==== 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 3RXV . 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) . 9286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 71 31.8 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 . 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 . 4 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 -8.0 -8.5 14.5 2 20 A V B +A 171 0A 10 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.882 360.0 6.0-101.9 130.5 -10.3 -9.3 17.5 3 21 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.734 103.3 120.8 74.4 25.1 -11.9 -6.4 19.3 4 22 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.037 56.6-110.6-101.0-157.4 -10.8 -3.8 16.9 5 23 A Y E -B 137 0B 95 132,-2.5 132,-3.1 -3,-0.1 2,-0.5 -0.933 34.1 -90.4-138.5 159.6 -12.4 -1.3 14.6 6 24 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.630 36.8-151.6 -71.1 117.2 -12.9 -0.8 10.8 7 25 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.892 35.2-112.9 -58.4 -44.5 -9.8 1.3 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.029 47.3 -57.5 107.3 139.6 -11.5 3.1 6.9 9 27 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.252 117.8 -10.9 -58.8 125.3 -10.5 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 0.676 91.6 125.9 61.6 24.4 -6.8 3.4 2.6 11 29 A T S < S+ 0 0 85 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.533 74.7 49.7 -84.3 -9.6 -6.1 5.0 6.0 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.718 74.5 175.3-125.0 75.0 -3.2 2.6 6.6 13 31 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.590 72.3 56.0 -70.2 -13.0 -1.4 3.1 3.3 14 32 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.483 82.2 108.8 -90.9 -8.4 1.6 0.9 4.0 15 33 A Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.586 49.2-174.7 -74.5 126.1 -0.6 -2.1 4.7 16 34 A V E -J 27 0C 1 11,-2.3 11,-1.1 -2,-0.4 2,-0.5 -0.839 20.6-138.1-117.3 156.4 -0.3 -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 -0.966 14.8-143.4-107.6 129.6 -2.2 -8.1 1.5 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.856 24.7-169.3 -91.3 125.4 -0.1 -11.1 0.3 19 37 A N E +JK 23 47C 21 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.969 30.6 166.9-126.2 128.0 -2.1 -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 -0.334 97.7 -45.2-125.9 48.1 -1.5 -16.5 -3.6 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.126 140.8 26.2 103.1 -14.0 -5.0 -17.0 -5.1 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.944 102.2 -80.3-168.8 155.0 -6.4 -15.7 -1.7 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.538 51.7 157.3 -65.0 130.4 -5.2 -13.4 1.1 24 42 A F E + 0 0 34 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.510 58.4 6.0-130.3 -13.1 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.985 61.5-121.3-163.3 158.1 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.447 27.9 178.3 -92.5 175.7 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.956 24.2-117.9-165.1 173.0 2.9 -7.0 5.1 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.0-132.5-128.2 127.4 4.3 -3.5 5.3 29 47 A L E + L 0 35C 1 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.659 27.7 172.1 -75.4 122.3 5.6 -1.4 2.4 30 48 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.557 67.2 -7.1-112.6 -15.8 8.9 0.1 3.4 31 49 A N E > S- L 0 34C 45 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.939 91.1 -75.2-158.9-175.6 9.9 1.6 -0.0 32 50 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.5 1,-0.2 60,-0.1 0.711 127.9 22.7 -58.8 -21.7 8.6 1.5 -3.6 33 51 A Q T 3 S+ 0 0 76 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.369 110.3 74.2-129.4 9.8 9.8 -2.0 -4.3 34 52 A W E < -LM 31 89C 1 -3,-0.8 -4,-2.2 55,-0.2 -3,-1.3 -0.981 48.1-170.4-133.1 139.2 10.2 -3.8 -0.9 35 53 A V E -LM 29 88C 0 53,-2.8 53,-2.8 -2,-0.4 2,-0.5 -0.950 13.7-145.6-121.7 139.6 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.919 33.6 149.3-102.5 131.3 8.5 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.5 2,-0.3 -0.733 49.4 -69.6-140.2-169.8 6.5 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.697 33.0-131.2 -88.0 144.6 6.9 -12.5 8.7 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.827 108.5 64.1 -62.1 -31.4 9.2 -15.4 7.8 40 58 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.593 92.7 64.7 -72.1 -7.3 6.4 -17.8 8.6 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.401 77.2 130.8 -86.0 -0.6 4.4 -16.2 5.7 42 60 A Y < + 0 0 139 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.294 22.0 130.2 -59.2 133.1 7.0 -17.5 3.3 43 61 A K - 0 0 58 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.938 52.8 -99.4-164.1 169.5 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 -0.468 94.7 40.8 -86.4 164.4 6.2 -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 0.852 74.1 171.3 71.2 39.1 3.9 -17.5 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.679 19.2-167.2 -86.2 129.2 3.2 -14.3 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.7 -28,-2.9 -2,-0.4 2,-0.5 -0.977 17.3-140.8-107.4 127.9 1.3 -11.4 -5.5 48 66 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.779 12.9-159.0 -88.4 128.5 1.6 -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 -0.941 13.4-178.5-114.8 111.4 -1.7 -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 -0.659 60.3 33.1-104.6 161.3 -1.4 -2.6 -2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.717 84.7 156.3 68.1 22.8 -4.0 0.1 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.581 22.3 149.0 -85.2 139.8 -6.5 -2.5 -0.5 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 -2,-0.3 -1,-0.1 0.333 81.3 30.5-117.6 -81.8 -9.5 -2.0 1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.649 72.9-161.7 -75.1 112.1 -12.1 -4.6 0.7 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.592 86.6 53.5 -75.0 -7.4 -9.9 -7.5 -0.4 56 74 A N T 3 S+ 0 0 127 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.476 105.7 56.5-100.4 -5.1 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.8 76,-0.1 -4,-0.3 -0.988 78.3-127.4-132.4 134.3 -13.8 -6.2 -4.4 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.734 34.0 172.0 -80.3 110.4 -11.8 -4.0 -6.8 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.559 50.8 -99.9-104.1 -13.6 -12.5 -0.5 -5.5 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.277 103.6 75.7 120.7 -9.1 -10.1 1.5 -7.6 61 79 A N + 0 0 68 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.333 67.4 118.7-112.8 6.9 -7.0 2.3 -5.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.360 42.0-165.9 -74.2 150.2 -5.3 -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 -0.985 8.1-160.9-128.8 125.8 -1.9 -2.0 -7.3 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 18.0 169.3-108.2 116.8 -1.3 -5.7 -7.9 65 83 A I E -N 48 0C 12 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.990 28.7-129.9-135.8 123.1 2.4 -6.6 -8.3 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.380 29.4-110.6 -67.8 146.4 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 21 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.591 21.5-166.2 -75.0 137.4 7.0 -10.7 -6.1 68 86 A S E S- 0 0 59 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.707 73.3 -4.7 -91.8 -28.4 10.3 -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 -0.980 55.9-149.1-160.8 153.7 12.1 -12.6 -4.8 70 88 A S E -O 88 0C 39 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.969 8.8-162.4-123.3 143.6 11.6 -13.3 -1.2 71 89 A I E -O 87 0C 35 16,-3.0 16,-2.7 -2,-0.4 2,-0.3 -0.927 6.0-160.4-129.5 103.1 14.4 -13.3 1.4 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.605 41.0 -90.1 -77.1 142.1 13.8 -15.0 4.7 73 91 A H > - 0 0 24 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.268 33.5-126.4 -54.3 136.0 16.0 -14.0 7.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.763 108.3 44.3 -58.3 -25.1 19.1 -16.2 7.6 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.229 78.8 138.1-106.9 11.3 18.6 -17.1 11.3 76 94 A Y < - 0 0 53 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.395 34.9-163.9 -59.2 127.8 14.8 -17.7 11.2 77 95 A N B >> -P 82 0D 65 5,-2.1 4,-2.2 -2,-0.1 5,-0.5 -0.973 7.2-161.6-115.4 113.2 13.8 -20.7 13.2 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.696 87.9 55.1 -70.9 -19.3 10.3 -22.0 12.3 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.932 123.7 22.3 -76.0 -48.8 10.0 -24.0 15.6 80 98 A T T 45S- 0 0 75 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.595 97.0-132.8 -91.6 -14.8 10.7 -21.1 18.0 81 99 A L T ><5 + 0 0 33 -4,-2.2 3,-0.8 1,-0.2 2,-0.2 0.649 48.1 159.9 61.5 21.9 9.8 -18.3 15.5 82 100 A N B 3 < +P 77 0D 38 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.2 -0.536 67.2 16.3 -69.8 137.3 13.0 -16.5 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.903 80.3 179.3 62.6 45.3 13.9 -14.0 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.496 36.1 112.3 -80.7 75.9 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 36.9 175.8-149.4 142.5 11.0 -11.6 9.5 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.991 20.5-136.7-146.9 151.7 11.3 -11.7 5.7 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.0 -2,-0.3 2,-0.4 -0.888 13.9-163.4-109.2 140.9 11.7 -9.3 2.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.8 -2,-0.4 2,-0.4 -0.993 7.0-151.8-125.5 125.0 9.7 -9.4 -0.4 89 107 A K E -MO 34 69C 43 -20,-2.8 -21,-2.6 -2,-0.4 -20,-1.1 -0.831 15.5-131.1 -97.6 135.5 10.8 -7.5 -3.5 90 108 A L E - 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