==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-09 3A8D . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 68 30.5 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1 0 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 . 2 1 3 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.7 -8.2 -7.4 14.2 2 20 A V B +A 171 0A 8 169,-3.1 169,-2.1 1,-0.2 123,-0.1 -0.852 360.0 4.2-101.9 131.9 -10.5 -8.1 17.3 3 21 A G S S+ 0 0 48 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.711 103.1 117.7 72.3 22.3 -12.2 -5.2 19.0 4 22 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.070 57.6-108.4-100.5-150.8 -11.0 -2.6 16.5 5 23 A Y E -B 137 0B 100 132,-2.5 132,-3.1 -3,-0.1 2,-0.5 -0.942 34.0 -87.6-145.2 159.1 -12.7 -0.3 14.0 6 24 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.630 37.9-148.5 -70.3 120.3 -13.2 0.2 10.3 7 25 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.882 34.8-112.2 -58.1 -44.0 -10.2 2.2 9.1 8 26 A G > - 0 0 28 127,-0.4 3,-1.9 -3,-0.1 4,-0.3 0.079 49.1 -58.5 105.2 131.6 -11.9 4.1 6.3 9 27 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.145 117.0 -12.4 -49.1 125.2 -10.9 3.5 2.6 10 28 A N T 3 S+ 0 0 29 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.641 91.5 125.3 58.1 21.8 -7.2 4.1 1.9 11 29 A T S < S+ 0 0 85 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.514 77.3 49.6 -82.0 -8.4 -6.5 5.8 5.2 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.659 73.6 169.6-123.5 71.5 -3.7 3.3 5.7 13 31 A P T 3 S+ 0 0 32 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.602 71.3 57.1 -69.6 -12.3 -2.1 3.7 2.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.518 81.9 108.6 -88.8 -10.8 1.0 1.6 3.2 15 33 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.538 49.3-175.2 -70.2 127.1 -1.1 -1.5 4.1 16 34 A V E -J 27 0C 2 11,-2.7 11,-1.2 -2,-0.3 2,-0.4 -0.843 20.2-138.1-117.6 161.2 -0.8 -4.3 1.6 17 35 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.965 14.0-143.2-109.9 133.3 -2.4 -7.7 1.2 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.0 -0.866 23.7-167.3 -93.6 127.1 -0.4 -10.7 0.3 19 37 A N E +JK 23 47C 18 28,-2.7 28,-2.5 -2,-0.5 4,-0.2 -0.950 29.2 168.5-123.8 131.6 -2.4 -12.9 -2.1 20 38 A S S S- 0 0 31 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.303 96.4 -48.0-129.8 47.5 -1.7 -16.5 -3.2 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.232 140.8 30.0 98.1 -10.3 -5.1 -17.2 -4.8 22 40 A Y S S- 0 0 134 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.938 103.1 -81.5-166.7 155.6 -6.6 -15.7 -1.5 23 41 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.554 53.1 156.1 -64.5 131.9 -5.6 -13.2 1.1 24 42 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.529 56.8 6.5-134.8 -13.8 -3.2 -14.8 3.6 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.984 61.1-121.8-162.1 158.9 -1.1 -12.1 5.2 26 44 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.484 27.0 179.7 -94.0 178.1 -0.6 -8.3 5.5 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.7 -2,-0.2 2,-0.4 -0.960 23.6-119.0-166.4 171.4 2.5 -6.3 4.7 28 46 A S E -JL 15 36C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.989 19.7-131.6-128.0 128.4 3.8 -2.7 4.7 29 47 A L E + L 0 35C 0 -15,-2.5 74,-2.5 -2,-0.4 6,-0.2 -0.679 26.5 174.5 -78.7 120.8 5.0 -0.8 1.7 30 48 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.595 67.7 -12.6-105.2 -15.9 8.4 0.9 2.6 31 49 A N E > S- L 0 34C 45 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.915 90.1 -75.0-162.5-175.7 9.2 2.3 -0.9 32 50 A S T 3 S+ 0 0 37 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.683 128.6 31.1 -62.6 -17.1 7.9 1.9 -4.4 33 51 A Q T 3 S+ 0 0 76 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.482 109.3 65.3-119.0 -6.3 9.6 -1.5 -4.8 34 52 A W E < -LM 31 89C 7 -3,-0.7 -4,-2.4 55,-0.2 -3,-1.1 -0.971 47.7-168.4-135.9 141.3 9.7 -3.2 -1.4 35 53 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.5 -0.966 14.8-145.2-123.6 137.0 7.3 -4.6 1.2 36 54 A V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.896 34.9 149.8 -99.0 129.3 8.1 -5.6 4.8 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.5 2,-0.3 -0.739 49.2 -71.1-139.3-169.6 6.2 -8.6 6.2 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.699 31.2-133.7 -88.7 141.1 6.6 -11.5 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.849 107.4 65.4 -58.6 -33.7 9.0 -14.3 7.7 40 58 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.625 93.3 63.4 -67.1 -7.8 6.2 -16.7 8.8 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.372 77.4 131.5 -89.0 -1.3 4.2 -15.4 5.9 42 60 A Y < + 0 0 125 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.299 20.6 136.5 -57.0 132.4 6.8 -16.7 3.4 43 61 A K - 0 0 56 -2,-0.0 3,-0.4 0, 0.0 2,-0.1 -0.934 51.2-102.2-158.9 164.8 5.5 -18.7 0.4 44 62 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.457 97.0 36.8 -79.6 160.2 6.3 -18.9 -3.3 45 63 A G S S+ 0 0 70 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.844 75.7 172.6 69.8 36.9 4.0 -17.2 -5.9 46 64 A I - 0 0 7 -3,-0.4 21,-2.7 -26,-0.1 2,-0.5 -0.618 19.0-162.2 -79.2 134.2 3.0 -14.1 -3.8 47 65 A Q E -KN 19 66C 52 -28,-2.5 -28,-2.7 -2,-0.3 2,-0.4 -0.983 14.4-141.9-109.3 127.6 1.0 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-3.0 17,-3.0 -2,-0.5 2,-0.6 -0.758 12.0-159.0 -88.9 129.4 1.2 -8.0 -3.6 49 67 A R E -KN 17 64C 51 -32,-2.8 -32,-2.2 -2,-0.4 3,-0.3 -0.955 12.8-176.5-115.9 115.6 -2.1 -6.0 -3.5 50 68 A L E + N 0 63C 2 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.711 60.4 29.0-108.3 156.7 -1.8 -2.3 -2.8 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.2 -38,-0.3 2,-0.2 0.687 83.8 155.6 68.8 20.7 -4.5 0.4 -2.4 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.543 21.1 152.7 -78.8 140.3 -7.0 -2.2 -1.1 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.417 80.0 33.0-117.9 -71.9 -10.0 -1.5 1.1 54 72 A N S > S- 0 0 24 80,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.732 74.3-160.3 -79.7 111.9 -12.5 -4.3 0.4 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.681 87.2 51.6 -71.9 -13.7 -10.3 -7.2 -0.4 56 74 A N T 3 S+ 0 0 143 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.441 106.1 58.0 -98.8 -1.1 -13.1 -9.1 -2.2 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.995 75.9-131.1-134.1 129.3 -14.1 -6.3 -4.6 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.721 31.7 174.2 -77.7 112.0 -12.1 -4.3 -7.2 59 77 A E - 0 0 102 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.495 51.3 -98.1-105.3 -10.6 -13.1 -0.7 -6.2 60 78 A G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.164 105.3 76.6 121.5 -17.5 -10.8 1.1 -8.6 61 79 A N + 0 0 58 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.344 67.7 118.2-106.6 6.9 -7.7 2.2 -6.6 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.346 42.5-165.4 -79.6 152.7 -5.9 -1.2 -6.5 63 81 A Q E -N 50 0C 37 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.982 7.1-163.5-130.4 121.6 -2.5 -2.1 -7.9 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 16.3 172.9-106.3 120.3 -1.8 -5.8 -8.1 65 83 A I E -N 48 0C 13 -17,-3.0 -17,-3.0 -2,-0.6 2,-0.1 -0.988 27.8-127.0-133.7 125.0 1.9 -6.5 -8.5 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.360 28.7-112.8 -66.8 145.4 3.7 -9.9 -8.5 67 85 A A E -O 90 0C 14 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.599 23.2-168.6 -73.3 136.4 6.6 -10.5 -6.1 68 86 A S E S+ 0 0 54 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.745 72.2 2.8 -94.7 -30.3 9.9 -11.0 -8.0 69 87 A K E -O 89 0C 79 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.989 57.0-154.2-153.3 153.6 11.8 -12.1 -4.9 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.984 9.3-165.0-128.8 138.3 11.3 -12.8 -1.2 71 89 A I E -O 87 0C 35 16,-2.9 16,-2.5 -2,-0.4 2,-0.3 -0.927 5.2-159.3-132.3 106.4 14.1 -12.5 1.4 72 90 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.609 40.5 -90.1 -82.2 141.8 13.5 -14.1 4.7 73 91 A H > - 0 0 24 12,-2.3 3,-2.0 10,-0.3 -1,-0.1 -0.279 34.9-125.5 -52.9 135.7 15.7 -12.8 7.6 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.709 109.1 41.5 -60.1 -21.5 19.0 -14.9 7.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.203 79.7 140.9-110.4 14.8 18.4 -15.7 11.4 76 94 A Y < - 0 0 54 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.375 34.5-162.2 -57.1 128.6 14.6 -16.3 11.3 77 95 A N > - 0 0 64 5,-2.3 4,-2.2 1,-0.1 5,-0.5 -0.957 7.7-163.3-117.0 111.1 13.7 -19.2 13.6 78 96 A S T 4 S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.653 87.5 55.7 -71.1 -16.0 10.2 -20.6 12.7 79 97 A N T 4 S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.919 123.7 20.9 -78.4 -47.7 10.0 -22.4 16.1 80 98 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.566 97.4-130.7 -95.8 -13.5 10.6 -19.4 18.4 81 99 A L >< + 0 0 32 -4,-2.2 3,-0.9 1,-0.2 2,-0.2 0.616 49.1 160.7 62.2 18.2 9.6 -16.8 15.8 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.2 -0.485 67.9 14.5 -63.7 135.1 12.8 -14.9 16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.902 79.8 178.9 63.8 43.8 13.6 -12.5 13.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.496 35.8 114.0 -78.8 76.5 10.1 -12.8 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.996 36.6 176.8-149.7 144.8 10.7 -10.4 9.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.984 20.1-138.8-148.7 147.1 10.9 -10.8 5.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.5 -0.916 14.2-162.8-108.0 140.4 11.4 -8.4 2.5 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.990 7.0-150.7-126.0 125.2 9.4 -8.8 -0.6 89 107 A K E -MO 34 69C 35 -20,-2.7 -21,-3.1 -2,-0.5 -20,-1.1 -0.848 15.6-130.3 -98.7 133.9 10.4 -7.1 -3.9 90 108 A L E - 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