==== 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 3RXM . 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) . 9277.0 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 . 67 30.0 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 . 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 . 2 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,-0.4 0.000 360.0 360.0 360.0 123.8 -8.0 -8.5 14.5 2 20 A V B +A 171 0A 10 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.875 360.0 3.9-100.4 130.1 -10.3 -9.3 17.5 3 21 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.757 102.2 123.4 71.9 27.1 -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 -0.013 56.5-108.8 -98.0-157.8 -10.8 -3.7 16.9 5 23 A Y E -B 137 0B 96 132,-2.6 132,-3.1 -3,-0.1 2,-0.4 -0.955 34.3 -91.9-136.3 155.8 -12.4 -1.2 14.6 6 24 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.567 36.5-150.5 -65.6 120.3 -12.9 -0.7 10.9 7 25 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.905 34.6-113.4 -60.8 -44.5 -9.9 1.4 9.9 8 26 A G > - 0 0 26 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.044 47.5 -57.3 107.0 139.7 -11.6 3.2 7.0 9 27 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.273 117.9 -11.6 -57.5 124.7 -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 0.679 91.6 126.8 60.8 25.1 -6.9 3.4 2.6 11 29 A T S < S+ 0 0 83 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.544 74.1 50.1 -84.0 -10.4 -6.3 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 -0.743 74.1 176.3-124.6 76.7 -3.4 2.6 6.6 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.601 72.5 55.4 -72.2 -12.2 -1.5 3.2 3.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.473 81.7 109.7 -91.6 -8.1 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 -0.580 49.5-173.0 -74.0 126.0 -0.7 -2.1 4.8 16 34 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.4 2,-0.5 -0.833 19.6-139.9-115.7 156.0 -0.4 -4.8 2.1 17 35 A S E -JK 26 49C 0 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.974 14.6-144.5-109.7 129.1 -2.2 -8.0 1.5 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.851 23.6-168.1 -92.7 126.9 -0.1 -11.0 0.3 19 37 A N E +JK 23 47C 21 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.967 31.0 167.0-126.9 129.0 -2.2 -13.1 -2.1 20 38 A S S S- 0 0 31 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.293 97.9 -45.2-126.8 46.1 -1.6 -16.6 -3.5 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.186 140.6 25.1 104.3 -10.5 -5.1 -17.0 -5.0 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.932 103.2 -77.8-171.9 155.8 -6.5 -15.6 -1.7 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.557 52.0 157.9 -65.1 129.6 -5.3 -13.4 1.2 24 42 A F E + 0 0 33 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.520 58.6 5.3-128.0 -14.3 -2.9 -15.3 3.5 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.985 61.5-120.6-164.0 156.6 -0.8 -12.7 5.3 26 44 A G E +J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.423 29.0 177.0 -90.3 174.7 -0.3 -9.0 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.957 24.8-117.0-165.0 173.7 2.8 -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 -0.989 18.7-132.7-127.7 128.8 4.2 -3.5 5.2 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.682 27.4 172.8 -77.3 119.9 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 0.586 66.9 -8.4-109.8 -16.5 8.8 0.1 3.3 31 49 A N E > S- L 0 34C 51 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.930 90.4 -75.7-158.2-174.4 9.7 1.6 -0.1 32 50 A S T 3 S+ 0 0 45 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.722 128.4 25.0 -60.4 -20.7 8.5 1.5 -3.7 33 51 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.370 110.2 72.4-126.7 6.3 9.8 -2.0 -4.3 34 52 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.978 48.0-169.5-135.4 139.6 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,-0.4 -0.952 13.1-146.5-123.0 140.1 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.913 33.4 147.6-103.0 132.8 8.4 -6.5 5.1 37 55 A S E - M 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.3 -0.752 49.9 -68.6-143.8-169.1 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 -0.712 32.5-131.8 -89.8 143.1 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 0.837 108.4 64.8 -59.6 -32.4 9.1 -15.4 7.8 40 58 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.617 92.7 64.2 -69.8 -9.0 6.3 -17.8 8.7 41 59 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.395 76.6 130.4 -86.5 0.2 4.4 -16.2 5.7 42 60 A Y < + 0 0 138 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.313 22.2 130.6 -60.4 132.9 6.9 -17.5 3.3 43 61 A K - 0 0 55 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.927 53.2 -99.1-163.1 169.2 5.6 -19.3 0.2 44 62 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.452 94.6 40.9 -86.0 164.8 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 0.869 73.8 171.2 69.8 41.7 3.7 -17.5 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.703 19.0-167.2 -88.7 130.1 3.1 -14.3 -4.0 47 65 A Q E -KN 19 66C 51 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.5 -0.981 17.6-139.8-109.5 128.2 1.3 -11.4 -5.4 48 66 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.762 13.5-159.4 -87.8 128.8 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 49 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.948 13.0-178.7-115.0 113.0 -1.8 -6.2 -3.2 50 68 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.669 60.3 33.0-105.1 161.6 -1.4 -2.5 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.703 84.3 155.5 68.3 22.6 -4.1 0.1 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.579 22.3 148.8 -86.0 140.0 -6.6 -2.5 -0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.330 81.7 31.1-117.4 -82.0 -9.6 -2.0 1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.654 72.9-162.5 -73.9 111.1 -12.2 -4.6 0.8 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.602 86.6 53.9 -74.9 -9.2 -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 0.460 106.2 57.3 -98.8 -3.4 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.9 76,-0.1 -4,-0.3 -0.991 77.7-129.3-133.6 133.7 -13.8 -6.2 -4.3 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.747 33.4 172.6 -80.8 108.6 -11.8 -4.0 -6.8 59 77 A E - 0 0 98 -2,-0.9 -1,-0.2 -5,-0.2 -4,-0.0 0.525 50.7 -99.6-102.7 -11.4 -12.6 -0.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.337 104.3 75.5 117.3 -4.8 -10.2 1.5 -7.6 61 79 A N + 0 0 69 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.333 67.9 118.9-114.6 5.9 -7.1 2.3 -5.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.347 42.2-165.8 -74.1 150.0 -5.4 -1.1 -5.8 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.981 8.0-161.1-128.7 123.8 -2.0 -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 -0.935 18.1 169.1-106.0 118.7 -1.4 -5.7 -7.8 65 83 A I E -N 48 0C 12 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.991 28.5-130.2-136.9 123.8 2.3 -6.5 -8.3 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.373 28.7-110.8 -69.4 148.0 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 21 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.634 21.7-167.3 -76.9 136.6 7.0 -10.7 -6.1 68 86 A S E S- 0 0 60 21,-2.6 2,-0.3 1,-0.3 22,-0.2 0.718 73.8 -1.3 -90.9 -29.7 10.3 -11.2 -8.0 69 87 A K E -O 89 0C 84 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.981 56.5-151.5-159.4 149.7 12.0 -12.6 -4.9 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.959 8.9-163.3-120.9 142.3 11.5 -13.3 -1.2 71 89 A I E -O 87 0C 35 16,-3.1 16,-2.6 -2,-0.4 2,-0.2 -0.915 5.1-160.5-129.3 103.5 14.3 -13.3 1.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.588 41.5 -89.9 -76.6 142.7 13.7 -15.1 4.7 73 91 A H > - 0 0 24 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.278 33.4-126.6 -54.7 136.5 15.9 -14.0 7.5 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 108.2 44.4 -59.0 -25.9 19.1 -16.2 7.6 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.185 79.1 138.6-104.6 13.3 18.5 -17.0 11.3 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.433 34.3-165.0 -62.9 126.3 14.8 -17.7 11.1 77 95 A N > - 0 0 67 5,-2.1 4,-1.9 -2,-0.2 5,-0.5 -0.973 7.4-162.0-112.6 114.9 13.8 -20.7 13.2 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.676 87.3 55.4 -73.3 -17.8 10.3 -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 0.941 123.8 22.6 -76.5 -50.0 9.9 -23.9 15.6 80 98 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.607 97.3-133.4 -89.0 -15.4 10.7 -21.0 18.0 81 99 A L >< + 0 0 33 -4,-1.9 3,-0.8 1,-0.2 -3,-0.2 0.631 47.6 160.3 61.1 20.4 9.7 -18.3 15.6 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.2 -0.503 66.7 16.3 -68.2 137.9 12.9 -16.5 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.905 80.1 180.0 62.1 46.1 13.8 -13.9 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.490 35.5 115.0 -80.4 75.2 10.3 -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 36.2 176.8-147.5 144.3 11.0 -11.6 9.4 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.992 18.8-140.4-148.4 145.4 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 -0.894 13.0-164.4-108.0 140.4 11.6 -9.3 2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.993 7.2-151.6-125.5 124.7 9.7 -9.4 -0.5 89 107 A K E -MO 34 69C 43 -20,-2.9 -21,-2.6 -2,-0.4 -20,-1.1 -0.826 15.9-131.1 -96.1 136.5 10.8 -7.5 -3.6 90 108 A L E - 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