==== 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 3A86 . 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) . 9178.0 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 . 69 30.9 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 . 4 1.8 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 . 3 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.7 -8.3 -7.4 14.2 2 20 A V B +A 171 0A 8 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.862 360.0 3.5-101.9 130.9 -10.5 -8.1 17.2 3 21 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.696 103.3 117.8 73.0 20.8 -12.3 -5.1 18.9 4 22 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.046 57.5-108.3 -99.4-153.4 -11.1 -2.5 16.4 5 23 A Y E -B 137 0B 98 132,-2.6 132,-3.1 -3,-0.1 2,-0.5 -0.932 33.8 -87.8-141.3 159.0 -12.8 -0.2 13.9 6 24 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.616 38.1-148.9 -67.9 121.6 -13.3 0.2 10.2 7 25 A a - 0 0 16 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.893 34.5-111.6 -60.3 -45.0 -10.3 2.2 9.1 8 26 A G > - 0 0 27 127,-0.4 3,-2.1 -3,-0.1 4,-0.3 0.102 48.5 -59.8 106.5 130.0 -11.9 4.1 6.2 9 27 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.136 116.9 -11.9 -48.4 124.6 -11.0 3.5 2.5 10 28 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.624 91.8 124.9 58.1 21.8 -7.3 4.1 1.8 11 29 A T S < S+ 0 0 85 -3,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.548 77.4 49.3 -79.9 -10.3 -6.6 5.9 5.1 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.664 73.8 170.3-123.3 72.3 -3.8 3.3 5.7 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.611 71.3 56.9 -69.6 -12.8 -2.1 3.7 2.3 14 32 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.508 81.7 109.6 -89.5 -9.8 1.0 1.7 3.2 15 33 A Q E < -J 28 0C 4 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.540 49.1-174.2 -71.4 127.6 -1.1 -1.4 4.1 16 34 A V E -J 27 0C 1 11,-2.7 11,-1.2 -2,-0.3 2,-0.4 -0.853 19.9-139.5-117.8 158.2 -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 -0.964 14.6-143.5-109.3 131.7 -2.5 -7.6 1.2 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.0 -0.870 23.2-167.1 -93.3 126.7 -0.4 -10.7 0.2 19 37 A N E +JK 23 47C 20 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.958 29.6 167.6-124.2 129.8 -2.4 -12.9 -2.1 20 38 A S S S- 0 0 31 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.298 96.8 -47.4-128.7 46.8 -1.6 -16.5 -3.2 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.224 140.8 28.9 100.6 -8.6 -5.1 -17.2 -4.7 22 40 A Y S S- 0 0 132 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.934 102.9 -81.5-169.4 154.7 -6.6 -15.7 -1.5 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.549 52.5 157.3 -64.7 130.7 -5.5 -13.1 1.1 24 42 A F E + 0 0 32 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.552 57.3 4.5-131.7 -15.5 -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 -0.985 61.0-121.4-161.2 161.5 -1.1 -12.0 5.2 26 44 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.444 27.0 179.1 -96.0 178.5 -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 -0.956 24.3-116.9-167.5 173.2 2.5 -6.2 4.8 28 46 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.990 19.9-131.5-128.5 128.4 3.8 -2.7 4.7 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.676 26.3 175.0 -78.7 119.8 5.0 -0.7 1.7 30 48 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.602 67.4 -13.7-103.8 -14.8 8.4 0.9 2.6 31 49 A N E > S- L 0 34C 44 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.914 90.4 -73.8-166.1-177.7 9.2 2.4 -0.9 32 50 A S T 3 S+ 0 0 36 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.671 128.8 30.8 -62.0 -16.6 7.9 1.9 -4.5 33 51 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.460 109.2 66.7-120.5 -5.6 9.6 -1.5 -4.8 34 52 A W E < -LM 31 89C 6 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.1 -0.971 47.3-168.7-135.3 141.2 9.6 -3.1 -1.4 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.5 -0.968 14.8-145.6-123.1 136.6 7.3 -4.6 1.2 36 54 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.896 34.7 150.3 -98.0 128.9 8.1 -5.6 4.8 37 55 A S E - M 0 86C 0 49,-2.9 49,-2.2 -2,-0.5 2,-0.3 -0.724 49.1 -72.5-137.3-167.9 6.1 -8.6 6.1 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.715 31.4-133.0 -91.0 140.8 6.6 -11.4 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.848 107.6 65.4 -58.1 -34.3 8.9 -14.3 7.7 40 58 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.615 93.2 63.5 -67.0 -6.8 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 0.361 77.3 131.5 -90.3 -1.3 4.2 -15.3 5.9 42 60 A Y < + 0 0 126 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.301 21.0 137.5 -56.0 131.1 6.7 -16.7 3.4 43 61 A K - 0 0 54 -2,-0.0 3,-0.4 0, 0.0 2,-0.1 -0.936 50.9-101.5-157.9 165.7 5.4 -18.7 0.5 44 62 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.467 96.5 35.2 -80.5 159.4 6.2 -18.9 -3.3 45 63 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.858 75.5 174.1 69.1 40.0 3.9 -17.1 -5.9 46 64 A I - 0 0 7 -3,-0.4 21,-2.8 -26,-0.1 2,-0.5 -0.631 18.4-162.4 -80.9 133.1 3.0 -14.0 -3.9 47 65 A Q E -KN 19 66C 51 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.4 -0.983 14.5-142.3-107.9 127.5 1.0 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.9 -2,-0.5 2,-0.5 -0.755 11.9-158.7 -88.7 129.8 1.2 -7.9 -3.6 49 67 A R E -KN 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.4 3,-0.3 -0.957 12.6-176.7-116.3 117.3 -2.1 -6.0 -3.6 50 68 A L E + N 0 63C 2 13,-3.1 13,-2.0 -2,-0.5 -34,-0.1 -0.707 60.5 30.6-108.0 157.5 -1.9 -2.2 -2.9 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.675 83.7 156.9 71.0 19.2 -4.6 0.4 -2.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.521 21.4 151.5 -80.0 139.5 -7.1 -2.1 -1.1 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.424 80.4 31.7-117.3 -74.3 -10.0 -1.5 1.1 54 72 A N S > S- 0 0 24 80,-0.2 3,-1.3 3,-0.2 -1,-0.4 -0.742 74.3-160.2 -79.5 112.8 -12.6 -4.2 0.4 55 73 A I T 3 S+ 0 0 27 78,-2.3 -1,-0.2 -2,-0.8 79,-0.1 0.692 87.2 52.1 -73.2 -13.7 -10.3 -7.2 -0.4 56 74 A N T 3 S+ 0 0 142 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.427 105.9 57.9 -98.5 -0.4 -13.1 -9.1 -2.2 57 75 A V S < S- 0 0 73 -3,-1.3 2,-0.8 76,-0.1 -4,-0.3 -0.997 76.1-131.4-134.3 128.6 -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 -0.723 31.5 174.3 -76.3 111.2 -12.1 -4.4 -7.2 59 77 A E - 0 0 102 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.495 50.9 -98.7-104.2 -10.9 -13.1 -0.8 -6.3 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.215 105.0 76.7 119.8 -13.9 -10.8 1.1 -8.7 61 79 A N + 0 0 61 -10,-0.3 -9,-0.1 38,-0.0 38,-0.1 0.355 68.0 118.6-107.6 4.9 -7.7 2.2 -6.7 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.306 43.1-164.5 -76.1 153.2 -5.9 -1.1 -6.5 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.1 -2,-0.0 2,-0.6 -0.978 6.9-163.2-130.7 122.2 -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 -0.944 16.3 172.7-107.3 119.2 -1.8 -5.8 -8.1 65 83 A I E -N 48 0C 13 -17,-2.9 -17,-2.9 -2,-0.6 -2,-0.0 -0.988 27.6-128.6-133.6 123.8 1.9 -6.5 -8.6 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.338 28.6-112.4 -66.7 147.6 3.6 -9.9 -8.5 67 85 A A E -O 90 0C 15 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.640 21.5-166.5 -78.1 137.3 6.6 -10.4 -6.2 68 86 A S E S- 0 0 56 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.750 72.9 -2.2 -93.5 -29.0 9.9 -11.0 -8.0 69 87 A K E -O 89 0C 83 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.987 56.3-150.4-157.5 158.3 11.7 -12.2 -4.9 70 88 A S E -O 88 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.981 9.9-162.9-130.8 136.9 11.3 -12.8 -1.2 71 89 A I E -O 87 0C 36 16,-3.1 16,-2.6 -2,-0.4 2,-0.3 -0.939 5.6-158.6-129.3 108.1 14.0 -12.5 1.4 72 90 A V E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.613 40.4 -90.3 -81.7 142.3 13.5 -14.1 4.8 73 91 A H > - 0 0 23 12,-2.3 3,-2.1 10,-0.3 -1,-0.1 -0.279 34.8-125.5 -54.8 135.8 15.7 -12.8 7.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.715 109.4 41.4 -59.9 -20.6 18.9 -14.9 7.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.211 79.7 140.7-111.3 13.8 18.3 -15.6 11.4 76 94 A Y < - 0 0 53 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.377 34.3-162.6 -56.7 128.1 14.6 -16.2 11.3 77 95 A N > - 0 0 63 5,-2.3 4,-2.1 1,-0.1 5,-0.5 -0.966 7.9-163.5-116.9 112.3 13.7 -19.1 13.6 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.646 87.3 56.2 -73.3 -14.8 10.2 -20.5 12.8 79 97 A N T 4 S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.916 123.8 20.6 -78.8 -46.8 10.0 -22.3 16.1 80 98 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.561 97.2-130.7 -96.9 -13.3 10.5 -19.3 18.4 81 99 A L >< + 0 0 31 -4,-2.1 3,-0.9 1,-0.2 -3,-0.2 0.617 49.0 161.0 61.8 18.0 9.6 -16.7 15.8 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.2 -0.480 67.7 14.1 -63.1 135.2 12.7 -14.8 16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.893 79.8 179.4 63.0 43.5 13.6 -12.4 13.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.486 35.6 114.6 -77.5 75.9 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 36.2 176.9-149.4 145.0 10.7 -10.4 9.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.9 -2,-0.3 2,-0.4 -0.986 20.1-138.8-148.6 147.2 10.9 -10.7 5.5 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.5 -0.915 14.1-162.3-108.7 139.6 11.3 -8.4 2.5 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.989 7.3-150.2-124.8 124.9 9.3 -8.8 -0.6 89 107 A K E -MO 34 69C 35 -20,-2.7 -21,-3.0 -2,-0.5 -20,-1.1 -0.845 15.3-130.1 -98.9 133.6 10.4 -7.1 -3.9 90 108 A L E - 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