==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 24-AUG-98 1BRU . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.JHOTI,O.M.P.SINGH,A.WONACOTT . 241 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.1 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 . 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 . 3 2 2 4 3 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 P V 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.1 28.6 48.7 7.6 2 17 P V B +A 182 0A 10 180,-2.2 180,-1.6 1,-0.2 134,-0.2 -0.789 360.0 8.2 -93.0 138.7 26.2 48.3 4.6 3 18 P G S S+ 0 0 47 132,-0.6 146,-0.2 -2,-0.4 -1,-0.2 0.660 104.4 112.5 73.6 13.0 27.2 49.7 1.2 4 19 P G - 0 0 33 -3,-0.4 2,-0.3 178,-0.1 144,-0.2 -0.097 55.3-123.9-100.4-158.2 30.7 50.6 2.3 5 20 P E E -B 147 0B 111 142,-3.0 142,-3.1 -3,-0.1 2,-0.1 -0.954 35.9 -71.1-145.6 165.2 34.2 49.5 1.4 6 21 P D E -B 146 0B 101 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.356 49.8-127.8 -56.9 130.8 37.4 48.2 3.0 7 22 P A - 0 0 3 138,-3.4 3,-0.1 1,-0.1 -1,-0.1 -0.427 31.4 -97.3 -68.8 156.8 39.2 50.9 5.0 8 23 P R > - 0 0 205 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.582 59.0 -83.0 -66.5 138.7 42.9 51.4 4.2 9 24 P P T 3 S- 0 0 83 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 -0.050 106.8 -9.1 -46.0 128.1 45.0 49.4 6.7 10 25 P N T 3 S+ 0 0 48 49,-0.2 50,-0.1 1,-0.1 -2,-0.0 0.594 93.0 128.0 61.0 10.5 45.5 51.3 10.0 11 26 P S S < S+ 0 0 48 -3,-2.4 -1,-0.1 1,-0.3 3,-0.1 0.670 72.1 49.1 -75.5 -11.5 44.0 54.5 8.6 12 27 P W S > S+ 0 0 19 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.612 71.4 171.4-119.1 75.0 41.6 54.8 11.5 13 28 P P T 3 S+ 0 0 15 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.608 70.4 58.2 -71.7 -10.2 44.1 54.3 14.3 14 29 P W T 3 S+ 0 0 26 95,-0.2 20,-2.7 97,-0.1 2,-0.3 0.505 79.4 111.1 -86.5 -6.4 41.6 55.1 17.1 15 30 P Q E < -J 33 0C 7 -3,-2.0 43,-0.5 18,-0.2 44,-0.4 -0.507 49.7-165.1 -77.0 131.6 39.1 52.4 16.2 16 31 P V E -JK 32 57C 0 16,-2.7 16,-0.8 -2,-0.3 2,-0.6 -0.789 20.3-134.8-112.9 154.8 38.8 49.6 18.7 17 32 P S E -JK 31 56C 0 39,-2.8 39,-3.0 -2,-0.3 2,-0.7 -0.935 19.3-154.2-100.9 124.3 37.3 46.2 18.7 18 33 P L E +JK 30 55C 0 12,-3.2 11,-2.5 -2,-0.6 12,-2.0 -0.838 22.9 178.4 -97.7 118.7 35.3 45.5 21.8 19 34 P Q E -JK 28 54C 10 35,-3.0 35,-2.5 -2,-0.7 2,-0.3 -0.850 15.6-157.2-121.5 149.0 35.2 41.8 22.5 20 35 P Y E -JK 27 53C 33 7,-2.6 7,-2.6 -2,-0.3 2,-1.0 -0.869 31.6 -96.7-125.1 164.3 33.8 39.5 25.1 21 36 P D E -J 26 0C 63 31,-2.3 2,-0.8 -2,-0.3 31,-0.3 -0.594 37.9-178.4 -81.8 110.8 34.5 36.1 26.4 22 36AP S E > -J 25 0C 31 3,-3.6 3,-2.1 -2,-1.0 -1,-0.1 -0.811 68.7 -43.6-112.7 96.6 32.3 33.7 24.8 23 36BP S T 3 S- 0 0 118 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.895 122.0 -41.6 55.7 43.1 32.8 30.1 26.0 24 36CP G T 3 S+ 0 0 64 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.523 123.9 104.5 70.9 2.7 36.5 30.4 25.9 25 37 P Q E < S-J 22 0C 111 -3,-2.1 -3,-3.6 2,-0.0 2,-0.5 -0.950 71.6-128.7-110.0 138.5 36.4 32.3 22.6 26 38 P W E -J 21 0C 107 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.653 32.8-166.8 -75.2 124.1 36.9 35.9 22.3 27 39 P R E -J 20 0C 130 -7,-2.6 -7,-2.6 -2,-0.5 2,-0.1 -0.962 20.0-123.6-121.9 120.7 34.0 37.3 20.3 28 40 P H E +J 19 0C 26 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.345 40.6 154.0 -52.4 131.3 33.5 40.7 18.6 29 41 P T E + 0 0 41 -11,-2.5 2,-0.3 1,-0.4 159,-0.2 0.601 57.2 2.3-129.7 -31.7 30.4 42.5 19.9 30 42 P a E -J 18 0C 5 -12,-2.0 -12,-3.2 157,-0.1 -1,-0.4 -0.970 60.4-118.8-146.7 166.0 30.9 46.2 19.5 31 43 P G E +J 17 0C 2 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.371 30.2 173.9 -94.4-174.8 33.2 49.0 18.3 32 44 P G E -J 16 0C 0 -16,-0.8 -16,-2.7 10,-0.1 2,-0.4 -0.991 26.0-113.7-173.3 174.8 34.8 51.8 20.2 33 45 P T E -JL 15 41C 3 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.990 21.9-129.2-130.6 128.6 37.2 54.7 20.2 34 46 P L E + L 0 40C 0 -20,-2.7 78,-3.1 -2,-0.4 6,-0.2 -0.585 34.2 168.4 -67.7 120.2 40.5 55.0 22.1 35 47 P V E + 0 0 18 4,-3.1 2,-0.3 -2,-0.5 5,-0.2 0.635 63.2 2.2-117.6 -9.5 40.2 58.4 23.7 36 48 P D E > S- L 0 39C 58 3,-1.2 3,-1.5 74,-0.1 -1,-0.4 -0.930 88.5 -91.6-160.7 158.8 43.1 58.5 26.2 37 49 P Q T 3 S+ 0 0 83 -2,-0.3 66,-2.2 1,-0.3 64,-0.1 0.739 127.8 33.9 -54.9 -19.2 45.8 55.9 26.8 38 50 P S T 3 S+ 0 0 23 64,-0.2 61,-2.8 1,-0.1 2,-0.5 0.480 110.9 68.1-110.0 -2.1 43.7 54.3 29.5 39 51 P W E < -LM 36 98C 5 -3,-1.5 -4,-3.1 59,-0.2 -3,-1.2 -0.947 50.2-163.8-134.2 132.0 40.1 54.8 28.2 40 52 P V E -LM 34 97C 0 57,-2.9 57,-3.3 -2,-0.5 2,-0.4 -0.911 16.1-143.8-105.6 134.7 37.9 53.6 25.5 41 53 P L E +LM 33 96C 1 -8,-3.1 -8,-2.5 -2,-0.5 2,-0.2 -0.764 37.3 139.4 -89.4 134.2 34.7 55.3 24.5 42 54 P T E - M 0 95C 0 53,-2.5 53,-2.0 -2,-0.4 2,-0.5 -0.856 52.4 -66.0-153.0-168.8 31.7 53.1 23.4 43 55 P A > - 0 0 0 -12,-0.4 3,-2.0 -2,-0.2 4,-0.3 -0.780 31.4-136.3 -92.7 134.6 28.0 52.7 23.6 44 56 P A G > S+ 0 0 2 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.847 102.9 65.2 -49.2 -33.1 26.3 51.9 27.0 45 57 P H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 39,-0.0 143,-0.0 0.693 91.3 63.7 -69.5 -12.6 24.2 49.3 25.3 46 58 P a G < S+ 0 0 10 -3,-2.0 2,-0.6 -15,-0.1 -1,-0.3 0.572 90.1 89.3 -79.1 -9.4 27.2 47.2 24.4 47 59 P I < + 0 0 28 -3,-1.7 2,-0.5 -4,-0.3 3,-0.0 -0.781 45.6 175.7-103.3 123.1 27.9 46.7 28.1 48 60 P S > - 0 0 47 -2,-0.6 3,-2.4 1,-0.1 -3,-0.0 -0.962 27.1-144.0-116.3 123.3 26.7 44.0 30.3 49 61 P S T 3 S+ 0 0 123 -2,-0.5 -1,-0.1 1,-0.3 28,-0.0 0.733 100.9 58.9 -51.5 -24.3 28.0 43.9 33.8 50 62 P S T 3 S+ 0 0 101 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.682 92.2 82.0 -74.1 -22.8 28.0 40.1 33.6 51 63 P R S < S- 0 0 104 -3,-2.4 2,-0.5 -31,-0.0 -29,-0.1 -0.500 75.1-127.9 -82.7 158.2 30.3 39.8 30.6 52 64 P T - 0 0 66 -31,-0.3 -31,-2.3 -2,-0.2 2,-0.4 -0.913 30.7-152.8-104.9 135.2 34.0 39.9 30.6 53 65 P Y E +K 20 0C 6 -2,-0.5 21,-2.1 21,-0.3 2,-0.3 -0.798 22.2 173.3-111.4 138.7 35.7 42.3 28.2 54 65AP R E -KN 19 73C 56 -35,-2.5 -35,-3.0 -2,-0.4 2,-0.5 -0.970 21.2-141.3-128.9 158.7 38.8 42.9 26.2 55 66 P V E -KN 18 72C 0 17,-2.5 17,-2.5 -2,-0.3 2,-0.5 -0.948 6.7-150.7-115.6 132.6 39.6 45.5 23.7 56 67 P V E -KN 17 71C 1 -39,-3.0 -39,-2.8 -2,-0.5 2,-0.3 -0.915 20.3-174.8-106.2 127.8 41.6 44.9 20.5 57 68 P L E +KN 16 70C 3 13,-3.2 13,-2.3 -2,-0.5 -41,-0.1 -0.798 55.7 26.2-117.8 152.6 43.6 47.9 19.2 58 69 P G S S+ 0 0 4 -43,-0.5 2,-0.2 -45,-0.3 -1,-0.2 0.821 88.8 145.0 70.4 24.2 45.7 48.6 16.1 59 70 P R + 0 0 28 -44,-0.4 -1,-0.2 -3,-0.2 -49,-0.2 -0.617 34.4 164.0-101.4 154.4 43.8 46.1 14.1 60 71 P H S S+ 0 0 20 1,-0.5 85,-1.7 4,-0.2 2,-0.6 0.510 78.0 44.2-123.3 -60.9 42.6 45.7 10.5 61 72 P S B S-P 144 0D 6 83,-0.2 -1,-0.5 3,-0.2 3,-0.3 -0.794 71.7-149.3 -81.8 122.0 41.7 42.0 10.1 62 73 P L S S+ 0 0 37 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.781 94.9 44.2 -58.2 -29.1 39.7 40.8 13.1 63 74 P S S S+ 0 0 92 80,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.717 98.3 77.4 -93.8 -17.8 41.1 37.2 12.7 64 75 P T S S- 0 0 73 -3,-0.3 2,-1.7 79,-0.1 -4,-0.2 -0.770 74.0-134.1 -95.6 125.4 44.8 37.9 12.1 65 76 P N - 0 0 121 -2,-0.6 -3,-0.1 -6,-0.1 3,-0.1 -0.550 35.0-163.0 -74.3 98.2 47.2 38.7 14.9 66 77 P E > - 0 0 27 -2,-1.7 3,-2.4 -5,-0.2 -1,-0.0 -0.596 26.1 -97.3 -82.1 142.3 48.9 41.5 13.1 67 78 P P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.263 112.3 23.4 -55.6 136.9 52.2 42.9 14.3 68 79 P G T 3 S+ 0 0 54 1,-0.3 2,-0.3 -3,-0.1 40,-0.1 0.407 94.3 123.2 79.6 -7.5 51.6 45.9 16.4 69 80 P S < - 0 0 12 -3,-2.4 2,-0.4 -13,-0.0 -1,-0.3 -0.601 43.5-161.4 -83.3 153.2 48.1 45.0 17.3 70 81 P L E -N 57 0C 70 -13,-2.3 -13,-3.2 -2,-0.3 2,-0.5 -0.973 19.4-155.5-141.2 129.0 47.2 44.7 20.9 71 82 P A E -N 56 0C 49 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.886 20.3-176.3 -99.5 135.1 44.6 43.2 23.2 72 83 P V E -N 55 0C 13 -17,-2.5 -17,-2.5 -2,-0.5 2,-0.2 -0.981 26.1-117.3-128.2 136.7 44.1 44.7 26.6 73 84 P K E -N 54 0C 122 -2,-0.4 27,-3.6 -19,-0.2 2,-0.5 -0.462 26.1-130.4 -67.7 141.6 41.9 43.7 29.4 74 85 P V E +O 99 0C 10 -21,-2.1 -21,-0.3 25,-0.2 25,-0.3 -0.808 27.0 176.5 -92.7 128.3 39.1 46.1 30.4 75 86 P S E + 0 0 67 23,-3.4 2,-0.4 -2,-0.5 24,-0.2 0.696 58.5 33.6-112.9 -21.6 39.0 46.8 34.1 76 87 P K E -O 98 0C 77 22,-1.5 22,-2.9 2,-0.0 2,-0.6 -0.981 58.9-157.0-139.4 135.8 36.4 49.3 34.8 77 88 P L E -O 97 0C 59 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.911 8.9-175.5-108.6 115.6 33.0 50.0 33.1 78 89 P V E -O 96 0C 29 18,-3.0 18,-2.6 -2,-0.6 2,-0.2 -0.798 4.8-173.2-116.5 99.5 31.5 53.4 33.4 79 90 P V E -O 95 0C 54 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.560 40.1 -94.0 -80.8 141.8 27.9 53.8 31.9 80 91 P H > - 0 0 12 14,-2.7 3,-1.9 12,-0.2 -1,-0.1 -0.318 32.2-131.8 -53.2 129.7 26.3 57.1 31.7 81 92 P Q T 3 S+ 0 0 134 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.791 104.4 52.2 -60.8 -23.9 24.1 57.5 34.8 82 93 P D T 3 S+ 0 0 107 10,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.438 82.2 117.8 -88.6 2.7 21.1 58.7 32.7 83 94 P W < - 0 0 42 -3,-1.9 2,-0.5 11,-0.1 9,-0.1 -0.580 42.2-173.5 -69.9 128.2 21.3 55.8 30.4 84 95 P N > - 0 0 70 -2,-0.4 3,-1.5 7,-0.4 6,-0.2 -0.961 16.4-157.9-118.3 117.7 18.2 53.5 30.4 85 96 P S T 3 S+ 0 0 81 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.783 94.4 56.3 -64.9 -23.5 18.3 50.4 28.4 86 97 P N T 3 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.469 110.1 47.5 -85.6 -6.3 14.6 50.2 28.2 87 98 P Q X + 0 0 88 -3,-1.5 3,-1.9 1,-0.1 4,-0.4 -0.474 61.8 159.3-129.9 67.5 14.4 53.6 26.7 88 99 P L G > S+ 0 0 61 -3,-0.4 3,-1.9 1,-0.3 5,-0.2 0.917 70.2 65.2 -54.6 -39.8 17.0 53.6 24.0 89 99AP S G 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.550 87.6 71.2 -64.2 -3.8 15.3 56.6 22.2 90 99BP N G < S- 0 0 81 -3,-1.9 2,-0.3 1,-0.3 -1,-0.3 0.658 94.8-146.9 -83.5 -11.0 16.1 58.9 25.2 91 100 P G < + 0 0 3 -3,-1.9 -7,-0.4 -4,-0.4 -1,-0.3 -0.595 60.9 126.8 88.9-147.3 19.7 58.9 24.3 92 101 P N + 0 0 25 -2,-0.3 2,-2.0 1,-0.2 -12,-0.2 0.777 36.1 159.5 51.6 29.4 22.6 59.0 26.8 93 102 P D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 -1,-0.2 -0.523 26.7 119.8 -83.2 81.5 23.9 56.0 25.1 94 103 P I + 0 0 0 -2,-2.0 -14,-2.7 -51,-0.3 2,-0.3 -1.000 33.1 174.0-153.6 141.7 27.5 56.3 26.2 95 104 P A E -MO 42 79C 0 -53,-2.0 -53,-2.5 -2,-0.3 2,-0.5 -0.999 17.9-146.7-149.3 146.7 30.1 54.5 28.2 96 105 P L E -MO 41 78C 0 -18,-2.6 -18,-3.0 -2,-0.3 2,-0.5 -0.958 14.5-157.8-116.2 132.8 33.7 54.7 29.1 97 106 P L E -MO 40 77C 0 -57,-3.3 -57,-2.9 -2,-0.5 2,-0.5 -0.910 8.2-143.1-113.9 127.7 35.9 51.7 29.6 98 107 P K E -MO 39 76C 51 -22,-2.9 -23,-3.4 -2,-0.5 -22,-1.5 -0.721 16.8-134.5 -85.2 126.1 39.1 51.7 31.6 99 108 P L E - 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