==== 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 3A80 . 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) . 9154.0 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 . 68 30.5 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 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 1 0 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 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.0 -8.3 -7.5 14.2 2 20 A V B +A 171 0A 9 169,-3.1 169,-2.2 1,-0.2 123,-0.1 -0.872 360.0 4.6-104.6 131.4 -10.5 -8.2 17.3 3 21 A G S S+ 0 0 49 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.689 103.8 118.5 72.5 21.8 -12.2 -5.2 19.0 4 22 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.053 57.0-109.5-100.6-153.9 -11.1 -2.7 16.5 5 23 A Y E -B 137 0B 97 132,-2.6 132,-3.2 -3,-0.1 2,-0.5 -0.930 33.4 -88.0-143.2 160.4 -12.7 -0.3 14.0 6 24 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.647 38.2-149.2 -71.4 120.0 -13.3 0.1 10.3 7 25 A a - 0 0 16 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.894 35.1-110.0 -59.7 -45.7 -10.2 2.2 9.2 8 26 A G > - 0 0 27 127,-0.4 3,-2.0 -3,-0.1 4,-0.3 0.065 48.9 -61.6 108.9 129.7 -11.8 4.0 6.3 9 27 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.156 116.7 -10.8 -50.5 123.7 -10.9 3.4 2.7 10 28 A N T 3 S+ 0 0 30 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.626 91.5 124.7 61.6 20.2 -7.2 4.0 1.9 11 29 A T S < S+ 0 0 85 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.550 77.7 49.5 -79.7 -9.2 -6.5 5.8 5.3 12 30 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.666 73.4 169.9-124.3 72.4 -3.7 3.2 5.7 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.605 71.6 57.3 -70.9 -11.6 -2.1 3.6 2.3 14 32 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.530 81.3 110.2 -88.7 -11.8 1.0 1.6 3.2 15 33 A Q E < -J 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.521 48.8-173.8 -66.1 125.7 -1.1 -1.5 4.1 16 34 A V E -J 27 0C 0 11,-2.7 11,-1.2 -2,-0.3 2,-0.5 -0.857 19.1-139.6-115.7 157.2 -0.7 -4.3 1.7 17 35 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.959 14.6-142.1-106.9 132.4 -2.5 -7.7 1.3 18 36 A L E -JK 25 48C 0 7,-3.1 6,-2.6 -2,-0.5 7,-1.0 -0.857 24.0-166.6 -92.3 125.6 -0.4 -10.7 0.3 19 37 A N E +JK 23 47C 19 28,-2.8 28,-2.4 -2,-0.5 4,-0.2 -0.942 30.2 166.6-121.8 129.7 -2.4 -13.0 -2.1 20 38 A S S S- 0 0 29 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.302 96.6 -48.8-129.4 48.3 -1.7 -16.5 -3.2 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.202 140.6 30.5 99.1 -11.1 -5.1 -17.1 -4.8 22 40 A Y S S- 0 0 134 -4,-0.0 -2,-2.4 0, 0.0 2,-0.2 -0.945 103.1 -82.6-166.7 153.4 -6.6 -15.7 -1.5 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.528 52.7 156.4 -63.3 132.1 -5.6 -13.2 1.1 24 42 A F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.3 0.511 57.3 5.7-134.6 -12.4 -3.2 -14.8 3.6 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.984 61.2-121.3-162.6 161.5 -1.1 -12.1 5.3 26 44 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.490 26.1 179.9 -97.6 179.4 -0.5 -8.4 5.5 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.7 -2,-0.2 2,-0.4 -0.949 23.9-119.0-166.8 172.0 2.6 -6.3 4.7 28 46 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.994 20.3-130.9-128.5 128.2 3.8 -2.7 4.8 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.6 -2,-0.4 6,-0.2 -0.687 27.0 174.6 -77.2 119.1 5.0 -0.8 1.7 30 48 A I E - 0 0 17 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.594 67.5 -12.4-104.2 -16.5 8.4 0.8 2.6 31 49 A N E > S- L 0 34C 43 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.929 90.2 -74.8-162.4-176.8 9.2 2.2 -0.8 32 50 A S T 3 S+ 0 0 37 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.681 128.9 29.6 -61.5 -17.0 7.9 1.9 -4.4 33 51 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.466 109.5 68.1-120.6 -5.0 9.6 -1.6 -4.8 34 52 A W E < -LM 31 89C 6 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.2 -0.968 47.6-169.3-132.8 140.0 9.7 -3.2 -1.4 35 53 A V E -LM 29 88C 0 53,-2.5 53,-2.5 -2,-0.4 2,-0.5 -0.969 14.9-145.4-121.4 137.5 7.3 -4.6 1.2 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.885 34.7 150.3 -98.4 131.5 8.1 -5.6 4.8 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.5 2,-0.3 -0.764 49.1 -72.4-141.0-171.2 6.2 -8.7 6.2 38 56 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.696 31.4-132.6 -89.4 142.4 6.6 -11.5 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.835 108.2 65.1 -59.6 -32.3 9.0 -14.4 7.8 40 58 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.625 93.4 63.5 -69.0 -7.4 6.2 -16.8 8.8 41 59 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.376 77.4 130.4 -88.7 -1.9 4.2 -15.4 5.9 42 60 A Y < + 0 0 125 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.302 21.6 137.1 -59.2 132.4 6.8 -16.7 3.4 43 61 A K - 0 0 57 -2,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.942 50.9-101.1-159.5 165.5 5.5 -18.7 0.4 44 62 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.457 97.2 36.2 -80.1 159.8 6.2 -18.9 -3.3 45 63 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.861 75.7 172.3 69.8 38.4 3.9 -17.2 -5.8 46 64 A I - 0 0 7 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.667 18.7-163.8 -81.5 133.2 3.0 -14.1 -3.8 47 65 A Q E -KN 19 66C 51 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.982 14.9-142.0-109.6 128.5 1.0 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.778 11.5-157.3 -90.1 129.9 1.2 -8.0 -3.6 49 67 A R E -KN 17 64C 51 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.947 12.9-174.8-115.0 116.2 -2.1 -6.1 -3.5 50 68 A L E + N 0 63C 2 13,-3.3 13,-2.1 -2,-0.6 -34,-0.1 -0.720 60.8 27.6-104.7 155.3 -1.9 -2.3 -2.9 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.2 -38,-0.3 2,-0.2 0.665 83.8 155.7 72.5 18.4 -4.6 0.4 -2.5 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.509 22.3 153.7 -78.9 139.7 -7.1 -2.2 -1.1 53 71 A D S S+ 0 0 12 1,-0.4 2,-0.8 4,-0.3 82,-0.3 0.436 81.3 32.2-115.6 -70.5 -10.0 -1.5 1.1 54 72 A N S > S- 0 0 25 80,-0.2 3,-1.3 3,-0.2 -1,-0.4 -0.764 73.1-160.6 -82.1 112.4 -12.5 -4.4 0.4 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.644 88.4 52.5 -71.7 -12.7 -10.2 -7.3 -0.5 56 74 A N T 3 S+ 0 0 142 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.418 105.7 57.8 -99.3 -1.5 -13.1 -9.1 -2.2 57 75 A V S < S- 0 0 76 -3,-1.3 2,-0.8 76,-0.2 -4,-0.3 -0.994 75.6-132.8-133.3 127.5 -14.1 -6.2 -4.6 58 76 A V + 0 0 110 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.734 29.7 176.6 -76.1 112.8 -12.1 -4.4 -7.2 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.424 49.9-101.2-105.0 -6.3 -13.0 -0.8 -6.2 60 78 A G S S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.189 104.6 78.6 111.8 -15.2 -10.7 1.0 -8.7 61 79 A N + 0 0 61 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.357 67.9 116.9-105.0 4.7 -7.7 2.2 -6.7 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.311 45.0-162.6 -79.0 154.9 -5.9 -1.1 -6.5 63 81 A Q E -N 50 0C 37 -13,-2.1 -13,-3.3 -2,-0.1 2,-0.6 -0.973 6.6-164.0-131.7 118.7 -2.5 -2.1 -7.8 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.925 16.8 172.5-102.7 117.5 -1.8 -5.8 -8.1 65 83 A I E -N 48 0C 10 -17,-2.8 -17,-2.9 -2,-0.6 -2,-0.1 -0.986 28.4-125.8-131.9 125.1 1.9 -6.5 -8.5 66 84 A S E -N 47 0C 58 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.329 27.9-113.5 -65.1 145.8 3.7 -9.9 -8.5 67 85 A A E -O 90 0C 27 -21,-2.8 23,-0.3 23,-0.2 -22,-0.1 -0.637 23.9-169.7 -74.5 135.4 6.6 -10.5 -6.1 68 86 A S E S+ 0 0 65 21,-3.2 2,-0.3 1,-0.3 22,-0.2 0.737 71.3 3.1 -94.5 -29.5 9.9 -11.0 -7.9 69 87 A K E -O 89 0C 84 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.990 56.9-154.1-153.2 156.2 11.8 -12.1 -4.8 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.979 8.6-165.4-130.7 138.3 11.3 -12.9 -1.2 71 89 A I E -O 87 0C 36 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.913 5.4-160.0-134.1 104.8 14.1 -12.6 1.4 72 90 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.567 41.5 -88.7 -79.6 143.7 13.5 -14.2 4.8 73 91 A H > - 0 0 22 12,-2.2 3,-2.0 10,-0.3 -1,-0.1 -0.293 34.5-125.8 -54.3 136.3 15.7 -12.8 7.6 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.749 109.4 41.3 -59.2 -25.5 19.0 -14.9 7.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.201 80.0 141.0-106.6 13.8 18.4 -15.7 11.4 76 94 A Y < - 0 0 53 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.376 34.1-163.0 -57.7 127.9 14.7 -16.3 11.3 77 95 A N > - 0 0 64 5,-2.3 4,-2.2 -2,-0.1 5,-0.5 -0.957 7.8-163.5-116.2 110.1 13.8 -19.2 13.6 78 96 A S T 4 S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.643 87.4 55.8 -70.6 -14.5 10.3 -20.6 12.7 79 97 A N T 4 S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.924 123.4 21.1 -80.5 -49.3 10.1 -22.4 16.1 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.573 97.8-131.3 -91.8 -14.5 10.7 -19.4 18.4 81 99 A L >< + 0 0 31 -4,-2.2 3,-0.9 1,-0.2 2,-0.2 0.653 49.3 160.0 62.6 19.0 9.6 -16.8 15.8 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.2 -0.516 67.3 16.0 -66.0 135.4 12.8 -14.9 16.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.894 79.5 179.0 64.2 42.8 13.6 -12.5 13.7 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.493 36.4 113.3 -76.3 73.4 10.1 -12.9 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.996 36.8 176.4-149.1 144.1 10.7 -10.5 9.3 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.985 20.4-138.5-147.3 146.8 10.9 -10.8 5.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.5 -0.911 14.1-161.3-106.3 142.7 11.4 -8.4 2.6 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.5 -2,-0.4 2,-0.5 -0.992 7.1-150.0-125.9 123.5 9.3 -8.8 -0.6 89 107 A K E -MO 34 69C 37 -20,-2.8 -21,-3.2 -2,-0.5 -20,-1.2 -0.832 15.4-131.2 -96.0 133.1 10.5 -7.2 -3.9 90 108 A L E - 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