==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-94 1TNL . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.KURINOV,R.W.HARRISON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.3 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 . 19 8.5 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 . 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.4 35.6 20.5 19.1 2 17 A V B +A 171 0A 7 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.817 360.0 4.0 -98.5 132.5 37.8 19.8 16.1 3 18 A G S S+ 0 0 36 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.777 101.8 122.6 69.2 26.6 39.5 22.7 14.2 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.149 56.9-113.8 -99.9-162.9 38.3 25.3 16.7 5 20 A Y E -B 137 0B 102 132,-2.5 132,-3.2 -2,-0.1 2,-0.4 -0.882 36.2 -89.0-132.8 161.2 40.1 27.9 18.9 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.661 36.9-147.4 -69.5 121.3 40.4 28.3 22.7 7 22 A a - 0 0 17 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.919 35.4-112.7 -59.4 -42.2 37.4 30.4 23.8 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.099 47.4 -57.4 109.9 139.7 39.1 32.3 26.6 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.282 118.7 -12.4 -57.1 119.2 38.2 31.9 30.3 10 25 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.708 91.4 126.9 62.6 28.0 34.5 32.6 30.9 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.557 74.9 50.5 -87.4 -6.5 33.9 34.2 27.5 12 27 A V S > S+ 0 0 10 -4,-0.3 3,-2.1 87,-0.1 -1,-0.2 -0.690 75.1 176.7-124.4 78.3 30.9 31.8 27.0 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.659 71.8 55.0 -74.4 -15.2 29.2 32.4 30.3 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.434 80.9 112.7 -87.0 -7.3 26.1 30.2 29.7 15 30 A Q E < -J 28 0C 9 -3,-2.1 37,-0.4 13,-0.2 36,-0.4 -0.552 47.2-171.8 -73.2 125.9 28.2 27.1 29.0 16 31 A V E -J 27 0C 0 11,-2.6 11,-1.2 -2,-0.3 2,-0.5 -0.860 17.9-141.3-114.7 157.7 27.9 24.3 31.6 17 32 A S E -JK 26 49C 1 32,-2.7 32,-2.9 -2,-0.3 2,-0.6 -0.954 14.6-143.3-111.3 128.8 29.7 21.0 32.2 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.8 -2,-0.5 7,-1.1 -0.879 24.1-169.2 -93.0 126.4 27.7 18.1 33.4 19 34 A N E +JK 23 47C 21 28,-2.6 28,-2.6 -2,-0.6 4,-0.2 -0.941 31.7 167.8-123.4 127.4 29.7 16.0 35.8 20 37 A S S S- 0 0 33 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.345 97.3 -48.0-124.8 49.7 29.1 12.6 37.3 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.205 140.5 31.1 98.9 -11.9 32.7 12.2 38.7 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.945 102.9 -84.4-163.8 153.0 34.1 13.3 35.4 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.574 52.1 158.2 -59.7 125.1 32.9 15.7 32.6 24 41 A F E + 0 0 31 -6,-2.8 2,-0.3 1,-0.4 151,-0.2 0.562 59.3 6.8-124.6 -13.4 30.6 13.7 30.3 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.986 62.9-127.1-161.8 152.6 28.3 16.3 28.4 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.372 28.9 175.7 -92.5-175.4 28.0 20.0 28.0 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.1 2,-0.4 -0.973 24.1-110.1-173.2 176.9 24.8 22.0 28.5 28 45 A S E -JL 15 36C 1 8,-2.6 8,-2.8 -2,-0.3 2,-0.6 -0.986 17.0-132.0-131.8 134.4 23.4 25.6 28.6 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.7 -2,-0.4 6,-0.2 -0.679 26.2 172.7 -80.1 116.0 22.1 27.7 31.4 30 47 A I E - 0 0 16 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.629 69.9 -9.1-102.2 -17.6 18.7 29.2 30.4 31 48 A N E > S- L 0 34C 48 3,-1.4 3,-0.8 70,-0.1 -1,-0.3 -0.950 90.1 -78.2-155.3-174.8 17.9 30.8 33.7 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.705 128.1 27.8 -65.3 -11.0 19.3 30.7 37.3 33 50 A Q T 3 S+ 0 0 66 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.428 110.2 71.7-127.5 1.1 17.7 27.3 38.1 34 51 A W E < -LM 31 89C 6 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.4 -0.972 47.8-173.5-131.0 137.0 17.4 25.5 34.7 35 52 A V E -LM 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.956 12.0-151.1-119.9 137.3 19.8 23.9 32.3 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.867 29.2 149.3-109.1 138.4 19.0 22.5 28.9 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.4 -0.813 50.5 -63.9-143.1-168.4 21.1 19.6 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.2 47,-0.3 -0.729 35.3-133.9 -86.3 138.8 20.8 16.6 25.1 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.862 106.9 64.4 -60.6 -30.5 18.4 13.8 26.2 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.669 92.5 64.9 -70.3 -8.6 21.2 11.2 25.2 41 58 A b G < S+ 0 0 3 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.445 76.1 135.5 -83.5 -2.1 23.2 12.9 28.0 42 59 A Y < + 0 0 137 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.223 20.0 147.4 -57.4 135.7 20.6 11.6 30.6 43 60 A K - 0 0 56 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.970 46.4-112.2-159.8 151.4 22.2 10.1 33.7 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.651 96.9 33.7 -86.2 154.2 21.2 9.9 37.5 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.913 77.2 174.3 72.5 39.8 23.4 11.8 39.9 46 63 A I - 0 0 5 -3,-0.3 21,-2.7 -26,-0.1 2,-0.6 -0.645 17.8-161.9 -81.9 127.9 24.3 14.8 37.7 47 64 A Q E -KN 19 66C 55 -28,-2.6 -28,-2.6 -2,-0.4 2,-0.5 -0.956 15.6-140.5-104.6 129.9 26.3 17.7 39.3 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.6 2,-0.6 -0.757 11.8-158.1 -90.5 125.2 26.1 20.9 37.2 49 66 A R E +KN 17 64C 52 -32,-2.9 -32,-2.7 -2,-0.5 3,-0.3 -0.918 14.3 179.5-113.1 114.0 29.4 22.8 36.9 50 67 A L E + N 0 63C 2 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.692 59.9 33.8-103.5 162.0 29.0 26.5 36.1 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.705 85.1 156.0 64.5 19.8 31.7 29.2 35.6 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.491 23.0 146.1 -83.6 139.5 34.2 26.6 34.2 53 71 A D S S+ 0 0 14 1,-0.3 2,-0.9 4,-0.3 -1,-0.1 0.233 82.4 32.2-121.0 -78.4 37.2 27.1 32.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.624 71.4-164.7 -76.2 109.6 39.7 24.5 33.0 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.601 87.5 51.3 -72.2 -10.8 37.5 21.6 34.2 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.472 107.1 59.5-100.2 -2.1 40.5 19.9 36.0 57 75 A V S < S- 0 0 77 -3,-1.0 2,-0.8 76,-0.2 -4,-0.3 -0.988 76.5-132.3-129.7 132.8 41.5 23.1 38.0 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.787 33.0 171.1 -79.6 112.7 39.6 25.1 40.5 59 77 A E - 0 0 96 -2,-0.8 -1,-0.1 -5,-0.2 -7,-0.0 0.418 52.3 -98.6-108.4 -7.3 40.2 28.6 39.2 60 78 A G S S+ 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.272 103.5 78.9 110.8 -13.6 37.9 30.6 41.3 61 79 A N + 0 0 60 -10,-0.3 -9,-0.1 38,-0.0 2,-0.0 0.412 66.1 120.9-107.6 7.1 34.7 31.3 39.2 62 80 A E - 0 0 35 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.264 39.5-170.6 -74.3 148.5 33.0 27.9 39.6 63 81 A Q E -N 50 0C 37 -13,-1.9 -13,-2.8 2,-0.1 2,-0.6 -0.975 8.1-163.6-133.2 118.5 29.6 27.1 41.0 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.953 17.1 170.3-107.6 115.2 29.0 23.4 41.5 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.1 -0.991 27.5-129.8-128.5 124.7 25.2 22.8 42.0 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.369 26.7-109.3 -71.3 149.7 23.6 19.3 42.0 67 85 A A E -O 90 0C 16 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.567 25.8-173.3 -75.3 135.5 20.6 18.5 39.9 68 86 A S E S+ 0 0 59 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.804 72.4 8.4 -96.1 -29.7 17.3 18.0 41.7 69 87 A K E -O 89 0C 89 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.999 59.3-160.4-149.7 141.5 15.2 16.8 38.7 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.985 6.0-164.7-122.9 137.0 15.8 15.9 35.1 71 89 A I E -O 87 0C 34 16,-3.1 16,-2.6 -2,-0.4 2,-0.3 -0.927 4.5-159.3-125.7 105.5 13.1 15.8 32.4 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.644 42.8 -89.8 -79.6 140.6 13.8 14.1 29.2 73 91 A H > - 0 0 22 12,-2.3 3,-2.1 -2,-0.3 -1,-0.1 -0.241 36.7-122.4 -46.5 136.6 11.6 15.2 26.3 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.786 108.7 41.2 -62.4 -27.0 8.4 13.1 26.3 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.051 78.1 146.2-106.2 22.7 9.0 11.9 22.7 76 94 A Y < - 0 0 60 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.419 30.4-163.5 -58.4 125.1 12.7 11.3 22.8 77 95 A N B >> -P 82 0D 67 5,-2.4 4,-2.3 -2,-0.2 5,-0.6 -0.912 7.6-166.0-112.1 107.6 13.7 8.4 20.5 78 96 A S T 45S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.706 85.5 56.5 -66.9 -17.3 17.2 7.2 21.3 79 97 A N T 45S+ 0 0 143 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.960 123.0 22.9 -78.2 -44.8 17.4 5.1 18.1 80 98 A T T 45S- 0 0 71 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.616 97.4-131.3 -92.9 -11.4 16.8 8.0 15.7 81 99 A L T ><5 + 0 0 34 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.629 50.1 159.0 62.1 17.4 17.9 10.8 18.1 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-2.4 1,-0.2 -1,-0.3 -0.529 65.9 13.2 -69.2 136.1 14.6 12.6 17.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-1.9 -7,-0.2 -1,-0.2 0.889 79.6 178.1 63.6 44.1 13.7 15.2 20.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.497 33.9 114.6 -78.5 77.8 17.2 15.0 21.7 85 103 A I + 0 0 0 -2,-1.9 -12,-2.3 -47,-0.3 2,-0.3 -1.000 36.8 179.6-150.1 143.8 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.5 -2,-0.3 2,-0.4 -0.997 17.4-140.6-145.8 145.8 16.4 17.4 28.2 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.5 -0.895 13.0-164.5-108.3 141.6 15.9 19.9 31.0 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.6 -2,-0.4 2,-0.5 -0.973 7.3-151.4-125.3 124.4 17.7 19.8 34.3 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-3.2 -2,-0.5 -20,-1.1 -0.798 17.6-131.6 -95.0 133.0 16.6 21.7 37.4 90 108 A L E - 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0 0 30 -88,-1.3 -72,-0.3 -2,-0.5 2,-0.1 -0.991 43.3-115.1-142.3 147.6 25.0 34.1 32.8 102 120 A S - 0 0 55 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.476 26.7-131.3 -80.4 155.2 21.9 32.6 31.2 103 121 A I - 0 0 19 -74,-2.7 2,-0.2 -89,-0.2 83,-0.1 -0.883 25.0-109.9-104.7 140.8 21.3 32.4 27.4 104 122 A S B -c 186 0B 62 81,-0.7 83,-3.0 -2,-0.4 -73,-0.1 -0.465 22.4-126.8 -67.2 140.4 18.1 33.5 25.7 105 123 A L - 0 0 35 81,-0.2 2,-0.1 -2,-0.2 83,-0.1 -0.443 37.0-101.5 -76.7 150.5 15.7 31.2 24.1 106 124 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.421 22.0-166.2 -77.9 149.3 14.8 32.0 20.5 107 125 A T S S+ 0 0 131 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.548 84.3 29.9 -99.7 -9.7 11.6 33.6 19.4 108 127 A S S S- 0 0 83 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.986 89.6-106.5-143.5 147.4 12.3 32.6 15.8 109 128 A c - 0 0 57 -2,-0.3 2,-0.2 -3,-0.1 79,-0.1 -0.535 41.4-111.6 -71.7 142.5 14.1 29.7 14.1 110 129 A A - 0 0 26 -2,-0.2 2,-0.2 78,-0.1 -1,-0.1 -0.468 29.9-126.5 -77.7 142.0 17.5 30.6 12.6 111 130 A S > - 0 0 87 -2,-0.2 3,-1.8 1,-0.1 31,-0.3 -0.545 30.3 -90.1 -82.8 149.7 17.9 30.5 8.8 112 132 A A T 3 S+ 0 0 56 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.257 115.1 39.8 -47.0 139.9 20.5 28.6 6.7 113 133 A G T 3 S+ 0 0 64 29,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.196 82.7 132.6 95.4 -21.2 23.6 30.8 6.2 114 134 A T < - 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