==== 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 1C5P . 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) . 9178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 1 0.4 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 2 1 6 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,-0.3 0.000 360.0 360.0 360.0 130.1 51.7 14.5 49.1 2 17 A V B +A 171 0A 8 169,-2.5 169,-1.8 1,-0.2 123,-0.1 -0.899 360.0 8.3-108.5 133.3 54.1 14.4 52.2 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.734 102.3 119.6 70.8 27.7 55.8 11.1 53.2 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.285 56.3-116.9-108.0-166.9 54.6 9.3 50.1 5 20 A Y E -B 137 0B 94 132,-2.5 132,-2.8 -2,-0.1 2,-0.4 -0.878 33.6 -86.9-132.6 164.7 56.4 7.5 47.2 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.577 37.2-148.9 -71.9 124.8 56.7 7.9 43.5 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.4 2,-0.1 0.919 35.4-112.0 -60.5 -50.1 53.8 6.0 42.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.114 48.8 -56.4 119.7 143.8 55.4 4.9 38.9 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.285 118.0 -11.8 -57.6 127.0 54.4 6.2 35.4 10 25 A N T 3 S+ 0 0 32 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.736 90.4 127.2 52.9 35.6 50.7 5.6 34.6 11 26 A T S < S+ 0 0 78 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.552 76.4 48.6 -90.9 -8.8 50.1 3.3 37.6 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.682 75.1 174.3-125.8 72.1 47.1 5.6 38.6 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.659 71.2 57.3 -63.5 -18.4 45.5 5.7 35.2 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.452 80.5 115.4 -90.7 -2.8 42.4 7.7 36.4 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.527 46.3-169.2 -75.1 134.7 44.4 10.5 37.8 16 31 A V E -JK 27 50C 0 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.873 16.4-148.5-121.8 150.3 44.0 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.8 -2,-0.3 2,-0.5 -0.985 15.4-146.0-119.7 130.0 45.9 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.1 -0.864 22.7-169.1 -99.8 126.6 43.8 20.4 35.9 19 34 A N E +JK 23 47C 21 28,-2.9 28,-1.9 -2,-0.5 4,-0.2 -0.957 31.9 171.1-122.8 133.2 45.9 23.0 34.1 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.305 98.1 -45.2-132.0 46.2 45.2 26.7 33.5 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.270 140.7 27.0 107.7 -6.2 48.8 27.4 32.3 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.899 102.5 -80.9-171.4 160.6 50.2 25.4 35.1 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.568 50.8 157.0 -74.4 130.0 48.9 22.5 37.3 24 41 A F E + 0 0 31 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.527 60.6 9.1-130.9 -18.1 46.7 23.8 40.1 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.986 60.5-127.1-159.0 163.3 44.5 20.7 41.0 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.427 26.8 177.0-102.9 178.4 44.0 17.0 40.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.950 24.7-114.7-168.7 175.3 40.8 15.2 39.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.6 -0.987 19.2-129.9-128.9 138.3 39.5 11.7 38.6 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.766 25.6 176.0 -86.6 122.2 38.3 10.4 35.3 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.604 69.0 -16.9-102.7 -16.4 34.9 8.7 35.8 31 48 A N E > S- L 0 34C 49 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.928 89.7 -73.7-170.5 173.5 34.1 7.9 32.1 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.680 128.5 33.3 -55.9 -21.7 35.4 9.1 28.7 33 50 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.543 109.6 65.4-112.3 -8.4 33.7 12.5 29.0 34 51 A W E < -LM 31 89C 4 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.1 -0.950 45.9-173.6-130.2 145.7 33.6 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.943 13.3-150.5-124.5 143.1 36.0 14.3 35.5 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.941 30.4 149.5-115.6 138.8 35.2 14.8 39.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.747 50.7 -67.2-145.6-165.9 37.3 17.2 41.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.732 33.0-131.9 -96.2 143.4 36.8 19.6 44.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.823 107.0 64.3 -63.6 -29.4 34.6 22.6 43.9 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.548 93.2 64.7 -73.6 -1.6 37.3 24.8 45.5 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.295 76.5 136.7 -96.2 4.4 39.4 24.0 42.4 42 59 A Y < + 0 0 124 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.337 19.6 149.0 -60.3 132.3 36.9 25.9 40.2 43 60 A K - 0 0 57 -2,-0.1 2,-0.3 0, 0.0 3,-0.2 -0.942 46.6-116.2-156.9 156.3 38.4 28.2 37.6 44 61 A S S S+ 0 0 93 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.742 95.6 38.4 -94.8 144.9 37.3 29.3 34.2 45 62 A G S S+ 0 0 67 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.974 75.0 170.3 79.9 54.5 39.6 28.1 31.4 46 63 A I - 0 0 9 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.814 20.6-166.1-104.1 140.1 40.6 24.6 32.4 47 64 A Q E -KN 19 66C 48 -28,-1.9 -28,-2.9 -2,-0.4 2,-0.5 -0.980 18.5-141.4-120.9 133.1 42.4 22.1 30.2 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.848 11.1-157.0 -99.7 130.3 42.4 18.5 31.6 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.959 12.4-175.3-117.7 118.0 45.5 16.6 31.2 50 67 A L E +KN 16 63C 3 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.684 60.6 30.5-105.5 157.2 45.3 12.8 31.2 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.2 -38,-0.3 2,-0.2 0.732 82.6 152.7 64.6 28.0 48.0 10.1 31.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.562 23.1 153.3 -89.4 150.4 50.5 12.3 32.9 53 71 A D S S+ 0 0 17 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.276 82.6 29.2-133.9 -77.2 53.4 11.2 35.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 3,-0.2 -1,-0.5 -0.765 73.0-161.1 -85.2 119.3 56.0 14.1 34.8 55 73 A I T 3 S+ 0 0 31 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.515 87.2 54.1 -82.2 -0.2 53.8 17.2 34.2 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.352 105.4 58.9-109.4 -0.2 56.7 19.2 32.9 57 75 A V S < S- 0 0 71 -3,-0.9 2,-1.0 76,-0.2 -4,-0.3 -0.998 75.3-136.4-131.6 131.0 57.7 16.7 30.2 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.747 30.1 173.9 -85.8 107.8 55.6 15.4 27.3 59 77 A E - 0 0 100 -2,-1.0 -1,-0.2 -5,-0.2 -7,-0.0 0.442 53.2 -98.2 -96.9 -0.8 56.5 11.7 27.7 60 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.090 104.8 82.4 107.8 -23.0 54.1 10.5 25.0 61 79 A N + 0 0 49 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.351 65.3 117.3-100.9 13.6 51.0 9.2 26.9 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.432 40.7-171.0 -84.3 154.1 49.3 12.5 27.4 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.982 9.4-163.6-137.9 121.7 45.9 13.7 26.2 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.964 17.3 170.8-111.9 115.0 45.2 17.4 26.8 65 83 A I E -N 48 0C 20 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.989 27.8-127.7-128.9 135.7 41.5 18.2 26.4 66 84 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.3 26,-0.4 -0.444 27.4-110.7 -80.4 159.2 39.7 21.4 27.3 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.650 19.8-165.7 -87.3 142.7 36.7 21.4 29.5 68 86 A S E S- 0 0 66 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.734 74.2 -2.2 -97.2 -31.2 33.3 22.3 27.8 69 87 A K E -O 89 0C 84 20,-1.1 20,-2.8 2,-0.0 -1,-0.4 -0.985 56.2-151.4-159.9 154.6 31.6 22.9 31.1 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.974 7.5-165.3-129.0 141.4 32.0 22.8 34.8 71 89 A I E -O 87 0C 35 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.953 5.7-160.3-131.4 109.3 29.3 22.2 37.4 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.647 43.2 -86.8 -86.2 145.7 30.0 23.0 41.1 73 91 A H > - 0 0 20 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.251 35.6-123.0 -52.1 136.1 27.7 21.2 43.5 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.756 109.9 41.5 -55.7 -27.4 24.5 23.2 44.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.164 77.8 141.8-108.7 20.3 25.1 23.4 47.9 76 94 A Y < - 0 0 56 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.380 33.6-161.4 -62.1 133.3 28.9 24.0 47.9 77 95 A N B >> -P 82 0D 69 5,-2.1 4,-2.1 1,-0.1 5,-0.5 -0.961 7.8-161.6-118.8 112.4 29.8 26.4 50.8 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.657 87.3 57.1 -72.1 -12.8 33.2 28.0 50.3 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.874 123.1 20.8 -85.5 -37.3 33.5 29.0 53.9 80 98 A T T 45S- 0 0 70 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.563 95.7-130.8-102.4 -15.6 33.1 25.5 55.4 81 99 A L T ><5 + 0 0 30 -4,-2.1 3,-0.7 1,-0.3 2,-0.2 0.668 50.1 159.2 69.9 23.7 34.0 23.5 52.3 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.3 -0.556 65.2 17.2 -76.0 139.5 30.9 21.5 52.8 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.906 80.8 178.0 64.4 47.4 29.9 19.7 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.491 33.3 111.2 -83.0 76.0 33.3 20.2 48.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.995 36.9 177.1-147.9 146.8 32.8 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.986 19.4-137.2-149.9 152.9 32.5 19.6 41.0 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.905 12.7-162.1-114.7 140.6 32.1 17.8 37.6 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.995 7.0-151.1-125.8 127.0 34.0 18.8 34.5 89 107 A K E -MO 34 69C 39 -20,-2.8 -21,-2.9 -2,-0.4 -20,-1.1 -0.827 18.5-130.1-100.8 138.3 32.8 17.7 31.0 90 108 A L E - 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