==== 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/INHIBITOR 19-JAN-05 1YLD . COMPND 2 MOLECULE: TRYPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.K.BROWN,D.H.OHLENDORF . 279 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 61.6 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.6 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 0.000 360.0 360.0 360.0 119.4 -18.9 -84.7 -1.7 2 17 A V B +A 171 0A 13 169,-3.1 169,-1.7 1,-0.2 123,-0.1 -0.833 360.0 5.3 -99.2 131.4 -22.4 -84.4 -0.2 3 18 A G S S+ 0 0 41 121,-0.7 -1,-0.2 -2,-0.4 122,-0.1 0.689 101.9 119.5 73.5 18.7 -22.9 -82.0 2.7 4 19 A G - 0 0 27 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.042 57.9-113.6 -97.0-157.5 -19.4 -80.5 2.6 5 20 A Y E -B 137 0B 102 132,-2.3 132,-3.8 -3,-0.1 2,-0.3 -0.959 34.8 -88.6-140.0 156.6 -18.1 -77.1 2.0 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.503 50.3-121.2 -67.7 125.6 -16.0 -75.4 -0.8 7 22 A a - 0 0 4 128,-2.4 2,-0.1 -2,-0.3 3,-0.1 -0.348 30.9 -96.3 -67.2 149.6 -12.4 -75.8 0.1 8 23 A Q > - 0 0 156 1,-0.2 3,-2.3 2,-0.1 4,-0.3 -0.466 62.2 -82.4 -64.2 133.2 -10.2 -72.7 0.5 9 24 A E T 3 S- 0 0 109 1,-0.3 -1,-0.2 -2,-0.1 44,-0.1 -0.100 110.3 -6.5 -43.4 121.5 -8.5 -72.2 -2.8 10 25 A N T 3 S+ 0 0 16 42,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.747 91.5 128.0 61.5 28.8 -5.4 -74.4 -3.0 11 26 A S S < S+ 0 0 53 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.511 73.8 50.8 -89.2 -5.2 -5.7 -75.6 0.6 12 27 A V > + 0 0 8 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.620 68.4 166.0-129.3 67.8 -5.5 -79.2 -0.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.594 71.0 59.7 -61.2 -16.1 -2.4 -79.0 -2.8 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.523 80.7 106.6 -91.7 -8.2 -2.0 -82.8 -3.1 15 30 A Q E < -K 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.500 48.5-176.6 -73.6 136.9 -5.4 -83.3 -4.7 16 31 A V E -KL 27 50C 1 11,-2.0 11,-1.1 -2,-0.2 2,-0.4 -0.907 20.9-134.3-131.0 161.4 -5.4 -84.2 -8.4 17 32 A S E -KL 26 49C 0 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.960 13.8-143.8-115.6 132.9 -8.1 -84.8 -11.0 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.2 -2,-0.4 7,-1.0 -0.868 26.6-177.5 -96.2 129.5 -7.9 -87.7 -13.3 19 34 A N E +KL 23 47C 11 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.992 30.6 165.5-135.9 134.6 -9.2 -86.8 -16.8 20 37 A S S S- 0 0 58 2,-1.6 3,-0.1 -2,-0.4 -1,-0.1 -0.029 99.2 -36.8-133.3 27.7 -9.7 -88.7 -20.0 21 38 A G S S+ 0 0 65 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 -0.116 140.0 18.2 139.1 -29.6 -11.8 -86.2 -21.7 22 39 A Y S S- 0 0 70 -4,-0.0 -2,-1.6 0, 0.0 2,-0.3 -0.952 99.9 -76.3-157.3 163.4 -13.6 -85.2 -18.6 23 40 A H E +K 19 0C 23 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.550 54.0 154.5 -69.0 126.6 -13.1 -85.5 -14.8 24 41 A F E + 0 0 1 -6,-2.2 217,-2.2 1,-0.4 2,-0.3 0.531 59.2 6.4-129.4 -13.9 -13.8 -89.0 -13.7 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.1 215,-0.2 -1,-0.4 -0.983 60.8-126.7-162.6 164.2 -11.8 -89.7 -10.5 26 43 A G E +K 17 0C 2 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.452 24.3 176.9-107.3-176.1 -9.5 -88.0 -8.0 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.0 -2,-0.2 2,-0.4 -0.963 23.9-114.1-172.6 175.7 -6.1 -88.9 -6.7 28 45 A S E -KM 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.992 18.6-131.0-131.8 136.5 -3.2 -87.8 -4.4 29 46 A L E + M 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.746 28.3 170.5 -85.0 121.4 0.3 -86.7 -5.3 30 47 A I E - 0 0 20 4,-2.0 2,-0.3 -2,-0.6 -1,-0.2 0.584 67.6 -1.8-107.1 -15.2 2.8 -88.6 -3.0 31 48 A N E > S- M 0 34C 37 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.943 91.2 -80.6-161.0 171.6 6.0 -87.6 -4.7 32 49 A D T 3 S+ 0 0 63 -2,-0.3 62,-2.5 1,-0.2 60,-0.1 0.573 126.9 25.8 -61.0 -7.1 7.0 -85.4 -7.7 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.387 109.4 72.6-135.8 2.9 6.3 -88.3 -10.2 34 51 A W E < -MN 31 89C 10 -3,-0.9 -4,-2.0 55,-0.2 -3,-1.2 -0.973 47.6-171.6-130.9 141.4 3.7 -90.6 -8.6 35 52 A V E -MN 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.949 13.3-147.3-124.6 143.0 0.0 -90.4 -7.9 36 53 A V E +MN 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.924 31.8 144.9-112.8 137.8 -2.1 -92.8 -5.9 37 54 A S E - N 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.3 -0.755 50.4 -63.8-148.6-166.1 -5.7 -93.5 -6.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.2 -0.727 33.9-133.0 -94.8 143.5 -8.3 -96.3 -6.7 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.808 105.3 63.9 -64.1 -29.5 -7.9 -99.3 -9.0 40 57 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 41,-0.1 200,-0.1 0.589 91.0 68.3 -73.3 -2.8 -11.5 -99.1 -10.2 41 58 A b G < S+ 0 0 1 -3,-1.6 -1,-0.3 199,-0.1 -2,-0.2 0.297 74.5 140.7 -92.0 7.3 -10.5 -95.7 -11.7 42 59 A Y < + 0 0 104 -3,-1.8 2,-0.3 219,-0.1 -3,-0.0 -0.258 20.5 165.7 -56.7 135.2 -8.3 -97.6 -14.2 43 60 A K - 0 0 45 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.968 42.4-127.1-146.1 145.6 -8.3 -96.2 -17.8 44 61 A S S S+ 0 0 77 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.836 102.0 33.2 -67.2 -31.6 -5.8 -97.1 -20.5 45 62 A R S S+ 0 0 186 -3,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.992 74.9 171.6-127.9 125.5 -5.1 -93.4 -21.1 46 63 A I - 0 0 7 -2,-0.4 21,-2.6 21,-0.2 2,-0.5 -0.997 20.6-157.3-138.3 136.6 -5.2 -90.8 -18.3 47 64 A Q E -LO 19 66C 49 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.945 18.0-145.9-110.1 130.6 -4.2 -87.2 -18.0 48 66 A V E -LO 18 65C 0 17,-3.5 17,-2.6 -2,-0.5 2,-0.6 -0.843 8.8-159.9 -99.0 130.5 -3.5 -85.9 -14.5 49 67 A R E -LO 17 64C 52 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.949 13.2-178.3-114.5 119.2 -4.4 -82.4 -13.6 50 68 A L E +LO 16 63C 2 13,-2.5 13,-1.9 -2,-0.6 -34,-0.1 -0.752 59.1 35.2-113.1 160.8 -2.7 -80.7 -10.6 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.723 83.6 154.6 71.0 22.1 -3.0 -77.3 -9.0 52 70 A E + 0 0 14 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.520 22.1 149.4 -86.6 149.1 -6.8 -77.4 -9.7 53 71 A H S S+ 0 0 13 1,-0.3 82,-1.3 4,-0.2 2,-0.8 0.387 79.8 35.6-135.4 -62.2 -9.5 -75.5 -7.9 54 72 A N B > S-Q 134 0D 29 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.880 72.8-161.8 -98.5 108.0 -12.2 -74.8 -10.5 55 73 A I T 3 S+ 0 0 19 78,-2.6 -1,-0.1 -2,-0.8 79,-0.1 0.623 84.3 49.7 -68.5 -10.6 -12.1 -77.8 -12.8 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.366 102.5 62.3-110.3 5.8 -13.9 -76.1 -15.6 57 75 A V S < S- 0 0 80 -3,-1.2 2,-0.7 76,-0.1 -3,-0.2 -0.996 80.8-121.0-134.8 132.2 -11.9 -72.8 -15.9 58 76 A L + 0 0 134 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.604 34.9 173.8 -72.6 112.3 -8.3 -72.3 -16.9 59 77 A E - 0 0 62 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.735 42.8-117.5 -93.2 -27.8 -6.9 -70.5 -13.8 60 78 A G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.271 97.4 82.1 108.5 -11.7 -3.2 -70.4 -14.6 61 79 A N + 0 0 72 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.439 68.8 111.2-102.4 -2.8 -1.8 -72.5 -11.7 62 80 A E - 0 0 23 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.350 49.6-158.8 -78.4 153.3 -2.6 -75.9 -13.3 63 81 A Q E -O 50 0C 36 -13,-1.9 -13,-2.5 -2,-0.1 2,-0.5 -0.997 6.8-157.1-128.1 129.9 -0.2 -78.5 -14.6 64 82 A F E +O 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 20.0 168.7-111.1 121.4 -1.4 -81.1 -17.1 65 83 A V E -O 48 0C 16 -17,-2.6 -17,-3.5 -2,-0.5 2,-0.1 -0.996 27.5-130.7-138.1 133.1 0.7 -84.3 -17.2 66 84 A N E -O 47 0C 91 -2,-0.4 25,-2.6 -19,-0.2 2,-0.4 -0.456 29.8-107.5 -79.5 152.2 -0.0 -87.6 -18.9 67 85 A A E -P 90 0C 23 -21,-2.6 23,-0.2 23,-0.2 -21,-0.2 -0.649 29.0-174.9 -79.7 131.9 0.3 -90.9 -17.1 68 86 A A E S+ 0 0 58 21,-3.3 2,-0.4 -2,-0.4 22,-0.2 0.818 73.1 15.6 -93.8 -39.7 3.3 -92.9 -18.2 69 87 A K E -P 89 0C 86 20,-1.5 20,-2.7 2,-0.0 2,-0.5 -0.998 61.5-163.1-137.8 139.8 2.6 -96.1 -16.2 70 88 A I E -P 88 0C 43 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.978 12.2-176.3-125.8 116.0 -0.5 -97.2 -14.5 71 89 A I E -P 87 0C 43 16,-3.2 16,-3.0 -2,-0.5 2,-0.2 -0.927 5.9-164.9-121.2 111.2 -0.1 -100.0 -11.9 72 90 A K E -P 86 0C 50 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.556 41.1 -89.4 -87.2 154.7 -3.1 -101.6 -10.1 73 91 A H > - 0 0 21 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.434 36.1-129.0 -61.6 134.7 -2.6 -103.7 -7.0 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.736 106.2 50.5 -59.5 -22.8 -2.1 -107.3 -8.2 75 93 A N T 3 S+ 0 0 108 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.207 76.9 139.7-101.4 15.0 -4.8 -108.5 -5.8 76 94 A F < - 0 0 32 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.371 38.8-154.9 -61.3 133.0 -7.5 -106.0 -6.8 77 95 A D > - 0 0 67 5,-1.8 4,-2.4 1,-0.1 5,-0.3 -0.954 7.9-157.8-116.2 113.5 -10.9 -107.7 -7.0 78 96 A R T 4 S+ 0 0 168 -2,-0.6 185,-0.4 1,-0.2 -1,-0.1 0.655 92.0 43.8 -61.9 -20.3 -13.4 -106.0 -9.3 79 97 A K T 4 S+ 0 0 146 183,-0.1 -1,-0.2 3,-0.1 183,-0.0 0.874 124.8 27.4 -94.1 -45.3 -16.4 -107.5 -7.5 80 98 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.623 93.3-135.3 -92.1 -16.2 -15.5 -107.1 -3.8 81 99 A L >< + 0 0 5 -4,-2.4 3,-0.9 1,-0.2 2,-0.2 0.636 46.2 159.0 69.1 16.5 -13.3 -104.0 -4.3 82 100 A N T 3 + 0 0 36 -5,-0.3 -5,-1.8 1,-0.3 -1,-0.2 -0.514 66.6 16.8 -70.7 138.1 -10.7 -105.5 -1.9 83 101 A N T 3 S+ 0 0 14 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.885 78.5 175.7 65.8 41.8 -7.3 -103.9 -2.6 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.510 33.4 117.4 -80.0 75.8 -8.8 -100.9 -4.4 85 103 A I - 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