==== 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 3A89 . 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) . 9194.0 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 . 70 31.4 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 1 3 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 0.000 360.0 360.0 360.0 122.5 -8.1 -8.7 14.6 2 20 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.886 360.0 5.6-101.8 131.5 -10.3 -9.5 17.5 3 21 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.713 103.6 115.8 74.4 21.5 -12.0 -6.7 19.5 4 22 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.021 58.8-109.5-100.6-152.1 -10.8 -4.0 17.1 5 23 A Y E -B 137 0B 97 132,-2.7 132,-2.9 -3,-0.1 2,-0.5 -0.945 34.7 -85.5-142.8 159.6 -12.5 -1.6 14.7 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.592 37.6-150.6 -66.6 118.5 -13.0 -1.0 11.0 7 25 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.900 35.6-114.1 -57.8 -44.3 -9.9 1.1 10.0 8 26 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.014 47.5 -57.4 104.4 136.9 -11.6 3.0 7.1 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.224 117.9 -11.2 -53.9 124.5 -10.6 2.5 3.4 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.651 91.9 125.9 61.3 23.0 -6.9 3.2 2.7 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.557 74.4 50.7 -83.7 -8.8 -6.3 4.8 6.2 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.726 74.5 175.4-124.9 74.6 -3.4 2.4 6.7 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.626 72.8 54.8 -70.1 -14.3 -1.6 3.0 3.4 14 32 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.477 82.0 111.5 -89.9 -7.8 1.5 0.8 4.1 15 33 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.553 48.1-173.8 -73.8 124.5 -0.7 -2.3 4.8 16 34 A V E -J 27 0C 0 11,-2.6 11,-1.1 -2,-0.4 2,-0.5 -0.847 19.7-141.1-115.1 155.7 -0.4 -5.0 2.2 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.9 -2,-0.3 2,-0.5 -0.972 15.4-142.7-108.8 128.3 -2.2 -8.2 1.6 18 36 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-1.0 -0.853 24.6-166.3 -90.1 126.4 -0.1 -11.2 0.4 19 37 A N E +JK 23 47C 19 28,-2.9 28,-2.5 -2,-0.5 4,-0.2 -0.947 31.8 166.3-123.5 128.6 -2.2 -13.2 -2.1 20 38 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.317 97.9 -46.3-127.8 48.2 -1.6 -16.7 -3.6 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.201 140.4 26.9 101.6 -11.1 -5.1 -17.0 -5.0 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.930 103.3 -79.0-168.2 155.5 -6.6 -15.7 -1.7 23 41 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.525 52.6 157.7 -60.8 132.6 -5.4 -13.4 1.1 24 42 A F E + 0 0 35 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.512 58.5 5.3-133.2 -12.6 -3.0 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.980 61.9-122.0-162.9 157.8 -0.9 -12.9 5.3 26 44 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.425 27.5 177.7 -92.6 179.2 -0.3 -9.2 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.6 -2,-0.2 2,-0.4 -0.950 24.9-118.1-169.5 171.4 2.9 -7.2 5.2 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.991 19.9-131.3-128.9 127.9 4.2 -3.6 5.4 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.663 26.8 174.6 -76.7 123.8 5.4 -1.6 2.4 30 48 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.590 66.1 -9.3-111.2 -15.2 8.8 -0.0 3.4 31 49 A N E > S- L 0 34C 48 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.932 89.7 -75.7-159.9-175.1 9.7 1.5 0.1 32 50 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.714 128.7 27.8 -60.3 -20.5 8.5 1.5 -3.5 33 51 A Q T 3 S+ 0 0 73 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.417 110.1 69.0-119.7 -2.7 10.0 -2.0 -4.2 34 52 A W E < -LM 31 89C 2 -3,-0.7 -4,-2.4 55,-0.2 -3,-1.3 -0.975 47.4-169.1-134.8 140.7 10.1 -3.8 -0.8 35 53 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.5 -0.952 14.0-146.3-121.9 140.5 7.7 -5.4 1.7 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.908 33.7 149.4-102.4 132.1 8.4 -6.6 5.2 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.5 2,-0.3 -0.750 49.2 -70.7-141.2-168.9 6.4 -9.6 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.3 -0.695 32.3-132.2 -88.5 143.7 6.8 -12.6 8.8 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.846 107.5 65.2 -60.2 -33.7 9.1 -15.5 7.7 40 58 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.649 93.4 63.5 -67.7 -10.1 6.3 -17.9 8.6 41 59 A b G < S+ 0 0 3 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.2 0.453 76.7 131.8 -84.8 -4.1 4.4 -16.3 5.7 42 60 A Y < + 0 0 133 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.0 -0.231 21.4 134.5 -54.7 133.2 7.0 -17.6 3.2 43 61 A K - 0 0 56 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.935 51.1-103.6-162.5 165.6 5.6 -19.3 0.1 44 62 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.490 94.6 40.6 -86.2 163.7 6.3 -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 0.881 74.6 170.8 72.2 40.4 3.9 -17.4 -6.1 46 64 A I - 0 0 9 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.700 19.8-165.7 -86.4 132.7 3.2 -14.4 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.9 -2,-0.4 2,-0.5 -0.988 17.3-140.1-110.4 129.1 1.3 -11.5 -5.4 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.5 -2,-0.5 2,-0.6 -0.763 12.5-157.7 -90.2 127.1 1.5 -8.3 -3.3 49 67 A R E -KN 17 64C 52 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.926 13.5-176.7-113.2 112.2 -1.8 -6.4 -3.1 50 68 A L E + N 0 63C 2 13,-3.2 13,-2.0 -2,-0.6 -34,-0.1 -0.672 61.2 29.0-102.8 159.0 -1.4 -2.7 -2.2 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.711 83.9 156.9 67.3 22.5 -4.1 -0.1 -1.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.570 20.5 151.9 -82.1 139.6 -6.6 -2.7 -0.5 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.361 80.9 29.1-114.8 -81.3 -9.6 -2.2 1.7 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.5 1,-0.2 -1,-0.4 -0.688 73.9-159.3 -76.4 111.6 -12.2 -4.8 0.9 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.591 88.8 52.6 -71.8 -7.3 -10.0 -7.7 -0.3 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.316 105.3 57.9-106.2 4.3 -12.9 -9.3 -2.2 57 75 A V S < S- 0 0 74 -3,-1.5 2,-0.8 76,-0.1 -4,-0.3 -0.997 77.0-129.7-138.4 131.5 -13.9 -6.2 -4.2 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.736 33.8 172.7 -80.5 113.4 -11.9 -4.1 -6.7 59 77 A E - 0 0 96 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.563 50.2 -97.2-107.6 -13.0 -12.6 -0.6 -5.3 60 78 A G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.301 104.8 73.9 122.4 -9.2 -10.2 1.5 -7.4 61 79 A N + 0 0 65 -10,-0.3 -9,-0.1 38,-0.0 2,-0.0 0.344 67.3 122.9-115.3 6.1 -7.0 2.2 -5.5 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.302 38.7-169.1 -69.9 145.9 -5.4 -1.2 -5.8 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.2 2,-0.1 2,-0.6 -0.968 7.7-163.8-127.0 124.1 -2.0 -2.1 -7.2 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.938 16.4 169.6-106.2 120.0 -1.3 -5.8 -7.7 65 83 A I E -N 48 0C 14 -17,-2.5 -17,-2.9 -2,-0.6 2,-0.1 -0.995 28.4-129.0-135.9 124.6 2.4 -6.5 -8.2 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.399 29.1-109.1 -68.5 148.8 4.0 -10.0 -8.2 67 85 A A E -O 90 0C 14 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.584 23.3-168.7 -75.1 137.6 7.0 -10.7 -6.0 68 86 A S E S+ 0 0 63 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.701 73.2 0.6 -95.9 -27.5 10.3 -11.2 -7.9 69 87 A K E -O 89 0C 88 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.982 56.9-152.0-158.4 150.1 12.2 -12.5 -4.8 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.963 8.1-164.8-121.0 140.8 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 -0.917 5.3-160.5-128.5 103.7 14.4 -13.4 1.5 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.602 42.8 -88.1 -75.7 143.3 13.7 -15.2 4.7 73 91 A H > - 0 0 21 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.241 35.1-123.5 -51.3 137.6 15.9 -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 0.781 109.8 41.6 -55.8 -26.6 19.1 -16.1 7.6 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.194 78.5 141.5-110.5 14.1 18.5 -17.2 11.2 76 94 A Y < - 0 0 55 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.385 33.1-163.1 -61.0 129.4 14.7 -17.8 11.1 77 95 A N > - 0 0 65 5,-2.2 4,-2.2 -2,-0.1 5,-0.4 -0.971 7.6-162.1-115.6 112.1 13.8 -20.9 13.2 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.657 88.0 54.9 -70.1 -16.9 10.3 -22.2 12.3 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.902 123.5 22.4 -81.7 -43.8 10.0 -24.2 15.5 80 98 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.613 96.6-132.0 -94.9 -16.3 10.7 -21.3 18.0 81 99 A L >< + 0 0 36 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.601 49.0 159.6 65.9 17.9 9.7 -18.5 15.5 82 100 A N T 3 + 0 0 38 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.500 66.4 16.2 -67.9 137.7 12.9 -16.7 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.898 79.5 179.7 63.5 46.7 13.8 -14.2 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.477 35.6 114.3 -80.8 75.2 10.3 -14.3 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.998 36.5 177.6-148.7 142.9 10.9 -11.7 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.993 18.5-141.0-147.3 147.5 11.1 -11.8 5.7 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.888 13.2-164.6-109.6 142.0 11.6 -9.3 2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.993 7.8-150.4-127.9 123.8 9.7 -9.5 -0.4 89 107 A K E -MO 34 69C 43 -20,-2.9 -21,-3.1 -2,-0.4 -20,-1.2 -0.834 16.3-130.7 -95.9 136.2 10.8 -7.5 -3.5 90 108 A L E - 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0 0 27 -88,-1.4 -72,-0.3 -2,-0.4 2,-0.1 -0.987 45.3-111.4-147.0 148.0 2.7 4.7 1.0 102 120 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.408 26.6-132.1 -76.5 158.9 5.7 3.3 2.8 103 121 A I - 0 0 16 -74,-2.2 83,-0.1 -89,-0.2 2,-0.1 -0.939 26.9-110.5-110.5 136.7 6.1 3.1 6.5 104 122 A S B -c 186 0B 67 81,-0.6 83,-2.7 -2,-0.4 -73,-0.1 -0.334 25.3-126.5 -64.7 142.1 9.3 4.4 8.2 105 123 A L - 0 0 29 81,-0.2 83,-0.1 -75,-0.1 -1,-0.1 -0.577 35.8-100.9 -81.5 151.0 11.7 1.9 9.8 106 124 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.387 20.7-162.2 -73.3 155.0 12.6 2.6 13.4 107 125 A T S S+ 0 0 139 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.511 84.3 21.2-106.1 -13.8 15.9 4.2 14.3 108 126 A S S S- 0 0 79 0, 0.0 -1,-0.3 0, 0.0 102,-0.1 -0.982 91.6 -96.8-146.3 158.9 15.5 3.0 17.9 109 127 A c - 0 0 57 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.286 39.2-115.9 -72.7 154.8 13.4 0.4 19.7 110 128 A A - 0 0 28 78,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.573 25.9-128.1 -90.6 155.9 10.1 1.2 21.3 111 129 A S > - 0 0 84 -2,-0.2 3,-2.0 1,-0.1 31,-0.3 -0.718 31.6 -85.4-103.5 155.9 9.4 1.0 25.1 112 130 A A T 3 S+ 0 0 59 -2,-0.3 31,-0.2 1,-0.2 -1,-0.1 -0.274 115.3 35.8 -49.5 137.0 6.7 -0.8 27.1 113 131 A G T 3 S+ 0 0 59 29,-2.9 -1,-0.2 1,-0.4 2,-0.2 0.122 81.7 129.9 98.3 -19.2 3.6 1.5 27.3 114 132 A T < - 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