 56C 0 39,-1.9 39,-2.0 -2,-0.3 2,-0.6 -0.961 17.7-153.8-112.0 121.0 12.1 9.8 19.1 18 33 A L E +JK 30 55C 0 12,-3.5 11,-2.8 -2,-0.5 12,-2.0 -0.858 23.0 178.5 -95.4 121.9 15.7 8.9 19.2 19 34 A Q E -JK 28 54C 10 35,-2.7 35,-2.4 -2,-0.6 2,-0.3 -0.916 19.9-145.3-127.6 151.2 16.7 7.7 22.7 20 35 A Y E -JK 27 53C 15 7,-2.4 7,-2.7 -2,-0.3 33,-0.2 -0.859 36.3 -94.3-113.7 150.3 19.9 6.3 24.3 21 36 A R E -J 26 0C 128 31,-2.3 2,-0.5 -2,-0.3 5,-0.3 -0.436 43.0-176.8 -64.2 127.3 20.1 3.7 27.0 22 36AA S E > -J 25 0C 41 3,-2.4 3,-2.3 -2,-0.2 2,-0.4 -0.908 54.8 -60.8-130.9 101.6 20.2 5.4 30.4 23 36BA G T 3 S- 0 0 76 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.455 119.5 -15.2 65.1-115.5 20.6 3.1 33.3 24 36CA S T 3 S+ 0 0 131 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.322 137.0 36.4-103.0 5.5 17.7 0.7 33.4 25 37 A S E < S-J 22 0C 69 -3,-2.3 -3,-2.4 -5,-0.1 2,-0.3 -0.485 85.4 -93.6-133.7-156.1 15.6 2.8 31.0 26 38 A W E -J 21 0C 62 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.973 23.4-150.3-132.6 146.8 15.9 5.0 27.9 27 39 A A E -J 20 0C 24 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.2 -0.970 18.5-125.4-123.8 128.6 16.3 8.8 27.5 28 40 A H E +J 19 0C 9 -2,-0.4 -9,-0.3 -9,-0.3 3,-0.1 -0.472 38.8 157.3 -66.9 134.2 15.0 10.9 24.6 29 41 A T E + 0 0 0 -11,-2.8 218,-2.6 1,-0.4 2,-0.3 0.591 58.5 9.5-127.4 -32.4 17.8 12.9 23.1 30 42 A a E -J 18 0C 0 -12,-2.0 -12,-3.5 216,-0.2 -1,-0.4 -0.935 58.6-124.2-147.9 168.5 16.7 13.7 19.5 31 43 A G E +J 17 0C 0 157,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.406 30.6 176.3-100.8-177.6 14.0 13.7 17.0 32 44 A G E -J 16 0C 0 -16,-0.9 -16,-2.4 -2,-0.2 2,-0.4 -0.968 27.6-113.2-175.0 170.9 14.2 12.1 13.6 33 45 A T E -JL 15 41C 0 8,-2.8 8,-3.1 -2,-0.3 2,-0.5 -0.986 22.4-132.7-125.9 124.8 12.2 11.3 10.5 34 46 A L E + L 0 40C 0 -20,-2.8 78,-4.0 -2,-0.4 6,-0.2 -0.627 33.1 166.3 -72.6 121.6 11.3 7.7 9.4 35 47 A I E + 0 0 2 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.613 65.4 14.6-112.2 -19.2 12.2 7.6 5.7 36 48 A R E > S- L 0 39C 86 3,-1.8 3,-1.3 74,-0.1 -1,-0.3 -0.936 88.3 -98.4-146.1 162.7 12.1 3.8 5.1 37 49 A Q T 3 S+ 0 0 90 -2,-0.3 66,-2.7 1,-0.3 64,-0.1 0.761 128.0 24.1 -57.6 -23.1 10.6 0.9 7.1 38 50 A N T 3 S+ 0 0 46 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.133 113.2 77.7-128.9 21.9 14.1 0.3 8.4 39 51 A W E < -LM 36 98C 7 -3,-1.3 -4,-2.3 59,-0.2 -3,-1.8 -0.997 51.0-169.9-136.1 135.1 15.8 3.7 8.0 40 52 A V E -LM 34 97C 0 57,-2.3 57,-3.0 -2,-0.4 2,-0.5 -0.967 13.3-145.2-124.2 138.4 15.6 6.9 10.0 41 53 A M E +LM 33 96C 0 -8,-3.1 -8,-2.8 -2,-0.4 2,-0.2 -0.883 35.6 144.3-102.3 130.2 17.0 10.4 9.1 42 54 A T E - M 0 95C 0 53,-2.6 53,-2.4 -2,-0.5 2,-0.3 -0.815 52.0 -67.8-147.8-173.8 18.4 12.5 11.9 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.3 -0.614 35.9-130.2 -85.3 145.5 21.1 15.0 12.6 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.910 106.8 58.8 -60.2 -42.0 24.7 13.8 12.6 45 57 A H G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.732 89.9 72.1 -63.4 -19.1 25.4 15.5 16.0 46 58 A a G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.709 107.9 35.8 -67.1 -18.1 22.7 13.4 17.6 47 59 A V G < S+ 0 0 16 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.115 81.5 106.4-121.8 20.8 25.0 10.4 17.2 48 60 A D S < S+ 0 0 51 -3,-1.3 2,-0.6 2,-0.1 -2,-0.1 0.880 74.7 68.0 -64.1 -36.9 28.4 12.1 17.9 49 61 A R S S- 0 0 47 -4,-0.4 2,-2.1 -3,-0.1 -1,-0.0 -0.757 91.5-134.5 -84.9 121.6 28.3 10.3 21.3 50 62 A E + 0 0 192 -2,-0.6 2,-0.1 2,-0.0 -1,-0.1 -0.456 53.3 140.9 -80.7 73.0 28.6 6.6 20.6 51 63 A L - 0 0 73 -2,-2.1 2,-0.7 1,-0.0 -31,-0.0 -0.298 62.6 -83.9-101.1-175.8 25.9 5.4 22.9 52 64 A T - 0 0 76 -31,-0.2 -31,-2.3 -2,-0.1 2,-0.3 -0.860 54.6-167.2 -95.1 117.6 23.3 2.7 22.6 53 65 A F E +K 20 0C 9 -2,-0.7 21,-2.5 21,-0.3 2,-0.3 -0.767 17.0 179.9-111.4 153.8 20.3 4.1 20.6 54 65AA R E -KN 19 73C 49 -35,-2.4 -35,-2.7 -2,-0.3 2,-0.4 -0.958 19.6-134.5-142.2 156.9 16.7 3.0 19.9 55 66 A V E -KN 18 72C 0 17,-3.6 17,-2.4 -2,-0.3 2,-0.6 -0.928 7.1-156.0-117.9 140.8 14.0 4.6 17.9 56 67 A V E -KN 17 71C 0 -39,-2.0 -39,-1.9 -2,-0.4 3,-0.4 -0.969 12.8-170.6-117.3 116.4 10.4 5.0 18.9 57 68 A V E + N 0 70C 0 13,-2.1 13,-1.5 -2,-0.6 52,-0.1 -0.711 69.9 26.5-101.0 157.2 7.9 5.3 16.1 58 69 A G S S+ 0 0 3 50,-0.5 10,-0.2 -43,-0.5 -1,-0.2 0.678 88.2 154.7 66.5 18.6 4.2 6.3 16.7 59 70 A E + 0 0 10 -3,-0.4 -49,-0.3 -44,-0.4 -1,-0.2 -0.428 19.1 152.6 -81.1 151.8 5.1 8.1 19.9 60 71 A H S S+ 0 0 0 1,-0.3 85,-1.7 4,-0.2 2,-0.6 0.430 71.8 35.0-137.8 -56.4 3.2 11.0 21.4 61 72 A N B > -P 144 0D 7 3,-0.3 3,-1.3 83,-0.2 -1,-0.3 -0.946 66.1-155.5-111.3 115.3 3.8 11.0 25.2 62 73 A L T 3 S+ 0 0 32 81,-2.3 -1,-0.1 -2,-0.6 82,-0.1 0.706 93.5 37.7 -60.6 -23.3 7.3 10.0 26.1 63 74 A N T 3 S+ 0 0 118 80,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.224 109.4 64.5-117.5 15.6 6.3 8.9 29.6 64 75 A Q S < S- 0 0 120 -3,-1.3 2,-0.6 79,-0.2 -3,-0.3 -0.989 83.8-109.6-138.3 145.7 2.9 7.3 29.0 65 76 A N + 0 0 138 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.652 32.8 177.2 -76.5 117.1 1.7 4.3 27.0 66 77 A D - 0 0 26 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.507 39.1-127.3 -96.8 -8.9 -0.2 5.6 24.0 67 78 A G S S+ 0 0 58 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.593 94.6 80.3 72.6 11.9 -0.9 2.2 22.5 68 79 A T + 0 0 16 -10,-0.2 2,-0.1 40,-0.1 -1,-0.1 0.373 65.6 111.1-126.9 -0.5 0.6 3.3 19.2 69 80 A E - 0 0 25 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.387 41.3-169.3 -82.7 156.4 4.3 3.0 19.8 70 81 A Q E -N 57 0C 47 -13,-1.5 -13,-2.1 -2,-0.1 2,-0.5 -0.986 12.8-150.4-139.3 131.1 6.9 0.5 18.3 71 82 A Y E +N 56 0C 118 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.927 21.2 168.2-111.0 126.0 10.4 0.3 19.8 72 83 A V E -N 55 0C 8 -17,-2.4 -17,-3.6 -2,-0.5 -2,-0.1 -0.999 29.7-121.4-138.6 136.7 13.3 -0.7 17.6 73 84 A G E -N 54 0C 27 -2,-0.4 27,-2.7 -19,-0.3 2,-0.7 -0.326 24.8-115.4 -74.7 156.2 17.0 -0.6 18.2 74 85 A V E +O 99 0C 23 -21,-2.5 -21,-0.3 25,-0.2 25,-0.2 -0.851 37.0 174.6 -91.3 116.4 19.4 1.3 16.0 75 86 A Q E + 0 0 106 23,-2.1 2,-0.3 -2,-0.7 24,-0.2 0.926 60.8 17.5 -88.7 -55.9 21.6 -1.3 14.4 76 87 A K E -O 98 0C 98 22,-1.7 22,-2.3 2,-0.0 2,-0.4 -0.876 63.1-157.1-120.8 153.5 23.9 0.6 12.0 77 88 A I E -O 97 0C 70 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.993 4.7-170.6-133.9 129.5 24.7 4.3 11.7 78 89 A V E -O 96 0C 51 18,-2.8 18,-2.7 -2,-0.4 2,-0.3 -0.946 9.9-168.7-121.6 110.3 25.9 6.2 8.6 79 90 A V E -O 95 0C 53 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.736 37.5 -94.9 -96.7 144.4 27.1 9.8 9.2 80 91 A H > - 0 0 23 14,-2.1 3,-2.0 -2,-0.3 14,-0.1 -0.382 33.4-129.9 -58.5 129.7 27.7 12.2 6.4 81 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.747 105.4 52.8 -52.8 -29.6 31.5 12.0 5.6 82 93 A Y T 3 S+ 0 0 156 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.527 79.5 119.5 -87.7 -5.5 31.9 15.8 5.7 83 94 A W < - 0 0 30 -3,-2.0 2,-0.5 9,-0.2 9,-0.1 -0.392 43.2-169.8 -62.3 133.4 30.2 16.2 9.1 84 95 A N > - 0 0 72 7,-0.5 3,-2.6 3,-0.3 6,-0.2 -0.942 16.5-157.7-129.7 107.5 32.6 17.7 11.6 85 96 A T T 3 S+ 0 0 48 -2,-0.5 173,-0.5 1,-0.3 3,-0.4 0.751 95.3 58.3 -55.3 -24.7 31.5 17.7 15.2 86 97 A D T 3 S+ 0 0 143 1,-0.2 -1,-0.3 171,-0.1 3,-0.1 0.501 112.9 37.4 -85.5 -3.2 33.8 20.6 15.9 87 98 A D X + 0 0 75 -3,-2.6 3,-1.7 4,-0.1 4,-0.4 -0.513 55.6 164.3-149.2 75.5 32.2 22.8 13.3 88 99 A V G > S+ 0 0 7 -3,-0.4 3,-1.6 1,-0.3 5,-0.2 0.818 78.6 66.8 -61.4 -30.0 28.4 22.5 13.1 89 99AA A G 3 S+ 0 0 15 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.700 87.2 68.3 -64.6 -19.7 28.3 25.7 11.1 90 99BA A G < S- 0 0 36 -3,-1.7 -1,-0.3 1,-0.3 2,-0.2 0.716 101.1-144.2 -72.2 -19.9 30.1 24.0 8.3 91 100 A G < + 0 0 3 -3,-1.6 -7,-0.5 -4,-0.4 -1,-0.3 -0.604 65.3 121.0 95.9-155.6 27.0 21.9 7.7 92 101 A Y + 0 0 76 -2,-0.2 2,-2.2 1,-0.2 -12,-0.3 0.713 37.4 158.5 61.9 22.7 26.6 18.3 6.7 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.488 31.8 107.8 -79.1 76.9 24.7 17.7 9.9 94 103 A I + 0 0 0 -2,-2.2 -14,-2.1 -51,-0.3 2,-0.3 -0.994 37.2 172.2-153.5 146.0 22.8 14.6 8.8 95 104 A A E -MO 42 79C 0 -53,-2.4 -53,-2.6 -2,-0.3 2,-0.4 -0.987 21.9-136.0-153.1 152.9 23.0 10.9 9.5 96 105 A L E -MO 41 78C 0 -18,-2.7 -18,-2.8 -2,-0.3 2,-0.5 -0.928 12.8-154.8-114.9 139.3 20.9 7.8 8.6 97 106 A L E -MO 40 77C 0 -57,-3.0 -57,-2.3 -2,-0.4 2,-0.6 -0.957 5.4-151.1-116.3 120.4 20.1 5.1 11.1 98 107 A R E -MO 39 76C 62 -22,-2.3 -23,-2.1 -2,-0.5 -22,-1.7 -0.811 24.0-133.2 -91.1 124.5 19.4 1.6 9.9 99 108 A L E - 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