==== 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 21-DEC-94 1AND . COMPND 2 MOLECULE: ANIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR R.J.FLETTERICK,M.E.MCGRATH . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 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 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 . 5 2 2 5 2 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 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 I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.0 0.3 49.7 50.5 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.5 1,-0.2 123,-0.1 -0.836 360.0 5.8-100.0 132.7 -1.1 53.0 52.0 3 18 A G S S+ 0 0 35 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.707 102.0 123.9 72.9 24.9 -2.8 55.4 49.6 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.076 57.6-113.3-102.7-164.3 -2.6 53.0 46.6 5 20 A Y E -B 137 0B 106 132,-2.3 132,-2.8 -3,-0.1 2,-0.3 -0.928 35.3 -94.1-133.4 154.7 -5.2 51.6 44.2 6 21 A T E -B 136 0B 64 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.583 47.1-121.7 -71.3 125.1 -6.4 47.9 43.7 7 22 A a - 0 0 2 128,-2.1 3,-0.2 -2,-0.3 128,-0.1 -0.402 30.0 -98.5 -69.4 145.1 -4.4 46.4 40.9 8 23 A Q > - 0 0 151 1,-0.2 3,-2.4 2,-0.1 4,-0.3 -0.342 64.9 -75.1 -55.9 140.9 -6.3 45.0 37.9 9 24 A E T 3 S- 0 0 84 1,-0.3 -1,-0.2 2,-0.1 44,-0.1 -0.227 111.2 -11.2 -52.9 118.0 -6.6 41.3 38.4 10 25 A N T 3 S+ 0 0 18 42,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.724 91.4 131.3 62.2 25.8 -3.3 39.5 37.7 11 26 A S S < S+ 0 0 65 -3,-2.4 -2,-0.1 1,-0.2 -1,-0.1 0.543 71.5 52.2 -77.3 -5.0 -1.8 42.7 36.1 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.646 72.6 171.9-125.8 77.9 1.4 42.2 38.3 13 28 A P T 3 + 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.612 68.6 57.6 -80.4 -8.7 2.1 38.6 37.4 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-1.7 88,-0.1 2,-0.3 0.445 80.0 111.8 -88.9 -7.6 5.5 38.2 39.1 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.589 47.1-174.2 -74.8 127.3 4.0 39.1 42.5 16 31 A V E -J 27 0C 1 11,-2.1 11,-1.2 -2,-0.3 2,-0.5 -0.854 19.5-136.9-119.0 161.8 4.0 36.3 45.1 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.6 -2,-0.3 2,-0.6 -0.939 13.0-145.7-112.1 129.6 2.6 35.9 48.6 18 33 A L E -JK 25 48C 0 7,-2.4 6,-2.2 -2,-0.5 7,-1.1 -0.882 26.4-174.3 -96.6 127.4 4.7 34.2 51.2 19 34 A N E +JK 23 47C 19 28,-2.5 28,-2.7 -2,-0.6 4,-0.2 -0.966 31.8 172.2-129.1 135.4 2.4 32.3 53.5 20 37 A S S S- 0 0 38 2,-2.7 3,-0.1 -2,-0.4 26,-0.0 -0.519 95.5 -48.5-133.5 60.2 2.9 30.4 56.7 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.385 141.0 33.8 89.8 -8.9 -0.8 29.8 57.5 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.7 0, 0.0 2,-0.4 -0.919 100.6 -90.1-164.0 162.2 -1.3 33.5 56.9 23 40 A H E +J 19 0C 20 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.679 50.6 155.7 -81.1 130.2 0.2 36.1 54.5 24 41 A F E + 0 0 33 -6,-2.2 151,-0.3 -2,-0.4 2,-0.3 0.527 59.9 7.2-131.6 -14.4 3.3 37.8 56.1 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.4 151,-0.1 -1,-0.4 -0.948 60.6-130.3-157.5 169.9 5.5 39.0 53.2 26 43 A G E +J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.591 22.7 174.4-115.0-178.9 5.6 39.4 49.4 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.1 -2,-0.2 2,-0.4 -0.968 25.2-111.4-166.4-173.0 8.3 38.5 46.8 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.6 -0.989 18.9-128.5-137.0 143.6 8.9 38.4 43.0 29 46 A L E + L 0 35C 0 -15,-1.7 74,-1.6 -2,-0.4 6,-0.2 -0.799 28.0 171.8 -90.9 118.8 9.3 35.5 40.6 30 47 A I E - 0 0 18 4,-2.1 2,-0.3 -2,-0.6 5,-0.1 0.416 69.4 -3.5-109.7 -6.7 12.5 35.9 38.6 31 48 A N E > S- L 0 34C 45 3,-1.0 3,-1.6 70,-0.1 -1,-0.4 -0.885 93.0 -79.2-170.2 169.8 12.5 32.5 36.8 32 49 A D T 3 S+ 0 0 70 1,-0.3 62,-2.4 -2,-0.3 60,-0.1 0.464 126.4 27.5 -65.1 -0.2 10.3 29.4 37.0 33 50 A Q T 3 S+ 0 0 47 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.387 108.6 73.4-136.4 3.9 11.8 28.1 40.2 34 51 A W E < -LM 31 89C 10 -3,-1.6 -4,-2.1 55,-0.2 -3,-1.0 -0.970 46.1-173.4-134.9 138.5 13.2 31.1 42.1 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.913 13.7-149.2-117.6 141.3 11.7 33.9 44.1 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.2 -2,-0.3 51,-0.2 -0.952 31.6 147.4-111.9 140.6 13.6 36.9 45.6 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.3 -0.760 50.5 -63.5-150.0-165.8 12.3 38.5 48.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.2 -0.745 33.4-132.6 -95.1 144.2 13.7 40.2 51.9 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.820 107.5 67.4 -65.8 -23.8 16.0 38.3 54.4 40 57 A H G 3 S+ 0 0 81 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.677 89.0 64.5 -67.7 -16.2 13.8 39.7 57.1 41 58 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.319 75.7 137.8 -89.9 9.3 10.9 37.5 55.8 42 59 A Y < + 0 0 101 -3,-1.9 2,-0.3 2,-0.0 -3,-0.0 -0.270 18.9 158.2 -54.0 136.1 12.9 34.4 56.7 43 60 A K - 0 0 62 1,-0.0 3,-0.0 3,-0.0 -2,-0.0 -0.947 49.2-115.2-152.0 153.6 11.0 31.5 58.3 44 61 A S S S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.1 26,-0.1 0.785 103.1 26.9 -64.4 -30.1 11.9 27.8 58.4 45 62 A R S S+ 0 0 215 2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.997 71.7 175.2-132.8 135.4 9.0 26.7 56.2 46 63 A I - 0 0 5 -2,-0.4 21,-2.2 21,-0.3 2,-0.5 -1.000 21.1-151.9-140.2 135.0 7.2 28.9 53.6 47 64 A Q E -KN 19 66C 52 -28,-2.7 -28,-2.5 -2,-0.3 2,-0.4 -0.961 20.4-146.3-103.3 126.3 4.4 28.1 51.1 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.5 -0.815 10.4-157.9 -93.6 130.1 4.8 30.5 48.1 49 65AA R E -KN 17 64C 48 -32,-2.6 -32,-2.2 -2,-0.4 3,-0.3 -0.951 13.5-179.9-117.4 118.4 1.4 31.5 46.5 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.9 -2,-0.5 -34,-0.1 -0.673 57.6 36.7-112.7 163.7 1.4 32.6 42.9 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.724 83.3 152.7 69.5 24.0 -1.4 33.8 40.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.527 24.1 149.7 -93.2 148.0 -3.2 35.6 43.4 53 71 A H S S+ 0 0 18 1,-0.3 82,-1.3 4,-0.3 2,-0.8 0.345 80.9 37.9-128.9 -67.8 -5.4 38.6 43.4 54 72 A N B > S-P 134 0D 18 3,-0.2 3,-0.9 80,-0.2 -1,-0.3 -0.809 72.2-158.9 -86.8 113.9 -7.8 38.0 46.3 55 73 A I T 3 S+ 0 0 24 78,-3.1 -1,-0.2 -2,-0.8 79,-0.1 0.696 89.4 43.8 -67.9 -20.9 -5.6 36.5 49.0 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.471 106.2 57.8-106.2 2.9 -8.7 35.1 50.7 57 75 A V S < S- 0 0 79 -3,-0.9 2,-0.6 76,-0.2 -4,-0.3 -0.988 79.3-124.1-130.8 136.2 -10.9 33.6 47.9 58 76 A L + 0 0 135 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.723 32.4 175.7 -80.4 115.3 -9.7 30.9 45.4 59 77 A E - 0 0 61 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.519 51.2-100.3-100.7 -7.1 -10.3 32.6 42.0 60 78 A G S S+ 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.558 104.0 77.4 106.7 6.3 -8.9 29.9 39.8 61 79 A N + 0 0 38 -10,-0.3 -9,-0.1 -11,-0.1 -3,-0.0 0.392 62.3 122.7-125.5 0.6 -5.4 31.0 38.9 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.234 37.9-170.5 -63.3 146.0 -3.5 30.2 42.0 63 81 A Q E -N 50 0C 36 -13,-1.9 -13,-2.7 2,-0.1 2,-0.5 -0.983 8.3-162.9-132.4 116.6 -0.5 27.9 42.1 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.926 17.0 170.2-103.6 129.9 0.6 27.1 45.7 65 83 A V E -N 48 0C 23 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.2 -0.999 28.9-122.2-138.2 137.6 4.2 25.7 45.9 66 84 A N E -N 47 0C 90 -2,-0.3 25,-2.6 -19,-0.3 2,-0.4 -0.512 27.9-113.3 -80.5 152.9 6.5 24.9 48.9 67 85 A A E -O 90 0C 19 -21,-2.2 -21,-0.3 23,-0.2 23,-0.3 -0.743 27.2-174.8 -83.5 127.9 9.9 26.5 49.3 68 86 A A E S+ 0 0 59 21,-3.3 2,-0.4 -2,-0.4 22,-0.2 0.814 74.5 18.3 -91.4 -50.2 12.7 23.9 49.1 69 87 A K E -O 89 0C 106 20,-1.5 20,-2.8 154,-0.1 2,-0.5 -0.993 63.9-167.8-121.2 141.2 15.8 26.1 49.9 70 88 A I E -O 88 0C 30 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.989 13.9-172.7-126.6 113.9 15.4 29.5 51.6 71 89 A I E -O 87 0C 32 16,-3.0 16,-2.3 -2,-0.5 2,-0.1 -0.895 8.7-164.9-120.7 99.9 18.7 31.3 51.4 72 90 A K E -O 86 0C 87 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.501 42.2 -90.6 -73.7 153.0 19.3 34.7 53.2 73 91 A H > - 0 0 19 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.390 34.6-121.9 -59.6 134.9 22.3 36.7 52.1 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.841 110.1 43.9 -40.7 -43.5 25.4 35.8 54.1 75 93 A N T 3 S+ 0 0 108 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.055 75.8 138.4 -98.3 23.5 25.9 39.4 55.3 76 94 A F < - 0 0 39 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.568 35.3-163.6 -64.9 133.1 22.3 40.2 56.2 77 95 A D B >> -Q 82 0E 71 5,-2.0 4,-1.7 -2,-0.2 5,-1.0 -0.979 10.9-157.7-118.9 119.3 22.4 42.1 59.5 78 96 A H T 45S+ 0 0 120 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.758 87.1 62.5 -70.7 -21.8 19.0 42.3 61.3 79 97 A K T 45S+ 0 0 166 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.919 121.7 18.9 -74.0 -42.5 19.9 45.4 63.3 80 98 A T T 45S- 0 0 57 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.538 96.0-131.1 -97.9 -6.6 20.4 47.7 60.3 81 99 A L T ><5 + 0 0 20 -4,-1.7 3,-0.7 1,-0.2 2,-0.3 0.888 51.0 161.1 54.1 34.8 18.5 45.6 57.8 82 100 A N B 3 < +Q 77 0E 34 -5,-1.0 -5,-2.0 1,-0.3 -1,-0.2 -0.728 62.0 19.1 -84.2 138.7 21.5 46.0 55.6 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-1.8 -7,-0.2 -10,-0.3 0.878 79.8 177.1 64.0 45.7 21.6 43.4 52.8 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.526 32.2 113.6 -81.1 83.0 17.9 42.6 53.2 85 103 A I + 0 0 0 -2,-1.8 -12,-2.0 -47,-0.2 2,-0.3 -0.995 36.3 180.0-156.0 142.4 17.6 40.1 50.4 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.8 -2,-0.3 2,-0.4 -0.982 17.2-142.6-145.2 143.5 16.8 36.4 50.3 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.0 -2,-0.3 2,-0.4 -0.907 12.6-161.0-107.8 142.0 16.4 33.8 47.5 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.2 -2,-0.4 2,-0.5 -0.989 3.5-156.8-125.0 126.1 13.7 31.0 47.6 89 107 A K E -MO 34 69C 48 -20,-2.8 -21,-3.3 -2,-0.4 -20,-1.5 -0.925 20.8-133.6-100.8 131.4 14.0 27.9 45.5 90 108 A L E - 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