==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-05 1YKT . COMPND 2 MOLECULE: TRYPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.K.BROWN,D.H.OHLENDORF . 279 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1.1 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 7.9 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 1 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 . 5 2 1 6 2 1 1 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 1 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 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.5 -18.8 -84.7 -1.8 2 17 A V B +A 171 0A 13 169,-3.3 169,-1.7 1,-0.2 123,-0.1 -0.839 360.0 6.0-101.0 133.2 -22.3 -84.4 -0.3 3 18 A G S S+ 0 0 41 121,-0.6 -1,-0.2 -2,-0.4 122,-0.1 0.690 102.2 118.4 73.1 18.9 -22.8 -82.0 2.6 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.046 57.9-115.5 -98.2-157.1 -19.4 -80.6 2.5 5 20 A Y E -B 137 0B 102 132,-2.4 132,-3.7 -3,-0.1 2,-0.3 -0.955 35.1 -87.0-141.6 158.1 -18.0 -77.1 1.8 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.517 50.1-121.4 -68.7 126.0 -15.9 -75.4 -0.8 7 22 A a - 0 0 3 128,-2.4 2,-0.2 -2,-0.3 3,-0.1 -0.350 31.7 -96.5 -67.0 149.8 -12.2 -75.9 0.1 8 23 A Q > - 0 0 159 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.483 62.2 -82.3 -64.8 134.2 -10.1 -72.8 0.5 9 24 A E T 3 S- 0 0 105 1,-0.3 -1,-0.2 -2,-0.2 44,-0.1 -0.120 110.7 -5.8 -44.4 121.8 -8.4 -72.3 -2.9 10 25 A N T 3 S+ 0 0 15 42,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.763 91.7 126.4 61.3 30.4 -5.3 -74.5 -3.0 11 26 A S S < S+ 0 0 54 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.484 74.7 51.2 -91.6 -5.2 -5.6 -75.7 0.6 12 27 A V > + 0 0 8 -4,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.609 68.3 163.6-129.5 67.5 -5.5 -79.3 -0.7 13 28 A P T 3 + 0 0 29 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.587 69.9 60.3 -63.2 -15.8 -2.3 -79.1 -2.8 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.498 81.0 105.6 -91.9 -6.4 -1.9 -82.9 -3.0 15 30 A Q E < -K 28 0C 6 -3,-1.5 36,-0.5 13,-0.2 37,-0.3 -0.535 48.5-177.6 -75.7 137.7 -5.3 -83.4 -4.7 16 31 A V E -KL 27 50C 1 11,-2.1 11,-1.1 -2,-0.2 2,-0.4 -0.912 21.4-132.1-131.9 161.3 -5.3 -84.3 -8.4 17 32 A S E -KL 26 49C 0 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.949 13.3-143.3-114.2 134.4 -7.9 -84.9 -11.0 18 33 A L E -KL 25 48C 0 7,-3.2 6,-2.4 -2,-0.4 7,-1.1 -0.883 27.4-177.5 -97.1 125.4 -7.8 -87.9 -13.3 19 34 A N E +KL 23 47C 13 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.983 30.2 165.4-131.8 133.7 -9.0 -86.9 -16.8 20 37 A S S S- 0 0 59 2,-1.6 3,-0.1 -2,-0.4 -1,-0.1 -0.016 98.3 -38.5-131.8 27.4 -9.5 -88.9 -20.0 21 38 A G S S+ 0 0 67 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 -0.145 140.0 20.3 139.2 -32.6 -11.6 -86.3 -21.8 22 39 A Y S S- 0 0 74 -4,-0.0 -2,-1.6 0, 0.0 2,-0.3 -0.950 100.7 -78.4-153.4 161.7 -13.5 -85.3 -18.6 23 40 A H E +K 19 0C 25 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.523 54.0 155.4 -67.5 125.3 -12.9 -85.6 -14.9 24 41 A F E + 0 0 0 -6,-2.4 217,-2.0 1,-0.4 2,-0.3 0.560 58.6 7.3-127.5 -14.7 -13.7 -89.2 -13.8 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.2 215,-0.2 -1,-0.4 -0.983 60.6-125.8-160.8 165.9 -11.7 -89.7 -10.6 26 43 A G E +K 17 0C 2 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.490 24.4 176.2-108.6-179.0 -9.5 -88.2 -8.0 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.966 23.9-116.2-172.0 173.8 -6.0 -89.0 -6.7 28 45 A S E -KM 15 36C 1 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.991 19.0-130.4-131.5 135.9 -3.2 -87.9 -4.4 29 46 A L E + M 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.734 27.7 171.4 -84.6 120.4 0.4 -86.9 -5.2 30 47 A I E - 0 0 21 4,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.604 68.1 -3.2-104.3 -17.0 2.8 -88.8 -3.0 31 48 A N E > S- M 0 34C 37 3,-1.2 3,-1.2 70,-0.1 -1,-0.3 -0.955 90.0 -80.8-162.3 168.3 6.0 -87.7 -4.6 32 49 A D T 3 S+ 0 0 64 -2,-0.3 62,-2.3 1,-0.2 60,-0.1 0.586 127.2 27.3 -55.3 -10.9 7.1 -85.6 -7.6 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.394 109.7 71.6-132.1 2.0 6.5 -88.5 -10.0 34 51 A W E < -MN 31 89C 9 -3,-1.2 -4,-2.1 55,-0.2 -3,-1.2 -0.973 47.2-171.7-132.3 141.2 3.8 -90.7 -8.5 35 52 A V E -MN 29 88C 0 53,-2.7 53,-3.0 -2,-0.4 2,-0.4 -0.935 13.3-148.1-123.2 143.4 0.1 -90.5 -7.8 36 53 A V E +MN 28 87C 1 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.931 31.4 145.2-113.5 138.0 -2.0 -92.9 -5.8 37 54 A S E - N 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.3 -0.750 50.1 -64.2-148.4-165.8 -5.7 -93.6 -6.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.2 -0.727 34.2-131.9 -95.0 145.5 -8.3 -96.4 -6.7 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.816 105.8 63.0 -64.7 -31.2 -7.9 -99.4 -8.9 40 57 A H G 3 S+ 0 0 15 1,-0.3 -1,-0.3 41,-0.1 200,-0.1 0.575 91.1 68.5 -73.4 -2.5 -11.5 -99.2 -10.2 41 58 A b G < S+ 0 0 1 -3,-1.5 -1,-0.3 199,-0.1 -2,-0.2 0.324 75.0 141.6 -91.4 5.8 -10.4 -95.8 -11.7 42 59 A Y < + 0 0 105 -3,-1.8 2,-0.3 2,-0.0 3,-0.1 -0.208 19.8 164.9 -53.7 136.2 -8.2 -97.7 -14.1 43 60 A K - 0 0 43 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.971 41.7-129.6-149.3 143.7 -8.1 -96.4 -17.7 44 61 A S S S+ 0 0 82 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.873 101.1 34.9 -66.5 -35.9 -5.6 -97.2 -20.4 45 62 A R S S+ 0 0 192 -3,-0.1 2,-0.4 -25,-0.0 -1,-0.2 -0.980 75.2 169.6-122.2 125.7 -4.9 -93.5 -21.1 46 63 A I - 0 0 8 -2,-0.5 21,-2.6 21,-0.2 2,-0.5 -0.998 21.7-158.1-140.0 137.8 -5.0 -91.0 -18.3 47 64 A Q E -LO 19 66C 48 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.5 -0.953 17.8-145.9-112.2 130.1 -4.0 -87.3 -17.9 48 66 A V E -LO 18 65C 0 17,-3.5 17,-2.6 -2,-0.5 2,-0.6 -0.842 9.2-159.9 -98.4 129.8 -3.3 -86.1 -14.4 49 67 A R E -LO 17 64C 53 -32,-2.8 -32,-2.2 -2,-0.5 2,-0.3 -0.946 13.2-178.3-114.1 119.8 -4.3 -82.5 -13.6 50 68 A L E +LO 16 63C 2 13,-2.6 13,-1.9 -2,-0.6 -34,-0.1 -0.765 58.7 35.1-114.4 160.3 -2.6 -80.8 -10.6 51 69 A G S S+ 0 0 2 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.696 83.1 154.0 72.8 19.7 -2.9 -77.4 -9.0 52 70 A E + 0 0 14 -37,-0.3 -1,-0.2 -3,-0.3 -42,-0.2 -0.524 21.3 150.1 -84.5 146.0 -6.6 -77.4 -9.8 53 71 A H S S+ 0 0 16 4,-0.2 82,-1.3 1,-0.2 2,-0.9 0.422 79.1 37.2-132.4 -60.9 -9.3 -75.6 -8.0 54 72 A N B > S-Q 134 0D 29 3,-0.2 3,-1.5 80,-0.2 80,-0.2 -0.861 72.5-161.4 -99.3 103.7 -12.0 -74.8 -10.6 55 73 A I T 3 S+ 0 0 22 78,-2.5 -1,-0.1 -2,-0.9 79,-0.1 0.670 85.6 48.1 -60.0 -18.2 -12.0 -77.9 -12.8 56 74 A N T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.345 102.6 63.6-108.2 7.5 -13.8 -76.1 -15.6 57 75 A V S < S- 0 0 81 -3,-1.5 2,-0.7 76,-0.2 -3,-0.2 -0.995 80.1-121.2-135.7 131.6 -11.7 -72.9 -16.0 58 76 A L + 0 0 140 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.589 36.1 172.5 -71.0 111.1 -8.1 -72.4 -16.9 59 77 A E - 0 0 59 -2,-0.7 -1,-0.2 -5,-0.1 -7,-0.0 0.754 43.0-117.9 -93.5 -29.7 -6.7 -70.6 -13.8 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.288 96.8 82.8 109.1 -10.2 -3.0 -70.6 -14.6 61 79 A N + 0 0 70 -10,-0.2 -9,-0.1 2,-0.0 38,-0.1 0.492 68.7 111.3-101.7 -5.6 -1.7 -72.6 -11.7 62 80 A E - 0 0 24 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.306 49.2-159.7 -76.2 152.5 -2.4 -76.0 -13.3 63 81 A Q E -O 50 0C 35 -13,-1.9 -13,-2.6 -2,-0.1 2,-0.5 -0.997 7.1-157.0-128.1 129.4 0.0 -78.6 -14.6 64 82 A F E +O 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.958 20.2 169.5-111.0 119.9 -1.2 -81.2 -17.1 65 83 A V E -O 48 0C 15 -17,-2.6 -17,-3.5 -2,-0.5 2,-0.1 -0.996 27.3-130.5-136.3 133.2 0.9 -84.4 -17.1 66 84 A N E -O 47 0C 92 -2,-0.4 25,-2.5 -19,-0.2 2,-0.4 -0.454 28.6-109.5 -79.4 151.6 0.2 -87.7 -18.9 67 85 A A E -P 90 0C 23 -21,-2.6 -21,-0.2 23,-0.2 23,-0.2 -0.669 28.5-175.8 -80.7 132.2 0.4 -91.1 -17.0 68 86 A A E S+ 0 0 59 21,-3.1 2,-0.4 -2,-0.4 22,-0.2 0.780 72.7 18.7 -95.9 -35.8 3.4 -93.1 -18.2 69 87 A K E -P 89 0C 88 20,-1.6 20,-2.7 2,-0.0 2,-0.5 -1.000 60.6-164.3-140.0 136.8 2.7 -96.2 -16.1 70 88 A I E -P 88 0C 41 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.982 12.6-177.2-122.4 118.1 -0.5 -97.4 -14.4 71 89 A I E -P 87 0C 40 16,-3.2 16,-3.1 -2,-0.5 2,-0.2 -0.926 5.9-165.5-123.9 110.6 -0.1 -100.2 -11.8 72 90 A K E -P 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.564 41.0 -89.8 -87.7 154.2 -3.0 -101.7 -10.0 73 91 A H > - 0 0 22 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.440 36.6-129.1 -61.3 132.0 -2.6 -103.8 -6.9 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.689 105.8 50.6 -58.6 -18.1 -2.1 -107.4 -8.1 75 93 A N T 3 S+ 0 0 107 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.195 76.3 139.3-106.7 16.5 -4.8 -108.7 -5.7 76 94 A F < - 0 0 32 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.379 39.9-152.5 -62.5 134.9 -7.5 -106.2 -6.7 77 95 A D > - 0 0 70 5,-1.8 4,-2.6 1,-0.1 5,-0.3 -0.947 8.6-158.6-116.9 112.9 -11.0 -107.8 -6.9 78 96 A R T 4 S+ 0 0 168 -2,-0.6 185,-0.4 1,-0.2 -1,-0.1 0.651 92.9 43.2 -61.3 -19.8 -13.5 -106.1 -9.3 79 97 A K T 4 S+ 0 0 148 183,-0.1 -1,-0.2 3,-0.1 183,-0.0 0.869 125.4 26.8 -95.3 -45.8 -16.4 -107.7 -7.4 80 98 A T T 4 S- 0 0 67 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.636 93.2-135.3 -91.6 -17.3 -15.5 -107.3 -3.7 81 99 A L >< + 0 0 6 -4,-2.6 3,-0.8 1,-0.2 2,-0.2 0.649 46.2 159.3 70.0 17.3 -13.4 -104.2 -4.2 82 100 A N T 3 + 0 0 36 -5,-0.3 -5,-1.8 1,-0.3 -1,-0.2 -0.512 65.5 17.1 -71.4 138.2 -10.7 -105.6 -1.9 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.898 78.2 176.9 66.0 43.0 -7.3 -104.0 -2.5 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.531 34.0 115.6 -80.6 78.2 -8.8 -101.0 -4.3 85 103 A I - 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