==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-JAN-11 3ATK . 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) . 9221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 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 . 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 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 . 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,-0.4 0.000 360.0 360.0 360.0 121.2 -8.1 -8.5 14.4 2 20 A V B +A 171 0A 10 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.859 360.0 5.9 -99.7 132.1 -10.3 -9.3 17.4 3 21 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.716 102.8 120.8 73.6 24.7 -11.9 -6.4 19.3 4 22 A G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.049 56.8-110.9-101.0-159.2 -10.8 -3.8 16.8 5 23 A Y E -B 137 0B 95 132,-2.5 132,-3.1 -3,-0.1 2,-0.5 -0.921 34.6 -90.4-135.9 159.7 -12.5 -1.2 14.6 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.631 36.4-151.3 -70.2 118.3 -12.9 -0.7 10.9 7 25 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.904 35.4-113.3 -58.4 -45.7 -9.9 1.4 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.2 -0.029 47.2 -56.8 107.8 139.4 -11.6 3.1 6.9 9 27 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.231 117.9 -10.8 -57.9 125.6 -10.6 2.7 3.3 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.662 91.3 126.3 62.0 24.4 -6.9 3.4 2.6 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.528 74.4 49.6 -84.8 -8.1 -6.3 5.0 6.0 12 30 A V S > S+ 0 0 7 -4,-0.2 3,-1.9 87,-0.1 -1,-0.2 -0.713 73.6 175.7-127.4 74.8 -3.3 2.6 6.5 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.582 72.7 55.5 -70.9 -11.5 -1.5 3.2 3.2 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.501 81.9 108.2 -92.6 -9.8 1.5 1.0 4.0 15 33 A Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.585 49.8-175.0 -72.9 125.6 -0.7 -2.1 4.7 16 34 A V E -J 27 0C 1 11,-2.3 11,-1.2 -2,-0.4 2,-0.5 -0.840 20.6-137.6-117.9 156.7 -0.4 -4.8 2.0 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.963 14.6-143.3-109.1 130.1 -2.2 -8.1 1.4 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.867 24.2-168.8 -92.8 126.0 -0.1 -11.0 0.3 19 37 A N E +JK 23 47C 20 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.968 30.4 167.3-127.0 128.3 -2.2 -13.1 -2.2 20 38 A S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.310 97.7 -45.7-126.0 46.1 -1.5 -16.6 -3.6 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.130 141.0 27.2 103.0 -13.8 -5.0 -17.0 -5.0 22 40 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.945 102.4 -81.0-168.5 154.1 -6.4 -15.8 -1.7 23 41 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.561 51.8 157.6 -64.9 128.7 -5.3 -13.4 1.1 24 42 A F E + 0 0 33 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.501 57.9 7.1-128.3 -11.9 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.985 61.1-121.1-165.1 156.6 -0.8 -12.7 5.2 26 44 A G E +J 17 0C 0 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.443 28.1 177.0 -91.5 173.5 -0.2 -9.0 5.8 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.957 24.6-118.7-163.9 173.8 2.9 -7.0 5.1 28 46 A S E -JL 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.1-131.8-128.4 128.1 4.2 -3.5 5.2 29 47 A L E + L 0 35C 1 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.665 28.0 172.1 -75.9 121.4 5.5 -1.4 2.3 30 48 A I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.5 75,-0.2 0.547 67.6 -6.2-112.2 -15.3 8.8 0.1 3.3 31 49 A N E > S- L 0 34C 46 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.935 91.3 -76.3-158.3-176.6 9.8 1.6 -0.1 32 50 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.705 127.9 23.1 -58.9 -21.6 8.4 1.6 -3.7 33 51 A Q T 3 S+ 0 0 74 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.383 110.3 74.1-129.1 9.8 9.7 -2.0 -4.3 34 52 A W E < -LM 31 89C 1 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.979 48.5-169.9-132.4 140.2 10.1 -3.8 -1.0 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.946 13.8-145.2-122.9 139.1 7.7 -5.2 1.6 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.915 34.3 148.2-101.4 132.8 8.4 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.750 49.3 -69.4-142.8-170.6 6.4 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.699 32.1-131.4 -88.1 144.1 6.8 -12.5 8.7 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.840 108.8 64.0 -59.9 -33.3 9.1 -15.4 7.8 40 58 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.592 92.4 65.1 -71.1 -6.3 6.3 -17.8 8.6 41 59 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.402 77.0 131.4 -86.1 -0.6 4.4 -16.1 5.7 42 60 A Y < + 0 0 136 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.290 21.5 128.3 -59.3 132.9 7.0 -17.5 3.3 43 61 A K - 0 0 56 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.935 53.3 -99.3-164.8 170.4 5.7 -19.3 0.2 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.473 94.1 41.5 -87.9 164.9 6.1 -19.2 -3.6 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.850 73.8 170.9 71.7 39.1 3.8 -17.5 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.684 19.0-167.5 -86.2 128.8 3.1 -14.3 -4.0 47 65 A Q E -KN 19 66C 49 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.978 17.7-139.9-107.4 128.0 1.3 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.5 2,-0.6 -0.754 13.3-158.8 -86.6 130.1 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.943 13.1-178.4-115.9 111.9 -1.8 -6.2 -3.2 50 68 A L E + N 0 63C 2 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.657 60.7 32.2-103.6 161.2 -1.4 -2.5 -2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.712 84.6 155.3 67.7 22.7 -4.1 0.1 -1.9 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.562 21.8 149.5 -85.4 142.2 -6.6 -2.5 -0.6 53 71 A D S S+ 0 0 14 1,-0.3 2,-0.8 4,-0.3 -1,-0.1 0.298 81.4 30.9-120.3 -81.3 -9.6 -2.0 1.7 54 72 A N S > S- 0 0 31 80,-0.2 3,-1.3 1,-0.2 -1,-0.3 -0.661 73.3-161.9 -75.1 110.3 -12.2 -4.7 0.8 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.579 86.5 54.6 -73.4 -7.5 -9.9 -7.5 -0.4 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.453 105.7 56.6 -99.6 -2.9 -12.9 -9.2 -2.2 57 75 A V S < S- 0 0 75 -3,-1.3 2,-0.8 76,-0.1 -4,-0.3 -0.991 77.9-128.4-133.1 134.7 -13.8 -6.2 -4.3 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.752 33.7 172.6 -80.3 110.1 -11.9 -4.0 -6.8 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.554 50.7 -99.8-103.2 -13.5 -12.6 -0.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.252 104.2 75.4 121.1 -10.7 -10.2 1.5 -7.6 61 79 A N + 0 0 68 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.354 68.2 118.7-110.7 6.0 -7.1 2.3 -5.6 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.353 42.0-166.2 -74.4 149.5 -5.4 -1.1 -5.8 63 81 A Q E -N 50 0C 37 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.6 -0.986 7.6-161.0-128.2 126.3 -2.1 -2.0 -7.3 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.947 18.1 168.7-107.6 119.0 -1.4 -5.7 -7.9 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-2.8 -2,-0.6 2,-0.1 -0.989 29.3-128.8-137.4 122.8 2.3 -6.5 -8.3 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.375 28.7-111.9 -68.5 145.8 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 19 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.597 20.9-165.4 -74.7 137.2 6.9 -10.6 -6.1 68 86 A S E S- 0 0 60 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.710 72.6 -4.7 -91.0 -28.7 10.2 -11.2 -7.9 69 87 A K E -O 89 0C 81 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.983 56.2-148.1-160.8 154.2 12.0 -12.6 -4.9 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.971 8.6-162.0-124.2 143.0 11.6 -13.3 -1.2 71 89 A I E -O 87 0C 32 16,-3.1 16,-2.6 -2,-0.4 2,-0.3 -0.920 6.1-160.6-128.1 103.4 14.4 -13.2 1.4 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.602 40.8 -90.3 -77.5 143.2 13.7 -15.0 4.7 73 91 A H > - 0 0 24 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.261 33.4-127.4 -55.0 135.8 16.0 -13.9 7.6 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.767 107.7 45.0 -60.0 -24.9 19.1 -16.1 7.6 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.225 79.1 138.2-104.1 12.4 18.6 -17.0 11.3 76 94 A Y < - 0 0 53 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.407 35.2-163.9 -60.8 127.8 14.8 -17.6 11.2 77 95 A N > - 0 0 65 5,-2.0 4,-2.2 -2,-0.1 5,-0.5 -0.975 7.7-161.2-114.5 113.6 13.9 -20.7 13.3 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.679 88.1 54.5 -70.7 -17.7 10.4 -21.9 12.4 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.939 123.6 22.5 -78.9 -49.9 10.1 -23.9 15.6 80 98 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.607 97.3-132.9 -89.2 -15.8 10.8 -21.0 18.1 81 99 A L >< + 0 0 33 -4,-2.2 3,-0.8 1,-0.2 2,-0.2 0.634 47.7 160.3 63.4 21.0 9.8 -18.3 15.6 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.2 -0.517 66.5 16.5 -69.2 137.3 13.0 -16.4 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.898 79.4 179.6 63.6 45.2 13.9 -13.9 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.500 35.4 114.6 -80.6 76.5 10.4 -14.1 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.997 36.5 177.7-148.9 144.3 11.0 -11.6 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.994 18.9-140.3-148.5 143.0 11.1 -11.7 5.6 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -0.868 13.8-164.1-104.0 141.9 11.6 -9.2 2.8 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.994 7.2-151.1-127.1 123.9 9.7 -9.4 -0.4 89 107 A K E -MO 34 69C 42 -20,-2.8 -21,-2.7 -2,-0.4 -20,-1.1 -0.820 14.9-131.7 -96.9 135.7 10.7 -7.5 -3.6 90 108 A L E - 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