==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-00 1F0T . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU,S.POUZIEUX,Y.M.CHOI-SLEDESKI, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9313.0 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 . 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 . 1 0.4 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 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.5 12.2 5.0 26.5 2 17 A V B +A 171 0A 9 169,-3.1 169,-2.0 1,-0.2 123,-0.1 -0.875 360.0 4.7-102.7 130.4 8.6 4.8 27.6 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.722 101.2 124.0 73.3 22.6 7.5 7.1 30.5 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.100 53.5-119.3 -98.2-160.8 10.8 8.9 30.8 5 20 A Y E -B 137 0B 117 132,-2.1 132,-3.1 -3,-0.1 2,-0.5 -0.926 35.8 -84.6-139.1 162.3 11.9 12.5 30.7 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.582 35.8-150.6 -71.3 120.9 14.2 14.6 28.5 7 22 A a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.913 36.8-113.5 -57.7 -48.5 17.6 14.2 29.9 8 23 A G > - 0 0 27 127,-0.5 3,-1.9 -3,-0.1 4,-0.2 -0.011 48.7 -54.5 114.8 137.0 18.9 17.6 28.9 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.132 119.0 -12.3 -47.9 125.6 21.7 18.2 26.3 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.695 89.8 128.7 54.5 28.8 24.9 16.3 27.1 11 26 A T S < S+ 0 0 87 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.511 74.7 49.7 -87.5 -5.1 23.8 15.4 30.7 12 27 A V S > S+ 0 0 7 -4,-0.2 3,-1.6 87,-0.1 -1,-0.3 -0.732 72.9 175.3-130.5 77.0 24.7 11.7 29.9 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.640 73.2 56.5 -60.5 -21.4 28.2 12.2 28.4 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.504 80.7 113.2 -90.5 -6.6 28.9 8.5 28.0 15 30 A Q E < -J 28 0C 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.490 47.4-170.6 -71.5 132.9 25.8 7.8 25.9 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.2 2,-0.5 -0.879 16.6-143.6-124.2 153.3 26.5 6.9 22.3 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.8 -2,-0.3 2,-0.6 -0.977 11.8-145.8-118.1 126.5 24.4 6.5 19.2 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.5 7,-1.0 -0.834 26.8-171.1 -92.0 126.2 25.2 3.7 16.7 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.3 -2,-0.6 4,-0.2 -0.948 33.5 164.6-127.7 139.1 24.3 5.0 13.2 20 37 A S S S- 0 0 36 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.260 96.4 -46.7-140.3 45.6 24.1 3.4 9.7 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.359 138.8 29.7 101.2 -2.3 22.2 6.1 7.9 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.914 100.5 -83.7-174.2 158.9 19.8 6.2 10.9 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.618 50.9 156.6 -77.5 130.1 19.9 5.6 14.6 24 41 A F E + 0 0 30 -6,-2.2 2,-0.3 1,-0.4 151,-0.3 0.560 58.3 4.6-129.0 -16.0 19.5 1.9 15.4 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.987 60.2-127.0-163.8 161.4 21.1 1.2 18.8 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.441 24.3 177.3-104.6-177.2 22.8 2.9 21.8 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.966 24.5-113.6-171.6 174.0 26.1 2.2 23.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.8 -2,-0.3 2,-0.6 -0.989 19.3-132.1-128.5 134.2 28.4 3.4 26.3 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.732 26.5 173.5 -83.4 118.2 31.8 4.9 26.0 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.563 68.7 -9.0-102.4 -11.9 34.1 3.1 28.5 31 48 A N E > S- L 0 34C 51 3,-1.1 3,-0.9 70,-0.1 -1,-0.3 -0.937 90.7 -76.3-169.0 171.3 37.4 4.8 27.4 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.636 127.8 26.6 -55.6 -15.9 38.6 7.1 24.6 33 50 A Q T 3 S+ 0 0 64 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.447 109.6 71.8-127.1 -0.9 38.7 4.2 22.0 34 51 A W E < -LM 31 89C 9 -3,-0.9 -4,-2.2 55,-0.2 -3,-1.1 -0.963 48.3-171.3-128.9 138.7 36.1 1.6 23.1 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.4 -0.934 13.9-146.0-121.4 141.5 32.3 1.5 23.3 36 53 A V E +LM 28 87C 1 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.925 33.8 145.5-108.7 133.4 30.2 -1.3 24.9 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.719 49.5 -66.6-145.6-165.9 26.9 -2.2 23.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.751 31.3-133.7 -97.1 143.1 24.6 -5.2 22.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.849 105.7 61.4 -61.1 -36.0 25.6 -8.2 20.6 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.547 94.6 65.2 -70.9 -2.7 22.2 -8.2 18.8 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.528 75.3 128.5 -91.8 -9.9 23.0 -4.7 17.6 42 59 A Y < + 0 0 127 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.0 -0.166 23.0 142.0 -53.4 137.3 25.9 -5.9 15.5 43 60 A K - 0 0 56 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.945 48.6-103.2-167.0 156.1 25.9 -4.9 11.8 44 61 A S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.526 96.4 39.2 -87.4 161.3 28.6 -3.9 9.4 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.955 76.8 173.1 67.9 51.3 29.3 -0.2 8.5 46 63 A I - 0 0 9 -3,-0.2 21,-2.2 21,-0.2 2,-0.5 -0.770 19.4-164.5 -96.6 135.0 28.7 1.3 11.9 47 64 A Q E -KN 19 66C 53 -28,-2.3 -28,-2.8 -2,-0.4 2,-0.5 -0.981 14.4-143.2-117.0 125.0 29.4 4.9 12.7 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.780 12.1-158.7 -89.9 126.7 29.6 5.8 16.4 49 66 A R E -KN 17 64C 49 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.933 12.3-173.6-112.7 116.0 28.1 9.2 17.2 50 67 A L E + N 0 63C 2 13,-3.1 13,-1.8 -2,-0.6 -34,-0.1 -0.679 60.0 26.6-105.9 158.7 29.3 10.9 20.4 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.785 85.6 155.1 62.7 30.7 28.2 14.0 22.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.557 23.7 150.7 -92.1 152.0 24.7 13.8 20.7 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.3 82,-0.3 0.327 80.1 36.2-135.1 -71.0 21.4 15.2 22.0 54 72 A N S > S- 0 0 25 80,-0.2 3,-1.0 3,-0.2 -1,-0.3 -0.815 71.6-164.7 -89.4 109.2 19.2 15.9 18.9 55 73 A I T 3 S+ 0 0 27 78,-2.2 -1,-0.1 -2,-0.9 79,-0.1 0.550 84.2 53.6 -73.7 -5.4 20.2 13.0 16.6 56 74 A N T 3 S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.507 106.0 53.6-105.7 -6.1 18.6 14.8 13.6 57 75 A V S < S- 0 0 78 -3,-1.0 2,-0.9 76,-0.2 -4,-0.3 -0.983 75.0-130.6-131.7 140.0 20.4 18.1 13.9 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.810 39.3 159.5 -87.0 110.8 24.0 19.0 14.1 59 77 A E - 0 0 107 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.456 55.6 -88.9-111.2 -5.2 24.1 21.4 17.1 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.110 101.3 66.9 108.2 150.6 27.7 21.2 18.0 61 79 A N S S+ 0 0 69 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.272 70.7 132.2 86.7 -9.0 29.7 18.9 20.4 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.414 37.4-168.0 -75.3 151.2 29.1 15.9 18.1 63 81 A Q E -N 50 0C 39 -13,-1.8 -13,-3.1 -2,-0.1 2,-0.6 -0.970 4.8-160.6-139.6 119.2 32.0 13.6 17.1 64 82 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.921 17.9 171.0-105.2 119.6 31.3 11.1 14.4 65 83 A I E -N 48 0C 12 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.994 28.7-126.9-133.4 131.7 33.8 8.2 14.4 66 84 A S E -N 47 0C 58 -2,-0.4 25,-2.8 -19,-0.2 2,-0.4 -0.399 29.4-111.8 -72.7 150.4 33.7 5.0 12.3 67 85 A A E -O 90 0C 26 -21,-2.2 23,-0.3 23,-0.2 -21,-0.2 -0.710 22.0-164.5 -82.7 130.6 34.0 1.7 14.1 68 86 A S E S- 0 0 64 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.822 73.5 -7.5 -83.0 -35.1 37.3 -0.1 13.3 69 87 A K E -O 89 0C 87 20,-1.3 20,-2.7 2,-0.0 2,-0.5 -0.979 57.3-146.8-160.6 149.8 36.1 -3.4 14.6 70 88 A S E -O 88 0C 36 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.986 11.6-161.5-122.0 127.8 33.1 -4.9 16.4 71 89 A I E -O 87 0C 34 16,-3.4 16,-2.5 -2,-0.5 2,-0.3 -0.890 4.7-164.6-115.8 101.5 33.7 -7.9 18.8 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.613 40.5 -92.9 -80.6 140.9 30.5 -9.8 19.6 73 91 A H > - 0 0 25 12,-2.1 3,-2.1 10,-0.3 -1,-0.1 -0.330 32.4-130.1 -55.3 130.3 30.9 -12.1 22.6 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.732 106.6 48.0 -55.4 -25.0 32.0 -15.6 21.3 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.214 78.4 136.8-102.6 13.7 29.2 -17.3 23.3 76 94 A Y < - 0 0 57 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.416 38.3-159.7 -62.7 131.1 26.4 -14.9 22.2 77 95 A N B >> -P 82 0D 66 5,-1.9 4,-2.5 -2,-0.1 5,-0.6 -0.960 10.0-162.5-118.2 113.6 23.2 -16.9 21.4 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.711 88.6 57.6 -67.3 -21.4 20.7 -15.1 19.2 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.871 123.7 19.7 -77.5 -38.2 17.9 -17.4 20.2 80 98 A T T 45S- 0 0 73 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.558 95.2-131.3-105.5 -14.3 18.1 -16.8 24.0 81 99 A L T ><5 + 0 0 35 -4,-2.5 3,-0.7 1,-0.2 2,-0.2 0.705 50.1 158.7 67.0 21.5 20.0 -13.5 23.9 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.9 1,-0.3 -1,-0.2 -0.555 64.6 18.7 -74.6 141.0 22.4 -14.9 26.5 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.918 78.9 176.8 63.7 44.3 25.7 -13.0 26.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.514 34.3 115.3 -81.9 75.5 24.2 -10.1 24.7 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.999 37.0 178.6-146.4 142.8 27.3 -7.9 24.8 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.996 18.0-141.9-146.1 146.2 29.6 -6.5 22.1 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.4 -2,-0.3 2,-0.5 -0.900 13.3-161.0-110.0 138.0 32.7 -4.3 22.2 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.6 -2,-0.4 2,-0.5 -0.980 5.0-153.0-123.0 125.5 33.3 -1.7 19.5 89 107 A K E -MO 34 69C 45 -20,-2.7 -21,-3.3 -2,-0.5 -20,-1.3 -0.844 19.3-131.1 -97.1 128.8 36.8 -0.2 18.8 90 108 A L E - 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