==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-99 1C5V . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,R.MACKMAN,C.LUONG,K.RADIKA,A.MARTELLI, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9197.0 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 . 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 . 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 . 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 . 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 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 132.4 51.8 14.6 49.3 2 17 A V B +A 171 0A 7 169,-2.6 169,-1.7 1,-0.2 123,-0.1 -0.900 360.0 5.4-112.3 137.7 54.2 14.4 52.3 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.661 102.0 117.8 67.2 23.2 55.9 11.2 53.3 4 19 A G - 0 0 31 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.236 57.3-115.7-103.5-164.7 54.6 9.3 50.3 5 20 A Y E -B 137 0B 94 132,-2.9 132,-3.2 -3,-0.1 2,-0.5 -0.855 33.2 -83.3-132.1 169.1 56.4 7.6 47.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.600 36.2-151.7 -72.5 120.2 56.8 7.9 43.7 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.5 2,-0.1 0.924 37.1-116.5 -57.2 -49.7 53.7 6.0 42.3 8 23 A G > - 0 0 26 127,-0.5 3,-1.5 -3,-0.1 4,-0.3 -0.123 48.2 -50.8 117.1 147.6 55.5 5.1 39.1 9 24 A A T 3 S- 0 0 59 1,-0.2 44,-0.1 -2,-0.1 43,-0.0 -0.244 119.1 -13.9 -55.1 131.3 54.5 6.3 35.6 10 25 A N T 3 S+ 0 0 33 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.677 89.7 128.2 45.2 37.2 50.8 5.8 34.8 11 26 A T S < S+ 0 0 79 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.512 77.3 49.1 -90.7 -6.2 50.1 3.4 37.8 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.637 75.6 173.8-127.2 72.3 47.1 5.6 38.8 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-0.9 0, 0.0 38,-0.4 0.668 71.5 57.9 -67.1 -17.6 45.6 5.8 35.3 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.442 80.4 114.3 -89.4 -1.7 42.4 7.7 36.5 15 30 A Q E < -J 28 0C 6 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.572 47.1-169.7 -77.6 132.0 44.5 10.6 37.9 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.825 16.7-147.1-118.6 154.6 44.0 13.9 36.1 17 32 A S E -JK 26 49C 2 32,-1.9 32,-2.9 -2,-0.3 2,-0.5 -0.987 15.3-145.6-122.4 131.9 46.0 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.5 6,-2.2 -2,-0.4 7,-1.1 -0.875 22.9-168.5 -99.7 129.5 43.8 20.4 35.9 19 34 A N E +JK 23 47C 22 28,-2.9 28,-2.0 -2,-0.5 4,-0.2 -0.981 31.2 170.2-126.0 132.5 46.0 23.1 34.1 20 37 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.358 97.0 -45.9-130.7 46.3 45.3 26.7 33.5 21 38 A G S S+ 0 0 67 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.262 140.6 26.6 109.1 -12.2 48.8 27.4 32.3 22 39 A Y S S- 0 0 131 -4,-0.1 -2,-2.2 0, 0.0 2,-0.3 -0.902 103.5 -80.7-166.8 163.2 50.3 25.4 35.2 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.598 51.7 157.4 -76.7 131.7 49.0 22.6 37.3 24 41 A F E + 0 0 33 -6,-2.2 2,-0.3 1,-0.5 151,-0.2 0.524 60.1 9.6-132.4 -14.9 46.7 23.8 40.0 25 42 A b E -J 18 0C 5 -7,-1.1 -7,-3.5 151,-0.1 -1,-0.5 -0.977 59.3-130.9-162.5 161.3 44.5 20.8 41.0 26 43 A G E +J 17 0C 2 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.454 26.3 172.8-105.1 174.6 44.1 17.1 40.5 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.930 27.1-109.9-169.3 179.3 40.9 15.2 39.6 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.1 -2,-0.3 2,-0.5 -0.990 20.1-129.8-130.0 139.3 39.6 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.0 74,-2.0 -2,-0.4 6,-0.3 -0.748 24.2 178.1 -85.7 124.2 38.3 10.5 35.3 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.644 69.2 -19.9-103.3 -13.4 34.9 8.7 35.9 31 48 A N E > S- L 0 34C 50 3,-1.1 3,-1.1 70,-0.1 -1,-0.4 -0.886 89.5 -72.3-174.7 170.3 34.2 7.9 32.2 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.4 1,-0.2 60,-0.1 0.650 128.7 35.2 -51.0 -26.7 35.5 9.2 28.8 33 50 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.533 110.2 62.9-108.2 -9.5 33.6 12.5 29.0 34 51 A W E < -LM 31 89C 4 -3,-1.1 -4,-2.6 55,-0.2 -3,-1.1 -0.958 45.1-175.8-132.8 148.2 33.7 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.963 14.0-151.0-129.6 141.6 36.0 14.3 35.6 36 53 A V E +LM 28 87C 1 -8,-2.1 -8,-2.3 -2,-0.3 2,-0.2 -0.921 30.4 148.7-114.0 140.3 35.2 14.9 39.3 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.1 -2,-0.4 2,-0.3 -0.742 51.8 -64.1-149.3-164.9 37.4 17.3 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.679 33.3-131.6 -95.5 147.6 36.9 19.7 44.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.839 107.0 65.6 -67.2 -29.1 34.7 22.7 43.9 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.651 93.3 62.8 -69.2 -6.3 37.4 24.9 45.5 41 58 A b G < S+ 0 0 3 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.438 75.5 135.3 -93.0 -1.1 39.4 24.1 42.3 42 59 A Y < + 0 0 126 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.243 21.4 150.3 -54.2 134.3 36.8 25.9 40.2 43 60 A K - 0 0 72 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.929 46.2-117.4-154.4 162.2 38.4 28.2 37.5 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.725 95.8 38.7-101.1 155.6 37.3 29.3 34.1 45 62 A G S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.973 76.0 168.9 70.6 54.5 39.7 28.1 31.3 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.809 21.2-165.1-103.7 140.1 40.7 24.6 32.4 47 64 A Q E -KN 19 66C 51 -28,-2.0 -28,-2.9 -2,-0.4 2,-0.5 -0.985 18.0-141.1-122.1 132.5 42.6 22.1 30.3 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.813 11.1-156.5 -98.2 130.1 42.5 18.5 31.6 49 66 A R E -KN 17 64C 51 -32,-2.9 -32,-1.9 -2,-0.5 2,-0.2 -0.959 11.7-175.4-118.5 121.0 45.6 16.5 31.3 50 67 A L E + N 0 63C 3 13,-2.6 13,-1.4 -2,-0.6 -34,-0.1 -0.682 62.1 30.4-106.4 156.4 45.3 12.7 31.2 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.4 2,-0.2 0.774 83.2 151.9 62.6 31.5 48.2 10.1 31.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.2 -1,-0.2 -0.576 21.8 151.9 -91.8 154.8 50.6 12.3 33.0 53 71 A D S S+ 0 0 15 1,-0.5 2,-0.6 4,-0.2 82,-0.3 0.220 80.5 31.7-140.7 -75.8 53.4 11.3 35.2 54 72 A N S > S- 0 0 27 3,-0.2 3,-0.9 80,-0.2 -1,-0.5 -0.776 74.0-158.0 -85.9 121.2 56.0 14.1 35.0 55 73 A I T 3 S+ 0 0 31 78,-2.8 -1,-0.1 -2,-0.6 79,-0.1 0.514 87.2 50.9 -82.5 1.5 53.9 17.3 34.4 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.379 104.5 60.9-112.7 2.3 56.7 19.3 32.9 57 75 A V S < S- 0 0 72 -3,-0.9 2,-1.2 76,-0.2 -4,-0.2 -0.971 76.0-134.2-133.4 120.9 57.8 16.7 30.3 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.547 30.9 175.5 -73.3 100.8 55.7 15.4 27.4 59 77 A E - 0 0 95 -2,-1.2 -1,-0.2 -5,-0.3 -7,-0.0 0.468 51.6 -99.4 -87.3 -2.4 56.6 11.7 27.9 60 78 A G S S+ 0 0 56 -3,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.196 103.4 81.4 107.7 -18.5 54.2 10.4 25.3 61 79 A N + 0 0 52 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.264 65.4 116.2-108.3 16.9 51.1 9.1 27.0 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.487 41.4-169.9 -87.6 155.7 49.3 12.4 27.6 63 81 A Q E -N 50 0C 37 -13,-1.4 -13,-2.6 -2,-0.1 2,-0.6 -0.981 10.0-162.3-137.0 125.0 46.0 13.6 26.2 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.977 17.6 173.8-114.5 114.9 45.3 17.3 26.9 65 83 A I E -N 48 0C 19 -17,-2.6 -17,-3.0 -2,-0.6 2,-0.1 -0.989 27.3-126.0-127.0 133.3 41.5 18.1 26.5 66 84 A S E -N 47 0C 54 -2,-0.4 25,-3.0 -19,-0.2 26,-0.4 -0.417 27.4-112.3 -76.2 156.5 39.8 21.3 27.2 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.608 20.5-166.4 -84.6 143.3 36.8 21.4 29.5 68 86 A S E S- 0 0 66 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.777 73.5 -1.8 -98.5 -35.8 33.4 22.3 27.8 69 87 A K E -O 89 0C 87 20,-1.0 20,-2.7 2,-0.0 -1,-0.4 -0.982 56.4-153.0-154.6 155.8 31.6 22.9 31.1 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.962 8.8-164.6-128.8 142.4 32.1 22.8 34.9 71 89 A I E -O 87 0C 34 16,-2.7 16,-2.5 -2,-0.3 2,-0.3 -0.977 5.8-158.4-133.7 116.1 29.3 22.2 37.5 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.708 41.4 -88.7 -92.0 145.7 30.0 23.0 41.1 73 91 A H > - 0 0 21 12,-1.9 3,-1.9 -2,-0.3 -1,-0.1 -0.280 35.7-122.2 -52.2 133.9 27.7 21.3 43.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.781 110.1 41.6 -48.6 -32.3 24.5 23.3 44.2 75 93 A S T 3 S+ 0 0 70 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.270 76.3 142.3-104.7 13.9 25.2 23.5 47.9 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.341 32.8-163.3 -57.6 134.5 29.0 24.1 47.9 77 95 A N B >> -P 82 0D 64 5,-1.8 4,-2.5 1,-0.1 5,-0.5 -0.954 6.4-163.0-117.4 104.2 29.8 26.5 50.8 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.691 86.7 60.4 -67.7 -11.5 33.3 28.0 50.2 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.874 122.4 17.6 -83.2 -38.6 33.5 29.1 53.8 80 98 A T T 45S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.1 0.599 96.8-129.9-105.3 -14.7 33.1 25.7 55.4 81 99 A L T ><5 + 0 0 29 -4,-2.5 3,-0.7 1,-0.3 2,-0.2 0.634 50.1 158.5 73.0 20.9 34.0 23.6 52.3 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-1.8 1,-0.2 -1,-0.3 -0.526 65.6 17.9 -74.7 137.6 30.9 21.5 52.8 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.7 -7,-0.2 -1,-0.2 0.945 80.4 176.6 65.9 50.6 29.9 19.8 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.542 32.9 110.8 -86.4 73.4 33.3 20.3 48.0 85 103 A I + 0 0 0 -2,-1.7 -12,-1.9 -47,-0.3 2,-0.3 -0.990 37.1 177.8-145.6 145.9 32.8 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.3 -2,-0.3 2,-0.4 -0.976 19.6-136.9-146.9 155.3 32.5 19.6 41.0 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.7 -2,-0.3 2,-0.4 -0.901 12.6-162.9-116.5 143.9 32.1 17.9 37.7 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.4 -0.999 6.7-153.0-129.4 123.3 34.1 18.8 34.5 89 107 A K E -MO 34 69C 40 -20,-2.7 -21,-2.7 -2,-0.4 -20,-1.0 -0.795 18.4-128.6 -99.8 143.3 32.9 17.7 31.1 90 108 A L E - 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