==== 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 2BY8 . 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) . 9204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 70 31.4 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 . 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 . 3 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 0.000 360.0 360.0 360.0 121.6 35.2 20.6 18.9 2 17 X V B +A 171 0A 10 169,-3.1 169,-1.9 1,-0.2 123,-0.1 -0.892 360.0 6.7 -99.5 132.7 37.5 19.8 15.9 3 18 X G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.660 102.9 116.4 74.6 20.7 39.1 22.7 14.0 4 19 X G - 0 0 38 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.037 58.3-108.1 -98.2-154.2 37.9 25.4 16.4 5 20 X Y E -B 137 0B 99 132,-2.6 132,-2.7 -3,-0.1 2,-0.5 -0.936 34.5 -88.7-140.3 158.4 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 -0.570 37.4-151.9 -71.1 119.9 40.1 28.4 22.5 7 22 X a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.897 34.5-114.9 -59.9 -47.7 37.1 30.5 23.5 8 23 X G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.023 46.3 -57.1 106.5 140.9 38.7 32.2 26.4 9 24 X A T 3 S- 0 0 44 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.236 117.7 -9.7 -58.6 125.0 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 91.6 124.6 62.5 25.3 34.0 32.6 30.7 11 26 X T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.564 74.9 50.0 -86.1 -7.4 33.4 34.1 27.3 12 27 X V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.754 74.6 175.9-127.6 76.6 30.5 31.7 26.7 13 28 X P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.4 0.630 71.7 55.0 -75.0 -10.5 28.7 32.3 30.0 14 29 X Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.441 81.7 110.5 -92.6 -8.3 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 -0.599 47.9-174.3 -73.9 128.9 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 -0.831 20.2-138.5-118.1 156.2 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 -0.965 15.1-142.9-108.0 128.9 29.4 21.0 31.9 18 33 X L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-1.0 -0.856 24.6-167.7 -90.5 126.2 27.3 18.0 33.0 19 34 X N E +JK 23 47C 17 28,-2.6 28,-2.7 -2,-0.5 4,-0.2 -0.960 31.0 167.3-125.0 131.8 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 -0.286 97.9 -45.8-128.9 46.0 28.8 12.5 36.9 21 38 X G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.162 140.7 27.2 102.9 -7.7 32.2 12.1 38.4 22 39 X Y S S- 0 0 128 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.944 102.7 -79.4-173.0 153.9 33.6 13.5 35.1 23 40 X H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.538 51.7 158.2 -62.6 132.2 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 0.521 57.6 2.2-132.1 -14.0 30.2 13.8 29.9 25 42 X b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.982 61.7-119.3-164.6 159.4 28.1 16.4 28.0 26 43 X G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.445 28.1 176.1 -91.9 177.4 27.5 20.1 27.6 27 44 X G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.2 2,-0.4 -0.956 25.1-116.1-168.6 176.7 24.3 22.1 28.2 28 45 X S E -JL 15 36C 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.988 19.5-130.4-131.1 128.0 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 -0.653 27.6 173.0 -76.7 122.5 21.7 27.7 31.0 30 47 X I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.588 66.7 -8.8-112.2 -10.8 18.3 29.2 30.0 31 48 X N E > S- L 0 34C 49 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.926 89.1 -78.5-164.2-176.9 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 0.722 128.3 31.3 -63.1 -19.4 18.6 30.6 36.9 33 50 X Q T 3 S+ 0 0 75 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.475 109.9 66.5-114.2 -10.8 17.1 27.2 37.6 34 51 X W E < -LM 31 89C 1 -3,-0.6 -4,-2.6 55,-0.2 -3,-1.2 -0.965 47.6-167.6-136.9 139.3 17.1 25.3 34.2 35 52 X V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.946 13.9-145.8-119.8 137.9 19.5 23.9 31.7 36 53 X V E +LM 28 87C 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.870 34.4 147.7 -96.3 134.4 18.8 22.6 28.2 37 54 X S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.803 49.7 -70.9-146.7-170.1 20.7 19.6 26.9 38 55 X A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.740 31.8-132.9 -88.2 144.2 20.4 16.6 24.6 39 56 X A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.817 107.0 65.7 -61.6 -31.3 18.1 13.7 25.6 40 57 X H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.640 93.1 63.2 -69.0 -8.3 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 0.368 77.2 132.9 -88.1 -0.9 22.8 12.9 27.6 42 59 X Y < + 0 0 130 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.274 19.7 135.5 -57.8 132.8 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 -0.939 50.5-103.7-160.6 163.9 21.6 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 -0.481 94.5 38.2 -82.2 160.5 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 74.5 171.9 73.7 38.3 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 -0.705 20.2-163.0 -84.1 134.5 24.0 14.9 37.3 47 64 X Q E -KN 19 66C 48 -28,-2.7 -28,-2.6 -2,-0.4 2,-0.5 -0.974 16.5-141.4-108.7 128.5 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 -0.778 11.6-158.1 -90.7 130.9 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 -0.943 14.1-179.5-116.4 107.9 29.0 22.9 36.5 50 67 X L E + N 0 63C 2 13,-3.1 13,-1.7 -2,-0.6 -34,-0.1 -0.544 61.2 33.9-102.2 156.7 28.6 26.6 35.6 51 69 X G S S+ 0 0 6 -38,-0.4 10,-0.3 -36,-0.3 2,-0.3 0.677 84.4 154.6 75.4 19.0 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 -0.564 21.5 149.3 -85.9 142.0 33.8 26.6 33.9 53 71 X D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.366 81.4 30.8-118.7 -80.4 36.8 27.1 31.7 54 72 X N S > S- 0 0 29 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.675 73.4-160.6 -77.1 112.9 39.4 24.5 32.6 55 73 X I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.555 87.4 51.3 -75.3 -3.1 37.1 21.5 33.8 56 74 X N T 3 S+ 0 0 127 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.366 106.1 57.2-110.1 1.4 40.0 19.9 35.7 57 75 X V S < S- 0 0 77 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -1.000 78.3-127.5-136.2 134.6 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 -0.722 34.4 171.6 -83.4 116.2 39.1 25.2 40.2 59 77 X E - 0 0 97 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.569 51.4 -96.6-109.6 -12.0 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 0.299 104.8 73.9 118.9 -6.6 37.4 30.8 40.8 61 79 X N + 0 0 65 -10,-0.3 2,-0.1 -11,-0.0 -9,-0.1 0.324 66.2 122.6-117.1 8.7 34.2 31.3 38.9 62 80 X E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.359 38.5-169.0 -71.8 148.3 32.6 27.9 39.2 63 81 X Q E -N 50 0C 40 -13,-1.7 -13,-3.1 -2,-0.1 2,-0.6 -0.976 7.6-164.4-128.3 122.8 29.2 27.1 40.5 64 82 X F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 16.6 169.6-106.3 118.7 28.5 23.4 41.1 65 83 X I E -N 48 0C 13 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.993 28.8-129.0-134.7 122.7 24.8 22.6 41.6 66 84 X S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.375 28.1-111.7 -65.9 146.9 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 -0.566 21.7-168.1 -74.2 140.3 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 0.686 73.3 5.0 -93.8 -21.7 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 -0.985 55.8-155.1-162.3 144.3 15.0 16.6 38.1 70 88 X S E -O 88 0C 39 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.986 9.6-166.6-125.1 138.9 15.6 15.7 34.5 71 89 X I E -O 87 0C 35 16,-2.9 16,-2.6 -2,-0.4 2,-0.3 -0.936 5.6-160.2-128.0 104.4 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 -0.607 42.1 -86.9 -75.2 143.1 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 -0.230 35.5-123.2 -51.1 139.5 11.3 15.2 25.7 74 92 X P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.768 109.8 40.2 -57.3 -29.6 8.1 13.1 25.7 75 93 X S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.118 79.3 143.1-108.7 15.6 8.7 12.0 22.1 76 94 X Y < - 0 0 56 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.430 31.6-164.0 -56.9 132.3 12.5 11.4 22.2 77 95 X N > - 0 0 66 5,-2.2 4,-2.2 -2,-0.2 5,-0.4 -0.960 7.9-163.4-118.6 113.9 13.4 8.4 20.1 78 96 X S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.667 86.7 56.9 -75.0 -15.0 16.9 7.2 20.9 79 97 X N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.916 123.7 21.2 -76.6 -45.3 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 0.594 96.7-130.6 -94.9 -15.1 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 0.543 49.8 158.8 63.1 19.3 17.6 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 -0.465 67.7 15.8 -68.0 136.1 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 0.893 79.8 178.7 66.1 46.6 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 -0.492 35.8 113.2 -83.9 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 36.6 176.7-149.4 146.6 16.3 17.5 23.9 86 104 X M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.993 18.9-140.5-151.4 143.4 16.1 17.3 27.7 87 105 X L E -MO 36 71C 0 -16,-2.6 -16,-2.9 -2,-0.3 2,-0.4 -0.861 13.1-163.1-108.4 142.7 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 -0.995 7.6-149.1-126.2 126.3 17.5 19.7 33.8 89 107 X K E -MO 34 69C 39 -20,-2.4 -21,-2.7 -2,-0.4 -20,-1.0 -0.811 15.1-132.1 -97.2 133.3 16.4 21.6 36.9 90 108 X L E - 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