==== 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 04-SEP-02 1MMJ . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.KINOSHITA . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.6 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 33.8 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 . 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 . 1 0.4 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.8 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 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 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 5 2 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 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 1 N V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 116.5 -11.5 33.7 36.4 2 2 N V B 3 +A 182 0A 11 180,-2.4 180,-1.8 1,-0.2 134,-0.1 -0.779 360.0 15.6 -89.1 147.1 -15.0 34.5 35.0 3 3 N G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.732 98.0 139.7 62.4 22.8 -16.2 38.1 35.7 4 4 N G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.256 46.3-136.6 -81.9 178.0 -12.8 39.4 36.7 5 5 N T E -B 147 0B 88 142,-2.9 142,-2.8 -2,-0.1 2,-0.2 -0.971 36.3 -94.7-123.8 152.4 -10.9 42.5 36.1 6 6 N E E -B 146 0B 100 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.390 41.4-129.4 -72.6 138.0 -7.2 42.7 35.2 7 7 N A - 0 0 5 138,-2.4 138,-0.1 -2,-0.2 2,-0.1 -0.471 22.3-100.2 -79.5 154.4 -4.9 43.1 38.1 8 8 N Q > - 0 0 121 -2,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.456 39.5-110.5 -67.8 157.6 -2.1 45.8 38.5 9 9 N R T 3 S+ 0 0 119 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.799 114.2 36.5 -68.8 -30.7 1.3 44.4 37.8 10 10 N N T 3 S+ 0 0 75 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.321 90.0 94.0-102.5 14.1 2.5 44.6 41.4 11 11 N S S < S+ 0 0 51 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.880 94.1 24.0 -70.8 -28.7 -0.7 43.7 43.3 12 12 N W > + 0 0 29 -4,-0.4 3,-1.7 -3,-0.2 -1,-0.2 -0.760 67.4 168.3-141.9 59.4 -0.4 39.8 44.0 13 13 N P T 3 S+ 0 0 35 0, 0.0 97,-2.2 0, 0.0 45,-0.2 0.379 71.2 64.2 -71.0 -11.2 3.4 39.1 43.8 14 14 N S T 3 S+ 0 0 10 95,-0.2 20,-2.8 97,-0.1 98,-0.2 0.491 78.4 115.1 -81.6 -13.0 3.2 35.6 45.2 15 15 N Q E < -I 33 0C 9 -3,-1.7 43,-0.5 18,-0.2 44,-0.4 -0.292 45.8-175.5 -56.3 129.9 1.1 34.5 42.1 16 16 N I E -IJ 32 57C 2 16,-1.8 16,-0.8 41,-0.1 2,-0.6 -0.977 23.7-134.5-126.2 158.8 2.8 32.0 39.8 17 17 N S E -IJ 31 56C 0 39,-2.3 39,-1.8 -2,-0.3 2,-0.6 -0.909 17.9-153.3-108.8 124.9 2.0 30.3 36.5 18 18 N L E -IJ 30 55C 0 12,-4.1 11,-3.6 -2,-0.6 12,-2.0 -0.857 24.1-178.3-100.3 128.8 2.6 26.6 36.4 19 19 N Q E -IJ 28 54C 8 35,-3.0 35,-2.8 -2,-0.6 2,-0.4 -0.909 17.9-144.8-125.6 155.9 3.4 25.4 33.0 20 20 N Y E -IJ 27 53C 69 7,-2.8 7,-2.1 -2,-0.3 2,-0.6 -0.799 31.8-100.8-118.9 157.1 4.1 22.4 30.9 21 21 N R E +I 26 0C 156 31,-2.5 31,-0.2 -2,-0.4 5,-0.2 -0.549 40.0 173.4 -64.6 116.7 6.1 21.3 28.1 22 22 N S - 0 0 59 3,-2.1 4,-0.2 -2,-0.6 -1,-0.1 0.592 57.4 -89.1-129.2 -22.4 3.7 21.3 25.1 23 23 N G S S+ 0 0 48 2,-1.1 3,-0.1 -3,-0.1 -2,-0.0 0.931 103.7 12.4 115.1 110.4 6.0 20.7 22.9 24 24 N S S S+ 0 0 129 1,-0.2 2,-0.2 0, 0.0 -3,-0.0 -0.490 134.8 21.5 63.4 -32.2 8.0 22.8 21.1 25 25 N S S S- 0 0 68 -5,-0.0 -3,-2.1 2,-0.0 -2,-1.1 -0.611 87.0 -93.1-134.1-149.3 6.7 25.5 23.5 26 26 N W E -I 21 0C 80 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.959 23.9-157.6-132.5 159.8 5.1 25.9 26.9 27 27 N A E -I 20 0C 21 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.1 -0.970 19.9-125.8-136.3 119.0 1.7 26.0 28.1 28 28 N H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.328 34.1 165.0 -51.4 128.3 0.2 27.5 31.3 29 29 N T E - 0 0 30 -11,-3.6 2,-0.3 1,-0.4 157,-0.3 0.629 57.9 -6.6-118.5 -20.1 -1.9 24.8 33.0 30 30 N a E -I 18 0C 3 -12,-2.0 -12,-4.1 157,-0.1 -1,-0.4 -0.977 61.2-109.6-155.5 179.2 -2.4 26.1 36.6 31 31 N G E +I 17 0C 2 157,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.180 30.2 177.9-102.7 178.3 -1.7 28.8 39.1 32 32 N G E -I 16 0C 0 -16,-0.8 -16,-1.8 10,-0.1 2,-0.4 -0.942 25.5-118.6-168.9 169.2 0.5 28.4 42.3 33 33 N T E -IK 15 41C 1 8,-2.7 8,-2.5 -2,-0.3 2,-0.2 -0.981 22.7-123.7-128.5 130.1 1.7 30.6 45.2 34 34 N L E + K 0 40C 1 -20,-2.8 78,-3.3 -2,-0.4 6,-0.2 -0.496 39.5 162.9 -57.0 117.2 5.4 31.3 46.0 35 35 N I E + 0 0 2 4,-2.1 2,-0.3 1,-0.5 5,-0.2 0.504 68.4 11.1-120.0 -21.5 5.7 30.3 49.7 36 36 N R E > S- K 0 39C 91 3,-2.0 3,-1.4 74,-0.1 -1,-0.5 -0.938 85.9-102.1-140.5 178.0 9.5 30.0 49.8 37 37 N Q T 3 S+ 0 0 84 1,-0.3 66,-1.4 -2,-0.3 64,-0.1 0.559 125.8 27.3 -81.2 1.8 12.2 31.0 47.4 38 38 N N T 3 S+ 0 0 50 64,-0.2 61,-1.8 62,-0.1 2,-0.3 -0.047 116.1 75.1-142.5 17.4 12.5 27.4 46.3 39 39 N W E < -KL 36 98C 3 -3,-1.4 -4,-2.1 59,-0.2 -3,-2.0 -1.000 51.0-175.4-146.5 132.7 9.1 26.3 47.1 40 40 N V E -KL 34 97C 0 57,-2.2 57,-2.2 -2,-0.3 2,-0.4 -0.996 16.9-141.4-131.8 146.0 5.7 26.7 45.6 41 41 N M E +KL 33 96C 1 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.2 -0.841 36.2 144.8-103.1 124.3 2.2 25.6 46.7 42 42 N T E - L 0 95C 0 53,-2.4 53,-2.5 -2,-0.4 2,-0.3 -0.810 51.7 -67.3-145.5-167.5 -0.3 24.3 44.1 43 43 N A >> - 0 0 0 -12,-0.4 3,-2.6 51,-0.2 4,-0.8 -0.695 34.2-131.4 -92.2 141.6 -3.2 21.7 43.7 44 44 N A G >4 S+ 0 0 0 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.882 107.5 58.1 -56.5 -30.4 -2.4 18.0 43.8 45 45 N H G >4 S+ 0 0 45 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.644 95.0 63.3 -80.7 -2.1 -4.5 17.4 40.6 46 46 N a G <4 S+ 0 0 0 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.743 110.1 41.1 -85.6 -17.7 -2.4 20.0 38.5 47 47 N V G << S+ 0 0 12 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.024 83.7 109.0-112.5 29.3 0.6 17.7 39.0 48 48 N D < + 0 0 58 -3,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.414 67.7 68.6 -67.9 -3.6 -1.2 14.4 38.5 49 49 N R S S- 0 0 73 -3,-0.2 2,-1.5 -4,-0.0 -3,-0.0 -0.627 88.8 -99.7-137.7 146.7 0.3 13.6 35.2 50 50 N E S S+ 0 0 193 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.607 73.4 116.1 -87.1 96.7 3.4 12.7 33.4 51 51 N L - 0 0 69 -2,-1.5 2,-0.4 -4,-0.1 -29,-0.1 -0.896 68.5-102.6-139.0 164.4 4.5 16.1 31.9 52 52 N T - 0 0 67 -2,-0.3 -31,-2.5 -31,-0.2 2,-0.3 -0.871 41.9-152.2 -85.8 131.6 7.6 18.3 32.4 53 53 N F E +J 20 0C 16 -2,-0.4 21,-1.2 -33,-0.2 2,-0.4 -0.733 18.2 177.0-109.7 143.6 6.8 21.4 34.6 54 54 N R E -JM 19 73C 50 -35,-2.8 -35,-3.0 -2,-0.3 2,-0.4 -0.992 18.3-140.6-134.8 156.8 8.3 24.8 34.9 55 55 N V E -JM 18 72C 0 17,-3.0 17,-2.2 -2,-0.4 2,-0.5 -0.918 7.3-159.0-115.9 146.4 7.4 27.7 37.0 56 56 N V E -JM 17 71C 0 -39,-1.8 -39,-2.3 -2,-0.4 2,-0.3 -0.987 10.1-175.1-123.8 113.1 7.2 31.4 36.0 57 57 N V E +JM 16 70C 2 13,-2.6 13,-2.6 -2,-0.5 52,-0.1 -0.868 68.0 35.7-100.6 153.9 7.4 34.0 38.6 58 58 N G S S+ 0 0 7 50,-0.5 2,-0.4 -43,-0.5 10,-0.3 0.799 84.5 153.0 74.8 21.4 7.0 37.9 37.9 59 59 N E + 0 0 17 -44,-0.4 -1,-0.3 -3,-0.2 3,-0.1 -0.795 18.2 150.5 -92.0 129.5 4.5 37.0 35.2 60 60 N H S S+ 0 0 15 -2,-0.4 85,-1.6 1,-0.4 2,-0.4 0.659 74.9 32.1-118.7 -54.9 1.7 39.5 34.3 61 61 N N B -O 144 0D 12 3,-0.3 -1,-0.4 83,-0.2 83,-0.2 -0.982 66.9-152.5-109.1 125.9 1.0 38.6 30.5 62 62 N L S S+ 0 0 49 81,-1.5 -1,-0.1 -2,-0.4 2,-0.1 0.783 93.6 37.4 -72.7 -27.6 1.5 35.0 29.5 63 63 N N S S+ 0 0 74 80,-0.3 -2,-0.2 -3,-0.1 -3,-0.1 -0.198 104.9 53.8 -94.1-166.0 2.3 36.2 26.1 64 64 N Q S S- 0 0 123 -2,-0.1 2,-0.4 1,-0.1 -3,-0.3 0.763 90.1 -95.4 49.0 114.1 4.3 39.4 25.8 65 65 N N - 0 0 141 1,-0.2 -1,-0.1 2,-0.1 -3,-0.1 -0.471 33.3-169.2 -54.9 119.5 7.6 40.0 27.5 66 66 N D - 0 0 25 -2,-0.4 -1,-0.2 -5,-0.2 -2,-0.0 0.692 30.5-128.2 -89.1 -20.8 7.0 41.8 30.7 67 67 N G S S+ 0 0 68 1,-0.0 -2,-0.1 2,-0.0 -1,-0.1 0.288 98.1 72.7 87.4 -11.7 10.6 42.7 31.6 68 68 N T + 0 0 27 -10,-0.3 40,-0.1 40,-0.0 -9,-0.1 0.424 67.0 124.1-117.7 4.1 10.0 41.1 35.1 69 69 N E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.290 34.0-171.4 -83.3 138.0 9.9 37.3 34.5 70 70 N Q E -M 57 0C 43 -13,-2.6 -13,-2.6 -2,-0.1 2,-0.4 -0.976 9.3-158.2-126.6 132.7 11.9 34.5 36.0 71 71 N Y E +M 56 0C 119 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 17.5 170.0-113.8 127.4 11.8 31.0 34.7 72 72 N V E -M 55 0C 22 -17,-2.2 -17,-3.0 -2,-0.4 -2,-0.0 -1.000 26.4-122.1-147.0 130.1 12.8 28.1 36.9 73 73 N G E -M 54 0C 33 -2,-0.4 27,-3.0 -19,-0.2 2,-0.6 -0.180 23.8-115.0 -73.3 158.5 12.5 24.4 36.6 74 74 N V E +N 99 0C 37 -21,-1.2 25,-0.2 25,-0.2 -21,-0.2 -0.881 28.9 175.9-103.6 126.9 10.8 21.9 39.0 75 75 N Q E + 0 0 107 23,-2.9 2,-0.3 -2,-0.6 24,-0.2 0.722 65.4 16.5 -88.9 -25.7 13.1 19.5 40.8 76 76 N K E -N 98 0C 61 22,-1.2 22,-2.8 2,-0.0 2,-0.5 -0.944 55.3-155.8-168.6 118.4 10.7 17.6 43.1 77 77 N I E -N 97 0C 70 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.979 8.8-173.7-110.3 117.4 6.9 17.1 43.5 78 78 N V E -N 96 0C 30 18,-2.1 18,-2.9 -2,-0.5 2,-0.4 -0.970 9.8-171.2-108.6 107.4 5.4 16.2 47.0 79 79 N V E -N 95 0C 46 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.867 39.9 -88.6 -87.8 142.9 1.7 15.4 46.7 80 80 N H > - 0 0 23 14,-2.2 3,-1.9 -2,-0.4 14,-0.1 -0.239 36.5-128.0 -45.5 129.1 -0.4 14.9 49.9 81 81 N P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.834 107.4 49.5 -54.0 -31.9 -0.1 11.2 50.8 82 82 N Y T 3 S+ 0 0 158 2,-0.0 2,-0.1 10,-0.0 -2,-0.1 0.508 79.4 117.9 -86.7 -5.3 -3.9 11.0 51.0 83 83 N W < - 0 0 27 -3,-1.9 2,-0.6 9,-0.2 9,-0.1 -0.329 44.7-166.5 -46.9 131.6 -4.8 12.7 47.6 84 84 N N > - 0 0 71 7,-0.5 3,-3.1 3,-0.3 6,-0.2 -0.889 16.4-146.6-131.3 117.0 -6.6 10.3 45.3 85 85 N T T 3 S+ 0 0 85 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.795 95.7 58.8 -45.1 -35.9 -6.9 11.3 41.7 86 86 N D T 3 S+ 0 0 143 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.548 105.9 48.8 -63.1 -16.6 -10.2 9.7 41.3 87 87 N D X> + 0 0 78 -3,-3.1 3,-1.2 4,-0.1 4,-0.6 -0.657 47.9 166.9-135.0 71.1 -11.9 11.7 44.0 88 88 N V G >4 S+ 0 0 53 -3,-0.3 3,-0.9 1,-0.2 5,-0.2 0.865 83.3 63.4 -55.9 -24.7 -11.4 15.6 44.1 89 89 N A G 34 S+ 0 0 33 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.735 86.1 65.2 -84.1 -13.2 -14.2 15.6 46.5 90 90 N A G <4 S- 0 0 33 -3,-1.2 -1,-0.2 -6,-0.2 2,-0.2 0.800 101.4-141.8 -59.4 -27.6 -12.5 13.7 49.2 91 91 N G << + 0 0 2 -3,-0.9 -7,-0.5 -4,-0.6 -1,-0.2 -0.653 64.7 122.5 92.9-156.3 -10.0 16.7 49.5 92 92 N Y + 0 0 75 -2,-0.2 2,-2.7 1,-0.2 -12,-0.3 0.702 37.0 156.9 66.9 29.4 -6.2 16.6 50.1 93 93 N D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.415 29.4 111.8 -93.3 86.7 -5.9 18.5 46.9 94 94 N I + 0 0 0 -2,-2.7 -14,-2.2 -51,-0.3 2,-0.3 -0.988 36.4 174.2-155.8 137.7 -2.6 19.9 47.7 95 95 N A E -LN 42 79C 0 -53,-2.5 -53,-2.4 -2,-0.3 2,-0.4 -0.969 17.7-146.5-148.8 147.5 1.1 19.7 46.5 96 96 N L E -LN 41 78C 0 -18,-2.9 -18,-2.1 -2,-0.3 2,-0.5 -0.849 13.8-156.9-111.8 148.9 4.4 21.3 47.0 97 97 N L E -LN 40 77C 0 -57,-2.2 -57,-2.2 -2,-0.4 2,-0.6 -0.941 8.5-144.8-135.3 118.2 7.0 21.7 44.3 98 98 N R E -LN 39 76C 36 -22,-2.8 -23,-2.9 -2,-0.5 -22,-1.2 -0.785 23.3-142.6 -79.5 116.9 10.7 22.1 44.9 99 99 N L E - 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