==== 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 3A8C . 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) . 9156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 69 30.9 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 . 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 . 3 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 0.000 360.0 360.0 360.0 124.0 -8.3 -7.4 14.2 2 20 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.854 360.0 2.6-102.1 130.6 -10.5 -8.1 17.2 3 21 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.706 103.0 116.3 72.8 22.8 -12.3 -5.2 18.9 4 22 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.040 58.2-106.4-101.6-150.1 -11.1 -2.5 16.4 5 23 A Y E -B 137 0B 95 132,-2.6 132,-2.9 -3,-0.1 2,-0.5 -0.930 33.7 -86.9-144.2 159.4 -12.8 -0.3 14.0 6 24 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.607 38.3-148.9 -68.9 119.9 -13.3 0.2 10.2 7 25 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.896 34.7-112.6 -57.9 -45.7 -10.2 2.2 9.1 8 26 A G > - 0 0 27 127,-0.4 3,-1.9 -3,-0.1 4,-0.3 0.078 48.8 -58.8 107.4 133.2 -11.9 4.1 6.3 9 27 A A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.161 116.6 -11.8 -52.4 127.3 -10.9 3.5 2.6 10 28 A N T 3 S+ 0 0 23 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.658 91.8 124.9 57.0 25.6 -7.3 4.1 1.8 11 29 A T S < S+ 0 0 87 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.517 77.4 48.5 -85.2 -8.6 -6.5 5.8 5.2 12 30 A V S > S+ 0 0 6 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.689 74.1 169.7-124.0 72.6 -3.7 3.3 5.7 13 31 A P T 3 S+ 0 0 32 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.587 71.1 57.8 -71.7 -8.7 -2.1 3.7 2.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.510 81.7 108.5 -91.3 -9.6 1.0 1.6 3.2 15 33 A Q E < -J 28 0C 5 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.539 49.4-174.8 -71.9 127.5 -1.1 -1.4 4.1 16 34 A V E -J 27 0C 2 11,-2.5 11,-1.2 -2,-0.3 2,-0.4 -0.865 20.1-138.7-117.8 159.6 -0.8 -4.3 1.6 17 35 A S E -JK 26 49C 1 32,-2.2 32,-2.6 -2,-0.3 2,-0.5 -0.965 14.5-143.7-110.2 132.1 -2.5 -7.7 1.2 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.1 -0.864 23.2-167.5 -94.4 128.5 -0.4 -10.7 0.2 19 37 A N E +JK 23 47C 19 28,-2.6 28,-2.4 -2,-0.5 4,-0.2 -0.963 29.6 168.4-126.8 128.7 -2.4 -13.0 -2.1 20 38 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.307 96.8 -47.6-127.9 48.0 -1.7 -16.5 -3.2 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.210 140.8 30.0 99.8 -11.8 -5.1 -17.2 -4.7 22 40 A Y S S- 0 0 134 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.941 102.6 -82.4-166.9 154.3 -6.6 -15.7 -1.5 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.507 52.4 157.1 -63.9 131.7 -5.5 -13.2 1.1 24 42 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.557 56.8 4.8-133.4 -15.9 -3.2 -14.8 3.6 25 43 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.985 61.1-120.6-160.1 161.6 -1.1 -12.1 5.3 26 44 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.420 27.2 179.5 -94.4 179.1 -0.6 -8.3 5.5 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.963 23.8-117.3-167.2 173.9 2.5 -6.3 4.8 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.992 19.1-132.8-129.7 129.2 3.8 -2.7 4.7 29 47 A L E + L 0 35C 1 -15,-2.3 74,-2.4 -2,-0.4 6,-0.2 -0.693 26.2 174.0 -81.1 118.6 5.0 -0.8 1.7 30 48 A I E - 0 0 17 4,-2.3 2,-0.3 -2,-0.6 75,-0.2 0.595 67.5 -11.9-103.9 -16.3 8.3 0.9 2.6 31 49 A N E > S- L 0 34C 46 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.930 89.6 -75.7-163.1-174.9 9.2 2.3 -0.9 32 50 A S T 3 S+ 0 0 36 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.689 128.8 30.7 -66.0 -13.7 7.9 1.9 -4.5 33 51 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.488 109.6 66.3-120.8 -6.8 9.6 -1.5 -4.8 34 52 A W E < -LM 31 89C 7 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.964 47.6-168.6-134.0 141.8 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 -0.973 14.4-146.0-124.7 136.8 7.3 -4.6 1.2 36 54 A V E +LM 28 87C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.891 34.6 148.1-100.6 130.3 8.1 -5.6 4.7 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.5 2,-0.3 -0.738 49.6 -70.2-141.3-169.5 6.1 -8.6 6.1 38 56 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.696 31.0-133.6 -89.2 142.7 6.6 -11.5 8.6 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.840 107.4 65.0 -60.4 -32.6 8.9 -14.3 7.7 40 58 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.615 93.7 62.7 -68.9 -8.5 6.2 -16.8 8.8 41 59 A b G < S+ 0 0 3 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.357 78.3 131.1 -88.1 -1.0 4.2 -15.4 5.9 42 60 A Y < + 0 0 124 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.1 -0.299 21.4 135.6 -57.0 134.4 6.7 -16.7 3.4 43 61 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.933 51.1-100.0-162.1 167.2 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 -0.466 96.4 36.0 -82.6 160.8 6.1 -18.8 -3.3 45 63 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.872 75.3 172.9 69.3 40.2 3.9 -17.2 -5.9 46 64 A I - 0 0 7 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.662 18.2-163.6 -82.0 133.2 3.0 -14.1 -3.9 47 65 A Q E -KN 19 66C 51 -28,-2.4 -28,-2.6 -2,-0.4 2,-0.4 -0.986 14.6-141.8-110.1 130.4 1.0 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-3.1 17,-3.1 -2,-0.5 2,-0.5 -0.782 11.8-159.1 -93.6 130.2 1.1 -8.0 -3.6 49 67 A R E -KN 17 64C 52 -32,-2.6 -32,-2.2 -2,-0.4 3,-0.3 -0.960 12.5-176.4-117.7 115.2 -2.2 -6.0 -3.6 50 68 A L E + N 0 63C 1 13,-3.1 13,-2.2 -2,-0.5 -34,-0.1 -0.719 60.8 30.7-107.8 157.2 -1.9 -2.3 -2.9 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.693 83.7 156.4 71.5 21.0 -4.6 0.4 -2.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.541 21.2 152.0 -81.6 141.2 -7.1 -2.2 -1.1 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.414 80.3 32.2-120.2 -72.7 -10.0 -1.5 1.1 54 72 A N S > S- 0 0 23 80,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.742 74.6-159.5 -80.3 112.3 -12.6 -4.3 0.4 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.663 87.2 52.1 -70.6 -11.6 -10.3 -7.2 -0.4 56 74 A N T 3 S+ 0 0 141 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.427 105.3 58.9-101.5 0.9 -13.1 -9.1 -2.2 57 75 A V S < S- 0 0 74 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.994 75.6-132.0-133.8 128.5 -14.1 -6.3 -4.6 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.721 31.2 174.2 -77.2 113.2 -12.1 -4.4 -7.2 59 77 A E - 0 0 102 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.510 51.1 -99.3-104.8 -12.1 -13.1 -0.8 -6.3 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.211 105.0 77.4 119.8 -13.6 -10.8 1.1 -8.7 61 79 A N + 0 0 67 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.390 67.7 116.7-104.7 4.1 -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 -0.302 44.3-163.2 -78.0 153.5 -5.9 -1.2 -6.5 63 81 A Q E -N 50 0C 38 -13,-2.2 -13,-3.1 2,-0.0 2,-0.6 -0.981 7.4-162.4-129.7 123.1 -2.5 -2.1 -7.9 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.936 16.9 172.0-106.4 118.2 -1.8 -5.8 -8.1 65 83 A I E -N 48 0C 13 -17,-3.1 -17,-3.1 -2,-0.6 2,-0.1 -0.990 27.9-127.9-133.2 128.4 1.9 -6.5 -8.5 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.395 28.4-113.1 -73.4 147.7 3.6 -9.9 -8.5 67 85 A A E -O 90 0C 26 -21,-2.7 23,-0.3 23,-0.2 -22,-0.1 -0.612 22.8-168.4 -76.4 136.5 6.6 -10.4 -6.2 68 86 A S E S+ 0 0 66 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.752 72.6 2.8 -94.0 -30.0 9.9 -11.0 -8.0 69 87 A K E -O 89 0C 78 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.992 56.9-154.3-153.0 153.3 11.8 -12.1 -4.9 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.984 9.6-164.5-126.9 137.8 11.2 -12.8 -1.2 71 89 A I E -O 87 0C 36 16,-3.2 16,-2.6 -2,-0.4 2,-0.3 -0.942 5.0-158.9-130.1 109.9 14.0 -12.6 1.4 72 90 A V E -O 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.634 40.6 -90.7 -83.8 142.2 13.5 -14.1 4.8 73 91 A H > - 0 0 22 12,-2.2 3,-2.0 10,-0.3 -1,-0.1 -0.285 34.6-125.4 -54.0 135.0 15.7 -12.8 7.5 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.709 109.2 43.0 -59.5 -21.5 18.9 -14.9 7.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.217 79.2 140.5-109.0 13.3 18.3 -15.7 11.4 76 94 A Y < - 0 0 54 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.358 33.7-164.3 -56.2 127.5 14.6 -16.3 11.3 77 95 A N > - 0 0 64 5,-2.3 4,-1.9 1,-0.1 5,-0.5 -0.962 7.5-163.5-118.0 111.8 13.7 -19.2 13.6 78 96 A S T 4 S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.662 86.9 56.8 -73.4 -15.5 10.2 -20.5 12.7 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.922 123.2 21.5 -77.0 -49.2 10.0 -22.4 16.1 80 98 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.558 97.5-130.8 -92.5 -14.1 10.6 -19.4 18.4 81 99 A L >< + 0 0 31 -4,-1.9 3,-0.9 1,-0.2 2,-0.2 0.610 49.6 160.0 62.4 17.1 9.5 -16.7 15.8 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.2 -0.490 67.4 14.0 -65.4 136.9 12.7 -14.9 16.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.897 80.3 178.7 60.4 45.7 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 -0.500 35.8 112.1 -79.8 76.2 10.1 -12.8 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.994 37.0 176.2-149.3 144.1 10.7 -10.4 9.3 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.986 20.9-135.8-148.0 152.5 10.9 -10.7 5.5 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.2 -2,-0.3 2,-0.5 -0.907 14.0-162.6-108.5 141.2 11.3 -8.4 2.5 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.5 -2,-0.4 2,-0.4 -0.991 7.9-150.6-125.5 124.1 9.3 -8.8 -0.7 89 107 A K E -MO 34 69C 37 -20,-2.7 -21,-2.9 -2,-0.5 -20,-1.1 -0.824 14.6-132.0 -97.0 135.2 10.4 -7.1 -3.9 90 108 A L E - 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