==== 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 3A8A . 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) . 9287.0 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 . 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 . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 0 1 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 0.000 360.0 360.0 360.0 123.2 -8.0 -8.6 14.5 2 20 A V B +A 171 0A 9 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.878 360.0 5.3-101.7 131.5 -10.3 -9.4 17.4 3 21 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.701 102.8 117.3 72.9 22.0 -12.0 -6.5 19.3 4 22 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.037 58.0-110.1 -97.7-152.9 -10.8 -3.8 16.9 5 23 A Y E -B 137 0B 97 132,-2.4 132,-2.9 -3,-0.1 2,-0.5 -0.940 34.7 -86.2-142.6 159.0 -12.5 -1.4 14.5 6 24 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.601 37.0-151.4 -67.8 119.6 -12.9 -0.8 10.8 7 25 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.901 35.0-115.3 -60.5 -43.5 -9.8 1.2 9.8 8 26 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.001 46.6 -55.9 103.7 141.3 -11.5 3.0 6.9 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.241 117.9 -11.7 -59.6 123.5 -10.4 2.6 3.3 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.657 92.0 125.7 63.8 21.6 -6.7 3.3 2.6 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.533 74.8 49.9 -83.3 -8.7 -6.2 4.9 6.0 12 30 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.714 74.6 175.0-124.8 74.9 -3.3 2.4 6.6 13 31 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.618 72.1 55.4 -70.9 -12.8 -1.5 3.1 3.3 14 32 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.475 82.4 108.8 -91.6 -7.7 1.6 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 -0.585 48.6-175.5 -74.2 125.9 -0.6 -2.2 4.8 16 34 A V E -J 27 0C 2 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.852 20.8-138.3-116.8 158.6 -0.4 -4.9 2.1 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.963 15.3-142.7-108.1 131.3 -2.2 -8.2 1.5 18 36 A L E -JK 25 48C 0 7,-3.1 6,-2.6 -2,-0.5 7,-1.0 -0.862 24.8-167.4 -93.9 128.0 -0.1 -11.2 0.3 19 37 A N E +JK 23 47C 18 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.957 31.6 167.8-127.0 129.5 -2.1 -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 -0.314 97.7 -46.5-128.5 48.2 -1.5 -16.7 -3.6 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.177 140.6 28.8 101.7 -10.6 -5.0 -17.0 -5.1 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.939 102.9 -80.5-169.6 153.5 -6.4 -15.8 -1.8 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.522 51.7 158.0 -62.7 131.5 -5.3 -13.5 1.0 24 42 A F E + 0 0 33 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.507 57.6 4.1-132.0 -13.0 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.982 61.1-120.4-164.9 158.7 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.429 28.4 176.4 -93.2 176.8 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.952 25.1-116.6-168.2 174.0 2.9 -7.2 5.2 28 46 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.989 19.4-131.5-129.5 128.0 4.3 -3.6 5.3 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.660 27.2 172.9 -77.6 121.9 5.5 -1.5 2.4 30 48 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.610 66.8 -9.8-109.8 -16.4 8.9 -0.0 3.4 31 49 A N E > S- L 0 34C 48 3,-1.3 3,-0.6 70,-0.1 -1,-0.3 -0.923 88.9 -77.6-159.0-174.7 9.9 1.5 -0.0 32 50 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.692 128.7 30.7 -63.6 -16.8 8.6 1.4 -3.6 33 51 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.505 110.0 67.4-117.1 -9.4 10.2 -2.0 -4.2 34 52 A W E < -LM 31 89C 0 -3,-0.6 -4,-2.5 55,-0.2 -3,-1.3 -0.957 46.8-170.6-134.3 139.2 10.1 -3.9 -0.8 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.5 -0.949 14.5-146.7-121.2 139.6 7.7 -5.4 1.7 36 54 A V E +LM 28 87C 1 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.919 33.3 147.6-103.5 132.6 8.5 -6.6 5.2 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.5 2,-0.3 -0.745 49.8 -68.6-142.9-167.9 6.4 -9.6 6.5 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.702 32.5-132.2 -90.9 143.3 6.8 -12.6 8.8 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.819 107.3 65.9 -60.7 -30.6 9.1 -15.5 7.8 40 58 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.630 93.4 63.0 -70.0 -7.9 6.3 -17.9 8.7 41 59 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.430 76.9 130.6 -87.8 -4.1 4.4 -16.3 5.7 42 60 A Y < + 0 0 136 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.255 21.4 134.2 -53.8 133.2 7.0 -17.6 3.2 43 61 A K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.929 52.0-101.6-163.0 165.3 5.7 -19.4 0.1 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.492 95.2 40.0 -83.9 161.7 6.4 -19.2 -3.6 45 63 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.880 74.0 171.8 72.1 41.3 4.1 -17.4 -6.1 46 64 A I - 0 0 8 -3,-0.3 21,-2.9 -26,-0.1 2,-0.5 -0.687 19.2-165.1 -85.9 131.7 3.3 -14.4 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.983 16.7-141.2-108.9 127.8 1.4 -11.5 -5.5 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.759 11.6-157.8 -89.5 129.3 1.6 -8.3 -3.3 49 67 A R E -KN 17 64C 52 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.937 13.1-177.5-115.4 112.1 -1.7 -6.3 -3.2 50 68 A L E + N 0 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.661 61.3 30.6-102.3 159.0 -1.3 -2.7 -2.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.707 83.9 155.3 67.2 22.2 -4.0 -0.0 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.587 21.6 151.8 -83.1 140.7 -6.5 -2.6 -0.6 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.410 80.9 30.4-115.8 -79.1 -9.6 -2.1 1.6 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.3 3,-0.2 -1,-0.4 -0.717 73.0-159.6 -77.8 112.0 -12.1 -4.8 0.8 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.562 88.9 52.0 -72.1 -6.7 -9.9 -7.7 -0.4 56 74 A N T 3 S+ 0 0 124 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.373 105.6 58.0-106.4 0.9 -12.8 -9.2 -2.3 57 75 A V S < S- 0 0 75 -3,-1.3 2,-0.8 76,-0.1 -4,-0.3 -0.999 76.8-130.1-135.5 130.6 -13.8 -6.1 -4.3 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.737 33.7 172.3 -78.2 113.2 -11.8 -4.1 -6.8 59 77 A E - 0 0 96 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.532 51.1 -95.9-108.6 -11.7 -12.5 -0.6 -5.4 60 78 A G S S+ 0 0 62 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.292 105.3 72.5 121.8 -9.6 -10.1 1.6 -7.5 61 79 A N + 0 0 65 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.312 67.1 122.9-118.2 9.1 -6.9 2.2 -5.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.331 39.0-168.0 -72.4 148.8 -5.3 -1.3 -5.8 63 81 A Q E -N 50 0C 40 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.6 -0.969 7.0-164.0-131.1 120.8 -1.9 -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 16.7 169.8-105.2 118.5 -1.3 -5.9 -7.8 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.991 29.2-127.7-134.8 124.1 2.4 -6.6 -8.3 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.370 29.0-111.3 -66.4 146.1 4.0 -10.1 -8.3 67 85 A A E -O 90 0C 15 -21,-2.9 23,-0.3 23,-0.2 -22,-0.1 -0.595 23.4-169.3 -73.3 137.9 7.0 -10.8 -6.0 68 86 A S E S+ 0 0 62 21,-2.7 2,-0.3 1,-0.3 22,-0.2 0.705 72.0 3.5 -94.7 -26.6 10.3 -11.3 -7.8 69 87 A K E -O 89 0C 91 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.987 56.7-155.1-158.4 144.7 12.2 -12.6 -4.8 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.977 7.7-164.6-122.4 142.0 11.7 -13.5 -1.1 71 89 A I E -O 87 0C 34 16,-3.1 16,-2.6 -2,-0.4 2,-0.2 -0.923 5.3-159.6-128.8 105.1 14.4 -13.4 1.5 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.595 42.4 -88.4 -76.3 141.7 13.7 -15.2 4.8 73 91 A H > - 0 0 22 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.235 35.4-122.8 -50.6 137.7 15.9 -14.0 7.7 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 110.1 40.9 -57.2 -24.7 19.2 -16.1 7.8 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.163 79.2 143.2-112.0 15.7 18.5 -17.2 11.4 76 94 A Y < - 0 0 54 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.376 31.6-164.0 -58.8 127.9 14.7 -17.9 11.2 77 95 A N > - 0 0 65 5,-2.2 4,-2.1 -2,-0.1 5,-0.4 -0.968 7.5-163.1-115.6 114.5 13.7 -20.9 13.3 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.655 87.0 55.8 -74.3 -16.0 10.3 -22.1 12.3 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.916 123.7 21.6 -77.7 -47.0 9.9 -24.1 15.6 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.600 97.1-131.0 -94.3 -14.8 10.5 -21.2 18.0 81 99 A L >< + 0 0 31 -4,-2.1 3,-0.8 1,-0.3 2,-0.2 0.595 48.9 160.5 62.9 17.1 9.6 -18.4 15.6 82 100 A N T 3 + 0 0 39 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.492 67.6 15.4 -63.5 133.2 12.8 -16.7 16.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.902 79.7 179.4 65.8 46.9 13.7 -14.2 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.495 36.3 112.6 -83.4 74.8 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 -0.996 36.5 175.9-147.8 144.0 10.9 -11.8 9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.988 20.0-138.7-147.8 149.8 11.2 -11.9 5.7 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -0.891 13.9-162.8-109.0 142.2 11.7 -9.3 2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.995 7.3-149.8-127.1 125.1 9.7 -9.5 -0.4 89 107 A K E -MO 34 69C 39 -20,-2.8 -21,-2.7 -2,-0.4 -20,-1.1 -0.805 15.2-130.9 -95.0 136.6 10.9 -7.7 -3.5 90 108 A L E - 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