==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-02 1J16 . COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 74 33.2 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 . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.4 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 1 0 0 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 3 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.4 0.3 49.2 50.1 2 17 A V B +A 171 0A 9 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.801 360.0 4.8 -94.8 132.8 -1.0 52.5 51.6 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.716 101.4 120.8 70.0 22.1 -2.7 54.9 49.2 4 19 A G - 0 0 28 -3,-0.5 2,-0.3 167,-0.1 134,-0.2 -0.021 58.8-111.1 -97.2-156.3 -2.5 52.6 46.2 5 20 A Y E -B 137 0B 105 132,-2.6 132,-3.4 -3,-0.1 2,-0.4 -0.952 34.8 -91.9-137.9 155.2 -5.1 51.2 43.9 6 21 A T E -B 136 0B 64 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.559 47.2-124.6 -69.9 124.6 -6.4 47.7 43.3 7 22 A a - 0 0 2 128,-2.5 3,-0.1 -2,-0.4 2,-0.1 -0.371 30.3 -97.6 -66.7 150.6 -4.4 46.1 40.5 8 23 A Q > - 0 0 154 1,-0.1 3,-2.3 2,-0.1 4,-0.3 -0.453 64.2 -76.1 -64.5 143.9 -6.3 44.7 37.6 9 24 A E T 3 S- 0 0 84 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.197 111.6 -10.4 -49.8 121.2 -6.7 41.0 38.1 10 25 A N T 3 S+ 0 0 14 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.703 92.7 131.7 60.3 24.1 -3.5 39.1 37.4 11 26 A S S < S+ 0 0 65 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.542 70.2 52.5 -80.0 -9.0 -2.0 42.3 35.8 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.640 72.3 172.9-124.8 70.7 1.2 41.8 37.9 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.604 71.9 57.5 -57.2 -20.2 1.9 38.1 36.8 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.514 81.8 106.6 -89.0 -8.8 5.3 38.0 38.6 15 30 A Q E < -J 28 0C 4 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.589 48.2-178.7 -76.9 127.7 3.9 38.9 42.0 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.2 -2,-0.4 2,-0.4 -0.837 22.3-133.0-123.0 159.3 3.7 36.0 44.4 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.8 -2,-0.3 2,-0.6 -0.944 14.0-142.3-111.1 132.7 2.5 35.6 48.0 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.4 7,-1.1 -0.882 27.9-171.3 -95.5 125.8 4.6 33.9 50.6 19 34 A N E +JK 23 47C 18 28,-2.8 28,-2.7 -2,-0.6 4,-0.2 -0.965 32.3 168.0-127.4 136.2 2.3 31.9 52.9 20 37 A S S S- 0 0 43 2,-2.1 3,-0.1 -2,-0.4 -1,-0.1 -0.260 97.1 -45.4-134.0 43.0 2.8 30.0 56.1 21 38 A G S S+ 0 0 68 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.197 140.4 28.3 108.0 -11.3 -0.9 29.5 57.0 22 39 A Y S S- 0 0 139 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.937 102.2 -81.4-167.7 159.6 -1.5 33.2 56.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.609 52.1 156.4 -72.0 129.3 0.1 35.7 53.8 24 41 A F E + 0 0 30 -6,-2.5 151,-0.3 1,-0.4 2,-0.3 0.571 59.1 3.6-128.8 -17.2 3.2 37.3 55.4 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.972 61.2-124.6-160.9 166.5 5.4 38.6 52.5 26 43 A G E -J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.530 23.6-179.4-108.7-179.0 5.6 39.0 48.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.958 22.8-116.7-168.4 172.3 8.1 37.9 46.2 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.990 20.1-129.1-129.1 131.7 8.9 38.1 42.5 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.1 -2,-0.4 6,-0.2 -0.664 29.9 169.8 -78.0 121.0 9.1 35.2 40.0 30 47 A I E - 0 0 21 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.583 68.1 -1.2-107.6 -17.5 12.3 35.4 38.1 31 48 A N E > S- L 0 34C 45 3,-1.3 3,-1.2 70,-0.1 -1,-0.3 -0.934 91.6 -82.0-159.2 168.4 12.3 32.0 36.3 32 49 A D T 3 S+ 0 0 71 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.601 127.5 24.9 -57.4 -9.8 10.0 29.0 36.3 33 50 A Q T 3 S+ 0 0 45 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.328 110.2 74.6-136.5 11.2 11.5 27.6 39.5 34 51 A W E < -LM 31 89C 11 -3,-1.2 -4,-2.3 55,-0.2 -3,-1.3 -0.984 47.7-173.0-135.2 138.8 13.0 30.6 41.4 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.960 13.6-147.7-125.6 137.3 11.5 33.5 43.4 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 51,-0.2 -0.898 33.0 144.4-107.8 136.4 13.4 36.5 44.8 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.3 -2,-0.4 2,-0.4 -0.673 50.5 -62.9-145.7-160.9 12.2 38.1 48.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.832 32.6-133.0-101.0 140.9 13.7 39.7 51.2 39 56 A A G > S+ 0 0 1 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.836 105.9 64.4 -59.7 -31.7 15.9 37.9 53.7 40 57 A H G 3 S+ 0 0 53 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.657 92.1 65.3 -69.0 -9.5 13.8 39.2 56.6 41 58 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.345 75.9 134.2 -90.7 4.3 10.9 37.2 55.2 42 59 A Y < + 0 0 102 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.263 25.2 167.2 -58.3 141.2 12.8 33.9 55.9 43 60 A K - 0 0 55 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.950 47.7-110.8-147.3 156.5 10.8 31.1 57.6 44 61 A S S S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.792 106.4 17.8 -60.8 -31.5 11.7 27.4 58.0 45 62 A R S S- 0 0 201 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.994 71.8-179.0-141.7 140.2 8.9 26.4 55.5 46 63 A I - 0 0 7 -2,-0.3 21,-2.8 21,-0.3 2,-0.5 -0.998 17.9-150.4-143.9 135.0 7.2 28.6 53.0 47 64 A Q E -KN 19 66C 52 -28,-2.7 -28,-2.8 -2,-0.3 2,-0.5 -0.934 20.1-143.8-104.5 126.1 4.4 27.9 50.4 48 66 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.820 10.6-159.3 -93.5 124.9 4.6 30.1 47.3 49 67 A R E +KN 17 64C 53 -32,-2.8 -32,-2.4 -2,-0.5 3,-0.3 -0.934 13.9 179.4-111.0 113.5 1.3 31.2 45.9 50 68 A L E + N 0 63C 2 13,-3.2 13,-1.9 -2,-0.6 -34,-0.1 -0.697 58.8 34.5-108.6 160.3 1.3 32.4 42.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 48,-0.3 2,-0.2 0.676 84.1 152.8 70.3 20.4 -1.5 33.6 40.0 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.509 22.9 149.8 -87.8 145.3 -3.2 35.3 42.9 53 71 A H S S+ 0 0 14 1,-0.4 82,-1.0 4,-0.3 2,-0.8 0.363 83.0 31.6-128.4 -71.8 -5.5 38.3 42.9 54 72 A N B > S-P 134 0D 19 3,-0.2 3,-1.0 80,-0.2 -1,-0.4 -0.822 73.0-162.1 -89.3 111.5 -7.9 37.7 45.9 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.601 87.4 48.5 -71.7 -7.9 -5.7 35.8 48.4 56 74 A N T 3 S+ 0 0 114 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.390 106.0 59.5-111.3 2.6 -8.8 34.6 50.3 57 75 A V S < S- 0 0 74 -3,-1.0 2,-0.8 76,-0.2 -4,-0.3 -0.998 79.7-126.6-134.3 131.8 -10.9 33.4 47.4 58 76 A L + 0 0 139 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.717 33.9 171.1 -79.6 110.3 -10.0 30.7 44.9 59 77 A E - 0 0 72 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.468 52.1-100.1-100.7 -8.3 -10.5 32.4 41.6 60 78 A G S S+ 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.379 103.2 77.6 108.8 -4.6 -9.1 29.8 39.2 61 79 A N + 0 0 53 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.350 62.9 125.6-119.5 9.6 -5.6 30.9 38.3 62 80 A E - 0 0 38 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.341 34.9-173.8 -74.4 146.2 -3.7 29.9 41.4 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.2 -2,-0.1 2,-0.5 -0.985 8.3-165.1-136.9 116.8 -0.6 27.7 41.6 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.965 15.1 169.6-109.1 121.5 0.6 26.8 45.1 65 83 A V E -N 48 0C 14 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.1 -0.999 29.4-123.2-135.9 134.5 4.1 25.4 45.3 66 84 A N E -N 47 0C 83 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.429 28.6-110.4 -76.7 148.5 6.3 24.7 48.3 67 85 A A E -O 90 0C 20 -21,-2.8 -21,-0.3 23,-0.2 23,-0.2 -0.635 29.2-176.1 -76.4 131.2 9.7 26.2 48.7 68 86 A A E S+ 0 0 62 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.828 75.0 21.4 -93.3 -48.5 12.5 23.6 48.4 69 87 A K E -O 89 0C 82 20,-1.7 20,-2.8 154,-0.1 2,-0.5 -0.987 63.1-168.1-125.1 132.8 15.5 25.8 49.2 70 88 A I E -O 88 0C 34 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.951 14.4-175.5-123.2 104.3 15.2 29.1 51.0 71 89 A I E -O 87 0C 42 16,-3.4 16,-2.7 -2,-0.5 2,-0.1 -0.883 8.6-162.9-111.8 105.1 18.5 31.0 50.7 72 90 A K E -O 86 0C 90 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.475 42.2 -90.1 -79.1 151.2 19.1 34.3 52.5 73 91 A H > - 0 0 18 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.446 37.2-127.1 -59.4 134.0 22.0 36.5 51.3 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.778 107.5 48.3 -56.4 -27.0 25.0 35.4 53.3 75 93 A N T 3 S+ 0 0 109 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.122 76.6 141.8-101.9 20.1 25.7 39.0 54.4 76 94 A F < - 0 0 45 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.433 38.4-154.7 -62.9 130.9 22.2 39.8 55.5 77 95 A D B >> -Q 82 0E 66 5,-2.2 4,-3.0 -2,-0.1 5,-0.5 -0.934 7.1-162.7-112.3 109.4 22.3 42.0 58.6 78 96 A R T 45S+ 0 0 189 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.696 88.1 55.5 -64.6 -20.3 19.1 41.6 60.7 79 97 A E T 45S+ 0 0 152 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.903 126.0 16.7 -79.1 -43.2 19.8 44.8 62.6 80 98 A T T 45S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.576 94.4-127.6-104.3 -15.0 20.2 47.1 59.6 81 99 A Y T ><5 + 0 0 67 -4,-3.0 3,-0.9 1,-0.3 2,-0.2 0.689 49.9 162.0 69.1 20.8 18.5 45.0 56.9 82 100 A N B 3 < +Q 77 0E 38 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.524 68.2 17.4 -69.0 139.5 21.6 45.5 54.8 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.887 80.9 175.3 61.9 43.8 21.6 42.8 52.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.501 33.1 115.9 -81.5 75.6 17.9 42.2 52.6 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.993 36.6 178.0-146.1 145.3 17.5 39.7 49.7 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.9 -2,-0.3 2,-0.4 -0.989 17.3-142.2-148.9 148.5 16.7 36.0 49.6 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.4 -2,-0.3 2,-0.5 -0.940 9.8-162.5-116.8 139.0 16.2 33.4 46.9 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.4 -2,-0.4 2,-0.6 -0.984 5.7-155.7-121.7 121.8 13.6 30.6 47.0 89 107 A K E -MO 34 69C 44 -20,-2.8 -21,-3.4 -2,-0.5 -20,-1.7 -0.898 23.6-130.1 -97.0 124.6 13.9 27.6 44.8 90 108 A L E - 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