==== 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 1YLC . COMPND 2 MOLECULE: TRYPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.K.BROWN,D.H.OHLENDORF . 279 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 60.9 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 . 81 29.0 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.9 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 2 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 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.9 -19.0 -84.9 -1.7 2 17 A V B +A 171 0A 11 169,-3.0 169,-1.5 1,-0.2 123,-0.1 -0.787 360.0 7.6 -98.2 134.9 -22.5 -84.6 -0.2 3 18 A G S S+ 0 0 40 121,-0.7 -1,-0.2 -2,-0.4 169,-0.1 0.659 102.3 118.8 71.5 18.1 -23.0 -82.2 2.8 4 19 A G - 0 0 29 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.024 57.5-116.2 -95.8-158.4 -19.6 -80.7 2.5 5 20 A Y E -B 137 0B 102 132,-2.2 132,-3.5 -3,-0.1 2,-0.3 -0.954 35.0 -86.7-141.0 159.6 -18.2 -77.2 1.9 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.526 49.3-122.5 -71.4 123.3 -16.1 -75.6 -0.8 7 22 A a - 0 0 3 128,-2.5 3,-0.1 -2,-0.3 128,-0.1 -0.370 31.3 -98.2 -64.6 147.7 -12.4 -76.0 0.1 8 23 A Q > - 0 0 159 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.443 61.3 -77.4 -65.9 139.8 -10.4 -72.9 0.5 9 24 A E T 3 S- 0 0 112 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.211 111.9 -9.8 -47.7 116.3 -8.4 -72.2 -2.8 10 25 A N T 3 S+ 0 0 20 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.708 91.7 128.7 62.2 31.5 -5.4 -74.6 -3.0 11 26 A S S < S+ 0 0 53 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.487 74.2 50.5 -88.4 -5.7 -5.8 -75.8 0.7 12 27 A V > + 0 0 7 -4,-0.3 3,-1.5 87,-0.1 -1,-0.3 -0.636 69.4 165.5-129.1 69.3 -5.7 -79.4 -0.6 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.609 70.1 60.0 -66.1 -13.3 -2.5 -79.2 -2.8 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.544 80.1 107.4 -89.6 -12.9 -2.1 -83.0 -3.1 15 30 A Q E < -K 28 0C 5 -3,-1.5 36,-0.5 13,-0.2 37,-0.4 -0.478 47.7-177.5 -70.8 131.9 -5.5 -83.5 -4.7 16 31 A V E -KL 27 50C 1 11,-2.0 11,-1.0 -2,-0.2 2,-0.4 -0.881 21.1-133.3-126.7 163.1 -5.5 -84.4 -8.4 17 32 A S E -KL 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.968 13.1-143.5-117.1 131.9 -8.1 -85.0 -11.0 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.1 -0.882 26.9-176.8 -96.2 125.0 -8.0 -88.0 -13.3 19 34 A N E +KL 23 47C 12 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.989 30.8 165.1-131.6 133.8 -9.2 -87.0 -16.8 20 37 A S S S- 0 0 61 2,-1.6 3,-0.1 -2,-0.4 -1,-0.1 0.013 98.6 -40.3-131.1 24.4 -9.8 -89.0 -20.0 21 38 A G S S+ 0 0 66 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 -0.085 139.3 22.6 138.8 -30.2 -11.9 -86.3 -21.7 22 39 A Y S S- 0 0 77 -4,-0.1 -2,-1.6 0, 0.0 2,-0.4 -0.935 101.3 -78.8-151.6 163.1 -13.8 -85.4 -18.6 23 40 A H E +K 19 0C 21 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.569 54.4 155.7 -70.1 127.2 -13.2 -85.7 -14.8 24 41 A F E + 0 0 1 -6,-2.3 217,-2.2 -2,-0.4 2,-0.3 0.584 58.4 6.9-126.3 -21.4 -13.9 -89.3 -13.7 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.1 215,-0.2 -1,-0.4 -0.980 60.5-126.8-158.1 162.9 -11.9 -89.9 -10.5 26 43 A G E +K 17 0C 2 151,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.405 25.0 175.4-103.1-174.7 -9.6 -88.3 -7.9 27 44 A G E -K 16 0C 0 -11,-1.0 -11,-2.0 -2,-0.1 2,-0.4 -0.963 24.2-114.0-176.8 173.4 -6.2 -89.2 -6.7 28 45 A S E -KM 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.990 18.9-130.1-131.2 136.3 -3.3 -88.0 -4.4 29 46 A L E + M 0 35C 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.718 28.1 171.1 -84.1 119.6 0.2 -86.9 -5.2 30 47 A I E - 0 0 19 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.631 68.1 -5.0-102.8 -21.5 2.7 -88.9 -3.1 31 48 A N E > S- M 0 34C 41 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.924 90.5 -80.6-157.7 173.6 6.0 -87.8 -4.7 32 49 A D T 3 S+ 0 0 70 -2,-0.3 62,-2.5 1,-0.2 60,-0.1 0.617 127.7 28.6 -60.8 -12.4 7.0 -85.6 -7.8 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.413 109.5 73.2-125.2 -6.2 6.4 -88.5 -10.2 34 51 A W E < -MN 31 89C 6 -3,-0.8 -4,-2.1 55,-0.2 -3,-1.2 -0.954 47.1-173.2-125.9 141.3 3.7 -90.7 -8.6 35 52 A V E -MN 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.957 13.8-148.3-124.0 141.0 -0.0 -90.5 -7.9 36 53 A V E +MN 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.924 30.9 146.4-112.7 134.3 -2.1 -93.0 -5.8 37 54 A S E - N 0 86C 0 49,-2.9 49,-2.4 -2,-0.4 2,-0.3 -0.731 49.7 -67.0-144.9-168.0 -5.8 -93.7 -6.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.3 47,-0.3 47,-0.2 -0.718 34.8-130.1 -93.3 146.8 -8.4 -96.5 -6.7 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.805 106.2 63.9 -66.0 -28.7 -8.0 -99.5 -8.9 40 57 A H G 3 S+ 0 0 13 1,-0.3 -1,-0.3 41,-0.1 200,-0.1 0.595 89.8 70.1 -72.1 -8.3 -11.6 -99.3 -10.2 41 58 A b G < S+ 0 0 1 -3,-1.3 -1,-0.3 -15,-0.1 -2,-0.2 0.220 74.0 139.3 -88.3 9.5 -10.5 -95.9 -11.7 42 59 A Y < + 0 0 106 -3,-1.5 2,-0.3 219,-0.1 -3,-0.0 -0.345 18.9 160.1 -60.4 139.0 -8.4 -97.8 -14.3 43 60 A K - 0 0 43 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.938 45.9-123.2-153.3 148.8 -8.4 -96.5 -17.9 44 61 A S S S+ 0 0 80 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.796 102.4 35.0 -69.0 -30.2 -5.8 -97.3 -20.5 45 62 A R S S+ 0 0 195 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.993 73.1 171.0-130.6 119.7 -5.1 -93.5 -21.1 46 63 A I - 0 0 6 -2,-0.4 21,-2.4 21,-0.2 2,-0.5 -0.998 20.3-157.4-132.6 136.0 -5.3 -91.0 -18.2 47 64 A Q E -LO 19 66C 48 -28,-2.7 -28,-2.9 -2,-0.4 2,-0.5 -0.949 18.5-144.8-109.9 129.2 -4.3 -87.4 -18.0 48 66 A V E -LO 18 65C 0 17,-3.4 17,-2.6 -2,-0.5 2,-0.6 -0.843 8.7-158.2 -98.4 127.3 -3.5 -86.2 -14.5 49 67 A R E -LO 17 64C 52 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.950 14.4-177.5-111.8 113.6 -4.5 -82.6 -13.6 50 68 A L E +LO 16 63C 2 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.758 58.7 32.8-109.1 157.2 -2.7 -81.0 -10.7 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.706 83.9 153.5 71.6 23.3 -3.1 -77.6 -9.0 52 70 A E + 0 0 14 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.525 23.2 149.9 -88.4 147.9 -6.8 -77.5 -9.7 53 71 A H S S+ 0 0 13 1,-0.2 82,-1.0 4,-0.2 2,-0.8 0.383 79.5 39.3-133.4 -62.4 -9.6 -75.7 -7.9 54 72 A N B > S-Q 134 0D 29 3,-0.2 3,-1.2 80,-0.2 80,-0.2 -0.846 71.4-162.4 -96.5 108.9 -12.2 -74.9 -10.6 55 73 A I T 3 S+ 0 0 21 78,-2.7 -1,-0.1 -2,-0.8 79,-0.1 0.691 85.2 46.4 -65.5 -18.9 -12.3 -78.0 -12.8 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.359 104.8 60.9-107.4 2.5 -14.1 -76.2 -15.7 57 75 A V S < S- 0 0 83 -3,-1.2 2,-0.6 76,-0.1 -3,-0.2 -0.999 80.1-121.8-133.6 133.4 -12.0 -72.9 -16.0 58 76 A L + 0 0 135 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.627 32.3 174.5 -76.2 113.3 -8.3 -72.5 -16.7 59 77 A E - 0 0 64 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.661 44.0-117.4 -93.1 -23.4 -6.9 -70.6 -13.7 60 78 A G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.263 96.7 85.9 103.2 -10.4 -3.2 -70.6 -14.7 61 79 A N + 0 0 68 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.479 67.4 111.6 -97.9 -6.2 -1.9 -72.6 -11.7 62 80 A E - 0 0 22 -13,-0.0 2,-0.4 1,-0.0 -11,-0.2 -0.316 50.1-157.9 -77.7 151.3 -2.6 -76.0 -13.3 63 81 A Q E -O 50 0C 39 -13,-2.0 -13,-2.7 -2,-0.1 2,-0.6 -0.998 6.7-159.1-127.8 122.4 -0.2 -78.7 -14.5 64 82 A F E +O 49 0C 91 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 20.5 168.5-105.5 117.1 -1.5 -81.2 -17.1 65 83 A V E -O 48 0C 12 -17,-2.6 -17,-3.4 -2,-0.6 2,-0.1 -1.000 27.3-129.4-134.1 135.9 0.7 -84.4 -17.2 66 84 A N E -O 47 0C 93 -2,-0.4 25,-2.3 -19,-0.2 2,-0.4 -0.451 28.0-106.4 -82.7 153.7 -0.0 -87.8 -18.9 67 85 A A E -P 90 0C 23 -21,-2.4 23,-0.2 23,-0.2 -21,-0.2 -0.678 30.9-178.9 -80.3 128.7 0.2 -91.2 -17.2 68 86 A A E S+ 0 0 59 21,-3.2 2,-0.4 -2,-0.4 22,-0.2 0.826 73.2 15.6 -92.4 -46.4 3.2 -93.2 -18.3 69 87 A K E -P 89 0C 88 20,-1.4 20,-3.0 2,-0.0 2,-0.5 -0.997 61.9-164.1-133.5 134.2 2.6 -96.4 -16.2 70 88 A I E -P 88 0C 41 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.979 13.0-175.6-121.3 111.8 -0.6 -97.4 -14.5 71 89 A I E -P 87 0C 40 16,-3.2 16,-3.1 -2,-0.5 2,-0.2 -0.923 4.6-166.4-116.8 109.8 -0.1 -100.2 -11.9 72 90 A K E -P 86 0C 50 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.514 40.5 -88.0 -86.8 157.8 -3.1 -101.8 -10.1 73 91 A H > - 0 0 22 12,-1.8 3,-1.9 10,-0.3 -1,-0.1 -0.488 35.1-131.0 -64.9 130.1 -2.7 -104.0 -7.0 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 105.9 50.4 -56.0 -23.9 -2.1 -107.6 -8.2 75 93 A N T 3 S+ 0 0 112 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.156 77.8 140.6-102.1 17.7 -4.8 -108.8 -5.8 76 94 A F < - 0 0 34 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.400 38.2-154.3 -64.1 133.0 -7.5 -106.4 -6.8 77 95 A D > - 0 0 68 5,-1.9 4,-1.9 -2,-0.1 5,-0.2 -0.961 8.8-159.1-115.1 118.0 -11.0 -108.0 -6.9 78 96 A R T 4 S+ 0 0 170 -2,-0.5 185,-0.4 1,-0.2 -1,-0.1 0.639 92.0 41.8 -68.2 -20.1 -13.6 -106.3 -9.2 79 97 A K T 4 S+ 0 0 145 183,-0.1 -1,-0.2 3,-0.1 183,-0.0 0.876 125.1 29.0 -94.4 -49.1 -16.5 -107.8 -7.3 80 98 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.634 93.8-134.9 -87.5 -18.2 -15.6 -107.5 -3.6 81 99 A L >< + 0 0 5 -4,-1.9 3,-0.8 1,-0.3 2,-0.2 0.594 46.8 157.9 68.3 20.0 -13.4 -104.3 -4.1 82 100 A N T 3 + 0 0 37 1,-0.2 -5,-1.9 -5,-0.2 -1,-0.3 -0.507 64.9 17.5 -73.8 137.2 -10.7 -105.7 -1.9 83 101 A N T 3 S+ 0 0 16 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.878 76.9 175.6 65.0 43.5 -7.3 -104.1 -2.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.509 33.7 117.9 -80.1 73.8 -8.8 -101.1 -4.4 85 103 A I - 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