==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 24-AUG-99 1QL8 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 64.1 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 . 71 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 7.6 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 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 . 4 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 0 0, 0.0 3,-1.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 107.1 49.4 56.0 69.9 2 17 A V B 3 +A 171 0A 7 169,-2.4 169,-2.4 1,-0.2 123,-0.1 -0.704 360.0 10.2 -84.7 126.5 51.8 53.2 68.8 3 18 A G T 3 S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 167,-0.1 0.637 103.4 131.8 81.0 16.0 51.0 52.1 65.2 4 19 A G < - 0 0 31 -3,-1.0 2,-0.3 167,-0.1 134,-0.2 -0.112 47.6-130.8 -90.8-170.4 48.6 55.0 64.6 5 20 A Y E -B 137 0B 101 132,-2.4 132,-3.4 -3,-0.1 2,-0.4 -0.913 37.4 -83.5-138.2 160.3 48.1 57.6 61.9 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.3 130,-0.2 129,-0.0 -0.549 34.5-150.1 -68.1 122.5 47.6 61.3 61.8 7 22 A a - 0 0 16 128,-2.9 -1,-0.2 -2,-0.4 129,-0.1 0.908 38.4-119.4 -59.0 -43.8 43.9 61.9 62.5 8 23 A G > - 0 0 24 127,-0.6 3,-1.8 45,-0.1 4,-0.3 0.208 47.1 -47.1 103.9 131.0 43.9 65.1 60.5 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 0.097 119.2 -16.8 -33.7 122.0 43.0 68.5 61.9 10 25 A N T 3 S+ 0 0 24 2,-0.2 -1,-0.3 1,-0.1 43,-0.1 0.726 91.9 127.2 48.4 33.3 39.8 68.6 64.0 11 26 A T S < S+ 0 0 83 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.616 77.6 46.5 -87.2 -16.7 38.6 65.3 62.7 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-1.3 1,-0.1 -1,-0.3 -0.724 73.7 167.9-123.2 74.4 38.2 64.2 66.4 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-0.7 0, 0.0 38,-0.4 0.725 70.7 59.1 -61.8 -28.1 36.5 67.4 67.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-1.6 88,-0.1 2,-0.4 0.547 81.2 106.9 -79.6 -10.5 35.5 65.8 71.1 15 30 A Q E < -J 28 0C 4 -3,-1.3 36,-0.4 13,-0.2 37,-0.4 -0.588 50.3-176.6 -75.1 126.1 39.1 65.1 71.9 16 31 A V E -J 27 0C 2 11,-2.2 11,-0.9 -2,-0.4 2,-0.5 -0.796 21.4-130.6-120.6 162.9 40.5 67.5 74.6 17 32 A S E -JK 26 49C 2 32,-2.1 32,-3.0 -2,-0.3 2,-1.0 -0.973 10.9-144.0-118.1 123.0 44.0 68.0 76.2 18 33 A L E -JK 25 48C 0 7,-2.6 6,-2.0 -2,-0.5 7,-1.1 -0.789 30.8-170.8 -87.4 104.1 44.4 68.1 79.9 19 34 A N E +JK 23 47C 10 28,-3.0 28,-2.7 -2,-1.0 4,-0.2 -0.715 32.1 159.0-101.1 149.1 47.1 70.7 80.3 20 37 A S S S- 0 0 33 2,-1.6 2,-0.1 -2,-0.3 3,-0.1 -0.192 92.7 -47.6-158.7 48.2 49.1 71.7 83.4 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.483 137.8 25.3 112.9 -50.9 52.2 73.3 81.9 22 39 A Y S S- 0 0 142 -2,-0.1 -2,-1.6 -4,-0.1 2,-0.5 -0.781 103.3 -84.6-133.0 166.8 52.6 70.4 79.5 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.708 51.6 161.7 -77.7 124.1 50.1 67.9 78.1 24 41 A F E + 0 0 26 -6,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.736 58.8 4.3-113.4 -32.0 49.7 65.1 80.6 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.6 151,-0.1 -1,-0.3 -0.932 61.4-128.7-148.5 166.0 46.4 63.3 79.7 26 43 A G E +J 17 0C 2 151,-3.1 12,-0.3 -2,-0.3 2,-0.3 -0.347 26.3 173.8-104.3-170.2 43.6 63.3 77.1 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-2.2 -2,-0.1 2,-0.3 -0.978 25.2-107.8 178.3 173.7 39.9 63.4 77.5 28 45 A S E -JL 15 36C 2 8,-2.5 8,-2.8 -2,-0.3 2,-0.6 -0.934 17.7-134.2-124.8 146.3 36.5 63.7 75.9 29 46 A L E + L 0 35C 0 -15,-1.6 74,-2.6 -2,-0.3 6,-0.2 -0.895 24.2 175.2 -96.8 117.5 33.9 66.5 75.8 30 47 A I E - 0 0 20 4,-2.0 2,-0.3 -2,-0.6 -1,-0.2 0.700 66.6 -10.0 -94.4 -24.7 30.5 64.9 76.5 31 48 A N E > S- L 0 34C 48 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.964 91.0 -69.5-162.5 171.2 28.6 68.2 76.5 32 49 A S T 3 S+ 0 0 50 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.714 128.1 17.9 -36.4 -40.4 29.0 72.0 76.5 33 50 A Q T 3 S+ 0 0 81 60,-0.2 57,-3.0 58,-0.0 2,-0.4 0.439 109.6 79.3-119.7 -2.3 30.5 72.2 80.0 34 51 A W E < -LM 31 89C 7 -3,-0.9 -4,-2.0 55,-0.2 -3,-1.3 -0.933 47.4-171.3-120.9 137.8 31.6 68.7 81.0 35 52 A V E -LM 29 88C 0 53,-2.9 53,-3.1 -2,-0.4 2,-0.4 -0.945 12.4-149.2-119.8 137.5 34.8 66.7 80.1 36 53 A V E +LM 28 87C 2 -8,-2.8 -8,-2.5 -2,-0.4 51,-0.2 -0.884 30.0 144.1-110.2 139.3 35.3 63.0 81.0 37 54 A S E - M 0 86C 0 49,-3.1 49,-2.3 -2,-0.4 2,-0.4 -0.750 49.2 -61.3-149.3-163.9 38.8 61.5 81.7 38 55 A A > - 0 0 0 -12,-0.3 3,-2.2 47,-0.3 47,-0.3 -0.792 32.3-134.4 -97.1 138.9 40.6 58.9 83.8 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.794 106.5 63.6 -60.5 -26.2 40.7 59.1 87.6 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 44,-0.1 44,-0.0 0.555 94.5 61.6 -76.3 -4.6 44.5 58.5 87.4 41 58 A b G < S+ 0 0 5 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.318 74.8 135.7-100.1 4.6 44.9 61.7 85.5 42 59 A Y < + 0 0 128 -3,-1.4 2,-0.3 -4,-0.1 -3,-0.0 -0.372 21.8 156.4 -60.1 125.7 43.5 63.7 88.5 43 60 A K - 0 0 66 -2,-0.2 2,-0.5 0, 0.0 3,-0.2 -0.964 43.9-113.1-148.2 148.1 45.6 66.8 89.2 44 61 A S S S+ 0 0 105 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.786 96.8 25.7 -88.5 132.0 44.6 70.0 91.0 45 62 A G S S+ 0 0 64 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.979 77.7 177.1 79.6 71.1 44.6 73.0 88.6 46 63 A I - 0 0 7 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.789 21.4-151.0-106.6 148.1 43.9 71.6 85.2 47 64 A Q E -KN 19 66C 46 -28,-2.7 -28,-3.0 -2,-0.3 2,-0.7 -0.985 14.0-144.9-119.6 115.9 43.5 73.7 82.0 48 65 A V E -KN 18 65C 0 17,-2.6 17,-2.6 -2,-0.5 2,-0.6 -0.756 12.8-158.2 -86.6 113.0 41.3 72.0 79.4 49 66 A R E -KN 17 64C 57 -32,-3.0 -32,-2.1 -2,-0.7 3,-0.3 -0.850 13.7-176.1 -96.8 118.0 42.5 72.8 75.9 50 67 A L E + N 0 63C 2 13,-3.7 13,-1.9 -2,-0.6 -34,-0.1 -0.717 58.1 32.8-111.0 159.5 39.9 72.4 73.2 51 69 A G S S+ 0 0 2 -36,-0.4 2,-0.4 -38,-0.4 10,-0.2 0.768 82.3 150.3 68.2 26.7 40.1 72.7 69.4 52 70 A E + 0 0 10 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.2 -0.755 19.5 149.5 -98.0 135.6 43.7 71.4 69.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.4 82,-0.3 0.547 83.0 33.5-120.1 -61.0 45.2 69.4 66.5 54 72 A N S S- 0 0 31 3,-0.2 3,-0.5 80,-0.2 -1,-0.4 -0.905 72.9-165.8-100.0 108.9 48.9 70.4 66.8 55 73 A I S S+ 0 0 32 78,-2.9 -1,-0.2 -2,-0.7 79,-0.1 0.836 84.5 54.9 -65.4 -31.0 49.4 70.9 70.6 56 74 A N S S+ 0 0 106 77,-0.4 2,-0.4 -3,-0.1 -1,-0.2 0.636 104.0 58.3 -79.7 -15.7 52.7 72.7 70.1 57 75 A V S S- 0 0 82 -3,-0.5 2,-1.8 76,-0.2 -4,-0.3 -0.960 79.7-129.8-121.0 131.2 51.4 75.4 67.7 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.568 28.9 178.3 -78.0 85.0 48.6 77.9 68.5 59 77 A E - 0 0 60 -2,-1.8 -1,-0.2 -5,-0.4 -4,-0.0 0.103 45.5-116.3 -75.7 19.0 46.5 77.3 65.3 60 78 A G S S+ 0 0 65 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.319 100.0 90.9 64.9 -9.4 43.9 79.8 66.5 61 79 A N + 0 0 59 -10,-0.2 -1,-0.2 2,-0.0 -9,-0.1 0.430 65.2 112.5 -93.0 -1.4 41.1 77.2 66.8 62 80 A E - 0 0 25 -13,-0.0 2,-0.3 2,-0.0 -11,-0.2 -0.242 46.7-168.0 -73.4 159.3 42.0 76.5 70.4 63 81 A Q E -N 50 0C 35 -13,-1.9 -13,-3.7 2,-0.0 2,-0.6 -0.961 5.7-161.8-146.5 119.8 39.9 77.2 73.5 64 82 A F E +N 49 0C 77 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.913 14.8 174.8-114.1 105.6 41.6 77.0 76.9 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-2.6 -2,-0.6 -2,-0.0 -0.946 26.5-128.2-114.6 125.5 39.0 76.7 79.7 66 84 A S E -N 47 0C 56 -2,-0.5 25,-3.1 -19,-0.2 2,-0.4 -0.275 28.1-107.3 -67.0 153.3 40.1 76.1 83.3 67 85 A A E -O 90 0C 27 -21,-2.2 23,-0.2 23,-0.2 -21,-0.1 -0.697 29.8-176.5 -84.1 131.6 38.6 73.3 85.3 68 86 A S E S+ 0 0 67 21,-3.2 2,-0.3 -2,-0.4 22,-0.2 0.749 71.8 17.9 -97.4 -30.5 36.1 74.5 88.0 69 87 A K E -O 89 0C 84 20,-1.1 20,-3.0 2,-0.0 2,-0.5 -0.999 58.1-162.7-144.2 142.5 35.4 71.0 89.5 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.996 9.9-172.8-126.2 120.8 37.1 67.6 89.4 71 89 A I E -O 87 0C 36 16,-3.4 16,-2.5 -2,-0.5 2,-0.2 -0.894 3.3-169.6-121.6 98.1 34.9 64.6 90.4 72 90 A V E -O 86 0C 42 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.606 38.5 -92.8 -83.9 147.0 36.8 61.3 90.7 73 91 A H > - 0 0 24 12,-1.9 3,-1.3 10,-0.3 -1,-0.1 -0.357 30.4-132.3 -59.3 137.0 34.8 58.1 91.1 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.842 104.5 48.0 -61.1 -36.4 34.4 57.2 94.8 75 93 A S T 3 S+ 0 0 74 2,-0.1 2,-0.1 8,-0.0 7,-0.1 0.284 81.0 137.5 -89.2 11.0 35.4 53.6 94.4 76 94 A Y < - 0 0 57 -3,-1.3 2,-0.5 7,-0.1 7,-0.2 -0.368 36.1-163.5 -62.7 130.8 38.5 54.4 92.4 77 95 A N B >> -P 82 0D 57 5,-2.1 4,-2.9 -2,-0.1 5,-0.8 -0.962 12.7-163.1-120.2 116.8 41.5 52.3 93.3 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.791 90.8 55.8 -67.0 -31.6 44.9 53.6 92.2 79 97 A N T 45S+ 0 0 144 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.971 123.8 23.2 -65.2 -52.9 46.5 50.2 92.9 80 98 A T T 45S- 0 0 69 2,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.703 95.4-134.4 -86.7 -21.6 44.1 48.3 90.6 81 99 A L T ><5 + 0 0 36 -4,-2.9 3,-0.7 1,-0.3 2,-0.4 0.797 50.6 157.0 66.9 28.6 43.1 51.2 88.4 82 100 A N B 3 < +P 77 0D 33 -5,-0.8 -5,-2.1 1,-0.3 -1,-0.3 -0.710 62.5 18.1 -85.4 137.2 39.6 50.0 88.9 83 101 A N T 3 S+ 0 0 15 -2,-0.4 2,-2.3 -7,-0.2 -10,-0.3 0.899 78.2 173.9 65.9 43.8 36.9 52.7 88.4 84 102 A D < + 0 0 0 -3,-0.7 2,-0.4 75,-0.2 -1,-0.2 -0.368 32.4 120.9 -81.1 60.5 39.5 54.8 86.5 85 103 A I + 0 0 0 -2,-2.3 -12,-1.9 -47,-0.3 2,-0.3 -0.968 34.3 174.7-130.2 141.3 36.9 57.4 85.6 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-3.1 -2,-0.4 2,-0.4 -0.995 17.9-147.8-146.6 142.1 36.8 61.1 86.4 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.4 -2,-0.3 2,-0.4 -0.917 11.8-165.8-112.3 136.6 34.5 64.0 85.4 88 106 A I E -MO 35 70C 0 -53,-3.1 -53,-2.9 -2,-0.4 2,-0.5 -0.985 10.1-146.2-123.8 131.4 35.8 67.6 85.0 89 107 A K E -MO 34 69C 39 -20,-3.0 -21,-3.2 -2,-0.4 -20,-1.1 -0.864 19.4-126.3 -99.8 131.7 33.6 70.6 84.8 90 108 A L E - 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