==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-05 2BY7 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.-K.S.LEIROS,J.TIMMINS,R.B.G.RAVELLI,S.M.MCSWEENEY . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 72 32.3 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 . 4 1.8 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 1 3 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 X I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.5 35.2 20.6 18.8 2 17 X V B +A 171 0A 10 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.875 360.0 7.1-100.3 131.6 37.5 19.8 15.9 3 18 X G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.666 102.6 117.0 74.7 21.7 39.1 22.7 14.0 4 19 X G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.055 58.1-109.6 -98.5-154.6 38.0 25.3 16.4 5 20 X Y E -B 137 0B 99 132,-2.5 132,-2.7 -3,-0.1 2,-0.4 -0.937 35.0 -88.0-141.2 158.2 39.6 27.8 18.8 6 21 X T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.569 36.9-151.2 -70.2 121.5 40.1 28.4 22.5 7 22 X a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.908 34.6-114.0 -61.6 -46.2 37.1 30.4 23.5 8 23 X G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.001 46.6 -58.8 107.1 140.3 38.7 32.2 26.4 9 24 X A T 3 S- 0 0 43 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.238 117.3 -8.8 -59.5 127.0 37.6 31.8 30.0 10 25 X N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.668 91.9 124.1 62.3 24.1 34.0 32.6 30.7 11 26 X T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.544 74.7 50.1 -86.2 -8.5 33.4 34.1 27.3 12 27 X V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.764 74.4 176.0-126.8 75.9 30.5 31.7 26.7 13 28 X P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.4 0.631 71.8 55.0 -72.9 -12.0 28.7 32.3 30.0 14 29 X Y T 3 S+ 0 0 18 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.444 81.7 110.4 -91.3 -8.7 25.7 30.0 29.3 15 30 X Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.3 -0.608 47.8-174.9 -73.3 128.9 27.8 26.9 28.6 16 31 X V E -J 27 0C 1 11,-2.6 11,-1.2 -2,-0.4 2,-0.5 -0.808 20.5-138.5-118.7 156.7 27.6 24.3 31.3 17 32 X S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.971 15.0-142.9-107.3 129.7 29.4 21.0 31.8 18 33 X L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.5 7,-1.0 -0.854 24.6-168.0 -91.5 127.6 27.3 18.0 33.0 19 34 X N E +JK 23 47C 17 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.955 31.0 167.7-127.0 130.9 29.3 16.0 35.5 20 37 X S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.283 97.9 -45.6-128.3 47.3 28.7 12.5 36.9 21 38 X G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.163 140.8 27.3 102.6 -8.8 32.2 12.1 38.4 22 39 X Y S S- 0 0 129 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.939 102.8 -79.4-172.0 153.5 33.6 13.4 35.1 23 40 X H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.529 51.7 158.4 -62.1 133.5 32.5 15.7 32.3 24 41 X F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.523 57.6 2.3-132.4 -14.5 30.1 13.8 29.9 25 42 X b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.979 61.9-118.9-164.6 158.0 28.0 16.4 28.0 26 43 X G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.462 28.3 176.2 -89.7 178.6 27.4 20.0 27.5 27 44 X G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.2 2,-0.4 -0.955 24.8-116.7-169.7 175.2 24.3 22.1 28.2 28 45 X S E -JL 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.5 -0.990 19.2-131.0-130.0 128.0 23.0 25.6 28.1 29 46 X L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.633 27.3 173.1 -78.6 123.8 21.7 27.7 31.0 30 47 X I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 75,-0.2 0.580 66.7 -8.1-111.6 -12.6 18.3 29.2 30.0 31 48 X N E > S- L 0 34C 49 3,-1.2 3,-0.5 70,-0.1 -1,-0.3 -0.922 89.4 -78.5-163.1-177.5 17.3 30.7 33.4 32 49 X S T 3 S+ 0 0 42 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.713 128.6 30.3 -62.2 -20.4 18.6 30.6 36.9 33 50 X Q T 3 S+ 0 0 74 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.487 109.9 67.5-113.7 -11.9 17.1 27.2 37.5 34 51 X W E < -LM 31 89C 0 -3,-0.5 -4,-2.6 55,-0.2 -3,-1.2 -0.959 47.4-168.7-135.2 137.6 17.1 25.4 34.2 35 52 X V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.952 14.2-146.1-119.6 137.3 19.5 23.9 31.7 36 53 X V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.869 33.9 148.6 -96.6 135.8 18.7 22.6 28.2 37 54 X S E - M 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.3 -0.794 49.5 -70.8-146.8-171.0 20.8 19.6 26.9 38 55 X A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.744 32.0-132.5 -87.8 144.3 20.4 16.6 24.6 39 56 X A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.818 107.5 65.3 -60.0 -31.8 18.1 13.7 25.6 40 57 X H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.636 93.0 62.8 -70.0 -7.8 20.9 11.3 24.7 41 58 X b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.348 77.8 132.9 -89.1 0.1 22.9 12.9 27.6 42 59 X Y < + 0 0 133 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.286 20.1 134.9 -58.5 133.7 20.3 11.6 30.1 43 60 X K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.935 50.8-102.9-161.3 164.6 21.5 9.9 33.2 44 61 X S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.452 94.4 37.6 -82.9 161.2 20.8 10.1 36.9 45 62 X G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.890 74.6 172.1 72.1 39.6 23.0 11.8 39.4 46 63 X I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.701 20.2-163.0 -83.7 134.5 24.0 14.9 37.3 47 64 X Q E -KN 19 66C 48 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.974 16.5-141.3-109.0 129.4 25.9 17.8 38.8 48 65 X V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.760 11.7-158.1 -92.3 130.0 25.7 20.9 36.7 49 66 X R E +KN 17 64C 51 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.941 14.3 179.8-115.1 108.5 29.0 22.9 36.5 50 67 X L E + N 0 63C 2 13,-3.0 13,-1.6 -2,-0.6 -34,-0.1 -0.549 60.9 34.7-102.6 157.5 28.5 26.5 35.6 51 69 X G S S+ 0 0 6 -38,-0.4 10,-0.3 -36,-0.3 2,-0.3 0.682 84.5 154.4 75.5 17.7 31.3 29.2 35.2 52 70 X E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.568 21.7 149.2 -86.3 141.8 33.8 26.6 33.9 53 71 X D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.3 -1,-0.2 0.371 81.3 30.6-117.7 -82.6 36.8 27.1 31.7 54 72 X N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.663 73.3-160.3 -74.9 112.5 39.4 24.4 32.6 55 73 X I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.550 87.4 51.1 -75.1 -4.1 37.1 21.5 33.8 56 74 X N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.373 106.1 57.7-109.2 2.1 40.0 19.9 35.7 57 75 X V S < S- 0 0 78 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -1.000 78.4-127.9-136.4 133.7 41.1 23.0 37.7 58 76 X V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.728 34.2 171.9 -82.0 115.2 39.1 25.1 40.1 59 77 X E - 0 0 98 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.558 51.3 -96.5-108.7 -13.0 39.8 28.6 38.8 60 78 X G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.310 104.8 73.9 121.0 -7.7 37.4 30.8 40.8 61 79 X N + 0 0 64 -10,-0.3 2,-0.1 -11,-0.1 -9,-0.1 0.311 66.1 123.2-117.4 11.4 34.2 31.3 38.9 62 80 X E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.361 38.2-169.4 -74.0 148.8 32.6 27.9 39.2 63 81 X Q E -N 50 0C 41 -13,-1.6 -13,-3.0 -2,-0.1 2,-0.6 -0.975 7.9-164.5-128.1 123.5 29.1 27.1 40.5 64 82 X F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 16.5 170.1-107.3 118.6 28.5 23.3 41.1 65 83 X I E -N 48 0C 13 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.994 28.6-129.3-134.8 123.4 24.8 22.6 41.6 66 84 X S E -N 47 0C 51 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.375 28.2-111.6 -67.4 148.0 23.2 19.2 41.6 67 85 X A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.562 21.6-167.8 -74.6 139.9 20.2 18.5 39.4 68 86 X S E S+ 0 0 65 21,-2.7 2,-0.3 1,-0.3 22,-0.2 0.682 73.3 3.8 -95.0 -21.2 16.9 17.9 41.2 69 87 X K E -O 89 0C 88 20,-1.0 20,-2.4 2,-0.0 2,-0.4 -0.984 56.0-154.4-161.8 146.1 15.0 16.6 38.1 70 88 X S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.984 9.5-165.9-126.0 139.1 15.6 15.7 34.5 71 89 X I E -O 87 0C 35 16,-2.9 16,-2.5 -2,-0.4 2,-0.3 -0.931 5.6-160.2-128.0 103.4 12.8 15.8 31.9 72 90 X V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.603 42.0 -86.7 -74.2 143.2 13.5 14.0 28.6 73 91 X H > - 0 0 23 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.224 35.5-123.1 -51.7 139.4 11.3 15.2 25.7 74 92 X P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 109.6 40.1 -56.9 -29.6 8.1 13.1 25.7 75 93 X S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.136 79.2 143.1-108.3 16.6 8.7 12.0 22.1 76 94 X Y < - 0 0 54 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.425 31.5-164.1 -57.7 132.2 12.5 11.4 22.2 77 95 X N > - 0 0 66 5,-2.2 4,-2.2 -2,-0.1 5,-0.4 -0.963 8.2-162.9-118.4 116.1 13.5 8.4 20.1 78 96 X S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.675 86.8 57.1 -76.4 -14.6 16.9 7.1 20.9 79 97 X N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.919 123.7 20.8 -77.9 -45.5 17.2 5.1 17.7 80 98 X T T 4 S- 0 0 75 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.607 96.7-130.5 -94.6 -14.6 16.6 8.0 15.3 81 99 X L >< + 0 0 32 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.546 49.4 159.3 61.5 20.5 17.5 10.9 17.8 82 100 X N T 3 + 0 0 38 -5,-0.4 -5,-2.2 1,-0.3 -1,-0.3 -0.468 67.6 15.7 -67.4 136.6 14.3 12.6 16.8 83 101 X N T 3 S+ 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.890 79.3 178.8 64.4 47.0 13.4 15.1 19.6 84 102 X D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.494 35.8 114.2 -84.4 74.7 16.9 15.0 21.1 85 103 X I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.997 36.3 176.4-148.7 146.0 16.3 17.5 23.9 86 104 X M E -MO 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.991 18.9-141.1-151.5 142.8 16.1 17.3 27.7 87 105 X L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.857 13.1-163.5-108.4 142.7 15.6 19.9 30.5 88 106 X I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.997 7.9-148.7-127.4 125.5 17.5 19.7 33.8 89 107 X K E -MO 34 69C 37 -20,-2.4 -21,-2.7 -2,-0.4 -20,-1.0 -0.811 14.9-131.8 -96.6 135.0 16.4 21.6 36.9 90 108 X L E - 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