==== 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 3A87 . 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) . 9184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 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 . 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.4 -8.0 -8.6 14.5 2 20 A V B +A 171 0A 9 169,-3.2 169,-1.9 1,-0.2 123,-0.1 -0.873 360.0 5.4-102.5 131.4 -10.2 -9.4 17.5 3 21 A G S S+ 0 0 48 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.740 103.2 119.4 72.9 23.2 -11.9 -6.6 19.4 4 22 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.001 57.4-112.0-100.0-154.2 -10.7 -3.9 17.0 5 23 A Y E -B 137 0B 98 132,-2.6 132,-3.1 -3,-0.1 2,-0.5 -0.931 34.6 -85.7-142.7 161.2 -12.4 -1.5 14.7 6 24 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.613 37.0-151.2 -70.5 119.3 -12.9 -0.8 11.0 7 25 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.900 35.8-113.5 -59.5 -44.1 -9.8 1.2 10.0 8 26 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.027 46.9 -58.7 105.4 136.3 -11.5 3.1 7.1 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.235 117.6 -11.1 -53.6 123.7 -10.5 2.6 3.4 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.673 91.7 125.6 62.0 24.6 -6.8 3.4 2.7 11 29 A T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.525 74.6 50.7 -84.0 -9.3 -6.2 4.9 6.1 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.705 73.9 175.0-125.4 73.8 -3.3 2.5 6.7 13 31 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.623 72.7 55.5 -70.5 -13.3 -1.5 3.1 3.4 14 32 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.506 82.1 109.8 -90.8 -9.0 1.5 0.9 4.1 15 33 A Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.559 48.9-173.4 -72.2 125.4 -0.6 -2.2 4.8 16 34 A V E -J 27 0C 0 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.842 19.4-140.0-115.7 156.2 -0.4 -4.9 2.1 17 35 A S E -JK 26 49C 1 32,-2.4 32,-2.9 -2,-0.3 2,-0.6 -0.964 15.2-142.9-108.8 129.9 -2.2 -8.1 1.5 18 36 A L E -JK 25 48C 0 7,-3.2 6,-2.6 -2,-0.5 7,-0.9 -0.858 24.0-166.3 -92.2 126.6 -0.2 -11.1 0.4 19 37 A N E +JK 23 47C 19 28,-2.9 28,-2.6 -2,-0.6 4,-0.2 -0.947 31.4 165.7-123.1 127.5 -2.2 -13.1 -2.1 20 38 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.277 97.4 -46.6-125.9 47.2 -1.7 -16.6 -3.5 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.177 140.5 26.5 102.6 -12.1 -5.2 -17.0 -5.0 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.934 104.1 -78.9-168.6 154.8 -6.6 -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 -0.528 52.3 159.0 -61.9 131.7 -5.3 -13.4 1.1 24 42 A F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.532 58.1 3.0-130.8 -12.8 -3.0 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-0.9 -7,-3.2 151,-0.1 -1,-0.4 -0.975 61.9-121.0-164.9 157.7 -0.8 -12.8 5.3 26 44 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.404 27.4 178.8 -92.5 178.7 -0.3 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.1 2,-0.4 -0.949 24.7-117.3-166.4 174.8 2.9 -7.1 5.2 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.993 20.1-132.0-129.9 127.9 4.2 -3.6 5.4 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.3 -2,-0.4 6,-0.2 -0.679 27.2 173.6 -78.1 123.8 5.5 -1.5 2.4 30 48 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.583 66.3 -8.0-112.1 -14.5 8.9 0.0 3.4 31 49 A N E > S- L 0 34C 47 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.934 89.7 -77.3-161.2-179.7 9.8 1.5 0.0 32 50 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.717 128.4 28.5 -56.5 -21.1 8.5 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 0.405 110.2 68.7-120.2 -2.7 10.0 -2.0 -4.2 34 52 A W E < -LM 31 89C 1 -3,-0.9 -4,-2.4 55,-0.2 -3,-1.2 -0.980 47.4-169.4-136.6 140.3 10.1 -3.8 -0.9 35 53 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.4 -0.946 14.1-145.9-122.7 139.8 7.7 -5.3 1.7 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.914 33.6 149.8-102.3 132.9 8.4 -6.6 5.2 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.3 -0.767 49.6 -71.2-141.3-171.2 6.4 -9.6 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.701 32.7-132.1 -85.8 141.2 6.8 -12.6 8.8 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.830 107.9 65.6 -57.5 -34.3 9.1 -15.5 7.7 40 58 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.619 92.6 64.3 -67.9 -7.8 6.3 -17.9 8.6 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.418 76.9 131.2 -85.4 -4.1 4.3 -16.3 5.7 42 60 A Y < + 0 0 135 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.278 20.9 132.4 -57.9 133.5 6.9 -17.6 3.2 43 61 A K - 0 0 57 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.938 52.0-102.2-162.8 167.2 5.6 -19.3 0.1 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.481 94.6 41.4 -87.2 164.7 6.2 -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 0.884 74.0 170.9 71.3 41.4 3.8 -17.4 -6.1 46 64 A I - 0 0 10 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.709 19.6-166.2 -86.4 132.5 3.1 -14.3 -4.0 47 65 A Q E -KN 19 66C 51 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.987 17.3-140.5-109.9 129.3 1.2 -11.4 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.762 12.5-158.6 -89.8 127.9 1.5 -8.3 -3.3 49 67 A R E -KN 17 64C 51 -32,-2.9 -32,-2.4 -2,-0.5 3,-0.3 -0.942 13.2-177.4-113.9 112.4 -1.8 -6.3 -3.2 50 68 A L E + N 0 63C 2 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.663 61.3 31.3-102.5 159.9 -1.4 -2.6 -2.2 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.713 84.5 157.1 67.8 22.9 -4.1 0.0 -1.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.566 21.3 149.4 -82.7 140.1 -6.6 -2.6 -0.4 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.1 0.317 80.7 30.7-117.1 -82.5 -9.6 -2.1 1.8 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.649 72.7-161.0 -74.6 112.1 -12.1 -4.7 0.8 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.563 87.8 52.1 -73.8 -6.1 -9.9 -7.6 -0.3 56 74 A N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.371 105.9 56.9-106.9 0.1 -12.9 -9.2 -2.2 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -0.999 77.6-128.0-136.0 133.1 -13.9 -6.1 -4.3 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.741 34.5 172.1 -80.3 111.5 -11.9 -4.0 -6.7 59 77 A E - 0 0 99 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.573 50.7 -97.9-105.3 -15.2 -12.6 -0.6 -5.3 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.347 104.2 74.3 122.4 -5.5 -10.2 1.6 -7.4 61 79 A N + 0 0 65 -10,-0.3 -9,-0.1 38,-0.0 2,-0.0 0.349 66.9 122.2-116.5 5.7 -7.0 2.2 -5.5 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.306 39.8-167.2 -68.7 146.3 -5.4 -1.2 -5.7 63 81 A Q E -N 50 0C 37 -13,-2.0 -13,-3.1 2,-0.1 2,-0.6 -0.970 7.6-163.6-126.0 122.8 -2.0 -2.0 -7.2 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.932 16.9 169.3-104.5 119.5 -1.4 -5.7 -7.8 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-2.9 -2,-0.6 -2,-0.1 -0.993 30.0-126.5-137.1 123.9 2.4 -6.5 -8.2 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.338 28.8-112.3 -63.5 146.2 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 15 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.625 23.0-167.9 -75.9 137.1 6.9 -10.7 -6.0 68 86 A S E S- 0 0 59 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.710 71.5 -1.4 -94.8 -27.7 10.2 -11.2 -7.8 69 87 A K E -O 89 0C 87 20,-1.2 20,-3.0 2,-0.0 2,-0.4 -0.974 56.1-152.8-160.1 150.4 12.0 -12.6 -4.8 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.954 7.8-163.8-122.2 142.3 11.6 -13.4 -1.2 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.6 -2,-0.4 2,-0.2 -0.927 6.5-158.4-129.2 105.5 14.3 -13.4 1.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.585 42.0 -88.2 -75.4 143.7 13.6 -15.2 4.7 73 91 A H > - 0 0 23 12,-2.4 3,-2.0 10,-0.2 -1,-0.1 -0.258 35.1-125.3 -51.7 135.4 15.9 -14.1 7.6 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.791 109.1 42.9 -56.3 -26.4 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 0.207 79.0 140.5-107.7 13.0 18.4 -17.2 11.2 76 94 A Y < - 0 0 55 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.386 33.6-163.7 -59.1 128.7 14.7 -17.8 11.1 77 95 A N > - 0 0 67 5,-2.2 4,-2.2 1,-0.1 5,-0.5 -0.973 6.8-163.3-115.4 112.5 13.7 -20.8 13.2 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.697 86.8 56.4 -72.7 -18.2 10.2 -22.0 12.3 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.918 123.7 21.3 -76.3 -45.6 9.9 -24.1 15.5 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.600 97.4-131.5 -95.3 -15.0 10.5 -21.2 17.9 81 99 A L >< + 0 0 33 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.620 48.9 160.0 63.9 17.8 9.6 -18.4 15.5 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.527 67.2 16.2 -65.2 136.9 12.8 -16.7 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.2 0.899 80.2 179.8 63.7 45.1 13.7 -14.1 13.8 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.495 35.6 114.6 -79.6 76.2 10.2 -14.2 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.998 36.5 177.3-150.7 141.1 10.9 -11.7 9.4 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.8 -2,-0.3 2,-0.4 -0.992 18.7-141.4-145.2 146.0 11.1 -11.9 5.6 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.900 13.4-163.6-106.9 140.7 11.6 -9.3 2.9 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.994 7.3-150.2-124.8 125.4 9.7 -9.5 -0.4 89 107 A K E -MO 34 69C 44 -20,-3.0 -21,-3.2 -2,-0.4 -20,-1.2 -0.822 16.5-130.9 -94.8 134.1 10.8 -7.6 -3.5 90 108 A L E - 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