==== 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 10-MAY-11 3RXS . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,Y.ZHOU,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9302.0 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 . 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 . 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 . 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 . 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 0.000 360.0 360.0 360.0 120.5 -8.1 -8.4 14.4 2 20 A V B +A 171 0A 10 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.867 360.0 5.6 -99.6 132.1 -10.3 -9.2 17.4 3 21 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.697 102.8 122.5 73.6 21.5 -12.0 -6.4 19.3 4 22 A G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 0.021 56.5-110.3 -95.9-158.7 -10.8 -3.7 16.8 5 23 A Y E -B 137 0B 96 132,-2.5 132,-3.1 -3,-0.1 2,-0.4 -0.938 34.6 -91.2-135.0 158.0 -12.5 -1.2 14.5 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.597 36.5-150.4 -67.9 119.6 -13.0 -0.7 10.8 7 25 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.915 34.7-113.8 -59.6 -45.3 -9.9 1.4 9.8 8 26 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.2 -0.017 47.5 -56.8 106.8 139.1 -11.6 3.2 6.9 9 27 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.228 117.7 -11.2 -57.8 124.5 -10.6 2.7 3.2 10 28 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.669 91.1 126.9 62.4 24.2 -6.9 3.5 2.5 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.536 74.3 50.0 -84.3 -8.6 -6.3 5.0 5.9 12 30 A V S > S+ 0 0 8 -4,-0.2 3,-1.8 87,-0.1 -1,-0.2 -0.715 73.2 175.3-126.4 75.8 -3.4 2.6 6.4 13 31 A P T 3 S+ 0 0 29 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.603 72.8 55.2 -70.9 -12.8 -1.5 3.2 3.1 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.516 82.7 108.0 -91.5 -10.8 1.5 1.0 3.9 15 33 A Q E < -J 28 0C 5 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.558 49.8-174.9 -71.7 128.3 -0.6 -2.1 4.7 16 34 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.854 21.1-137.1-120.8 157.3 -0.5 -4.8 2.0 17 35 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.961 14.9-143.7-108.1 130.5 -2.2 -8.1 1.4 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.5 7,-1.0 -0.864 24.3-168.6 -93.7 124.9 -0.1 -11.0 0.3 19 37 A N E +JK 23 47C 20 28,-2.9 28,-2.6 -2,-0.6 4,-0.2 -0.963 30.7 166.6-125.7 127.5 -2.2 -13.1 -2.2 20 38 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.287 97.7 -46.4-125.3 45.2 -1.5 -16.6 -3.6 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.137 140.9 28.3 104.2 -12.9 -5.1 -17.0 -5.0 22 40 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.942 102.4 -82.1-168.4 151.6 -6.4 -15.8 -1.7 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.556 51.4 158.5 -61.7 127.3 -5.2 -13.4 1.1 24 42 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.514 58.1 5.7-126.4 -13.0 -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 -0.986 61.5-120.7-164.9 157.2 -0.8 -12.7 5.2 26 44 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.468 28.4 177.4 -93.3 174.2 -0.3 -9.0 5.8 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.955 24.4-117.9-165.0 172.6 2.9 -7.0 5.1 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.989 19.1-131.4-127.6 128.5 4.2 -3.4 5.2 29 47 A L E + L 0 35C 1 -15,-2.6 74,-2.6 -2,-0.4 6,-0.2 -0.662 28.0 172.2 -75.8 121.7 5.4 -1.4 2.3 30 48 A I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.5 75,-0.2 0.558 67.6 -7.5-113.3 -15.5 8.8 0.1 3.2 31 49 A N E > S- L 0 34C 50 3,-1.2 3,-0.8 73,-0.1 -1,-0.3 -0.926 90.7 -76.9-157.3-174.6 9.7 1.6 -0.2 32 50 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.701 127.8 25.6 -60.4 -19.8 8.4 1.5 -3.7 33 51 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.389 110.0 71.6-127.2 5.8 9.8 -2.0 -4.4 34 52 A W E < -LM 31 89C 8 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.981 48.5-169.2-133.6 140.7 10.1 -3.8 -1.0 35 53 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.5 -0.939 13.7-145.3-122.1 140.5 7.7 -5.2 1.5 36 54 A V E +LM 28 87C 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.2 -0.927 34.1 148.4-103.5 131.3 8.4 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.9 49,-2.2 -2,-0.5 2,-0.3 -0.726 49.2 -69.3-141.5-169.8 6.4 -9.4 6.3 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.708 32.1-132.0 -88.9 144.2 6.9 -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 0.844 108.4 63.8 -60.6 -33.2 9.2 -15.3 7.7 40 58 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.595 92.7 64.9 -71.4 -6.8 6.4 -17.7 8.6 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.376 77.0 131.6 -86.3 0.6 4.4 -16.1 5.7 42 60 A Y < + 0 0 137 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.312 21.8 130.0 -59.9 133.4 7.0 -17.5 3.3 43 61 A K - 0 0 56 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.940 53.0 -98.8-164.6 169.2 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 -0.449 94.7 40.1 -85.9 164.0 6.1 -19.2 -3.6 45 63 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.846 73.8 170.9 70.6 40.3 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 -0.686 18.7-167.7 -87.6 129.3 3.1 -14.3 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.979 17.5-140.0-108.5 129.1 1.3 -11.4 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.762 13.2-159.5 -88.4 130.0 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 51 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.947 12.6-177.8-116.1 112.1 -1.8 -6.2 -3.3 50 68 A L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.656 60.9 32.2-103.5 160.5 -1.4 -2.5 -2.4 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.702 84.4 155.6 68.7 21.8 -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 -0.550 21.8 150.3 -83.4 141.2 -6.6 -2.5 -0.6 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.8 4,-0.3 -1,-0.1 0.316 81.4 30.3-118.5 -82.0 -9.6 -2.0 1.6 54 72 A N S > S- 0 0 31 80,-0.2 3,-1.3 1,-0.2 -1,-0.3 -0.664 73.5-161.3 -75.1 109.9 -12.2 -4.7 0.7 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.591 86.9 54.5 -72.4 -7.6 -9.9 -7.5 -0.4 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.476 105.5 56.7 -99.6 -3.7 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 74 -3,-1.3 2,-0.9 76,-0.1 -4,-0.3 -0.987 77.9-128.5-132.3 134.8 -13.8 -6.2 -4.4 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.760 33.5 173.3 -81.4 109.0 -11.8 -4.1 -6.9 59 77 A E - 0 0 96 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.531 50.3 -99.7-102.8 -11.3 -12.6 -0.6 -5.5 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.251 104.3 75.4 119.4 -10.6 -10.3 1.5 -7.7 61 79 A N + 0 0 70 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.353 68.3 118.4-110.4 5.6 -7.1 2.3 -5.7 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.341 42.2-165.7 -76.1 151.4 -5.4 -1.1 -5.9 63 81 A Q E -N 50 0C 37 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.980 7.9-160.9-129.6 123.7 -2.0 -2.0 -7.4 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.935 18.4 169.0-105.5 118.1 -1.4 -5.7 -7.9 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.988 28.7-129.6-136.9 122.4 2.3 -6.5 -8.3 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.364 28.6-110.4 -69.0 147.5 3.9 -10.0 -8.3 67 85 A A E -O 90 0C 20 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.610 21.8-166.8 -75.2 136.2 6.9 -10.7 -6.1 68 86 A S E S- 0 0 59 21,-2.6 2,-0.3 1,-0.3 22,-0.2 0.731 73.2 -2.4 -89.7 -30.9 10.2 -11.2 -7.9 69 87 A K E -O 89 0C 83 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.986 56.2-149.5-159.2 152.7 12.0 -12.6 -4.9 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.961 9.1-163.5-122.7 141.5 11.6 -13.3 -1.2 71 89 A I E -O 87 0C 33 16,-3.1 16,-2.5 -2,-0.4 2,-0.3 -0.910 5.6-161.0-130.1 103.3 14.3 -13.2 1.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.604 40.7 -90.2 -78.5 142.4 13.7 -15.0 4.7 73 91 A H > - 0 0 24 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.253 33.2-127.5 -54.3 135.8 16.0 -13.9 7.6 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.779 107.9 44.8 -60.7 -25.3 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 0.235 79.3 137.7-102.8 11.9 18.6 -16.9 11.3 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.394 35.3-164.3 -60.3 128.3 14.8 -17.6 11.2 77 95 A N B >> -P 82 0D 65 5,-2.0 4,-2.1 -2,-0.1 5,-0.5 -0.975 7.9-160.9-115.8 114.0 13.9 -20.6 13.2 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.680 88.3 54.4 -70.2 -18.6 10.4 -21.9 12.4 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.947 123.5 23.0 -77.6 -51.1 10.1 -23.8 15.6 80 98 A T T 45S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.596 97.0-133.3 -88.9 -14.8 10.8 -21.0 18.1 81 99 A L T ><5 + 0 0 34 -4,-2.1 3,-0.8 1,-0.2 2,-0.2 0.646 48.0 159.5 61.6 20.9 9.8 -18.2 15.6 82 100 A N B 3 < +P 77 0D 39 -5,-0.5 -5,-2.0 1,-0.2 -1,-0.2 -0.526 66.6 16.4 -68.9 137.4 13.0 -16.3 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.899 79.8 179.0 63.0 45.4 13.9 -13.8 13.7 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.507 35.8 112.8 -81.6 76.5 10.4 -14.0 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.996 36.5 175.7-148.7 144.1 11.0 -11.5 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.9 -2,-0.3 2,-0.4 -0.991 20.4-137.4-150.8 148.1 11.2 -11.6 5.6 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.1 -2,-0.3 2,-0.4 -0.862 13.5-163.1-105.2 141.8 11.6 -9.2 2.7 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.995 7.7-151.1-126.6 122.2 9.6 -9.4 -0.5 89 107 A K E -MO 34 69C 43 -20,-2.8 -21,-2.6 -2,-0.4 -20,-1.1 -0.814 15.4-130.8 -94.8 135.8 10.8 -7.5 -3.6 90 108 A L E - 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