==== 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 2BY9 . 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) . 9176.0 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 . 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 0.000 360.0 360.0 360.0 121.2 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 -0.887 360.0 6.4-100.3 132.5 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 0.679 102.7 117.8 73.8 21.6 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 0.049 58.1-109.9 -98.0-156.6 38.0 25.3 16.4 5 20 X Y E -B 137 0B 99 132,-2.5 132,-2.8 -3,-0.1 2,-0.5 -0.944 34.9 -88.3-139.6 158.0 39.7 27.8 18.7 6 21 X T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.566 37.3-151.3 -70.0 121.0 40.1 28.3 22.5 7 22 X a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.903 35.0-113.5 -59.9 -47.3 37.1 30.4 23.5 8 23 X G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.026 46.6 -58.6 107.6 141.2 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 -0.224 117.7 -9.4 -61.7 128.4 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 0.665 91.9 124.5 60.2 25.1 34.0 32.6 30.7 11 26 X T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.543 74.7 50.2 -85.1 -8.4 33.4 34.1 27.3 12 27 X V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.760 74.4 175.9-126.8 75.4 30.5 31.7 26.7 13 28 X P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.4 0.627 71.8 54.9 -73.4 -13.4 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 0.437 81.9 110.9 -89.4 -9.0 25.7 30.0 29.3 15 30 X Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.3 -0.611 47.4-174.9 -72.7 128.1 27.9 27.0 28.6 16 31 X V E -J 27 0C 1 11,-2.6 11,-1.2 -2,-0.4 2,-0.4 -0.824 20.3-139.4-117.4 157.8 27.6 24.3 31.3 17 32 X S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.967 15.4-142.3-109.5 130.5 29.4 21.0 31.8 18 33 X L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.4 7,-1.0 -0.862 24.8-167.4 -91.6 125.7 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 -0.958 31.1 167.6-125.1 132.3 29.3 16.0 35.4 20 37 X S S S- 0 0 31 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.297 97.8 -46.0-128.9 45.4 28.8 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 0.176 140.9 27.3 103.8 -8.4 32.2 12.1 38.4 22 39 X Y S S- 0 0 130 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.935 102.9 -79.6-172.9 152.7 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 -0.534 51.7 158.2 -60.9 133.0 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 0.537 57.6 3.9-133.9 -12.0 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 -0.979 61.8-119.7-164.8 157.3 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 -0.440 28.2 176.5 -89.6 177.2 27.5 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 -0.956 24.7-117.4-167.4 175.3 24.3 22.0 28.2 28 45 X S E -JL 15 36C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.991 19.4-130.4-130.9 127.0 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 -0.667 27.9 172.5 -75.8 122.3 21.7 27.7 31.0 30 47 X I E - 0 0 20 4,-2.6 2,-0.3 -2,-0.5 75,-0.2 0.553 66.5 -8.1-111.7 -11.6 18.4 29.2 30.0 31 48 X N E > S- L 0 34C 50 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.925 89.4 -78.7-163.4-177.4 17.3 30.7 33.4 32 49 X S T 3 S+ 0 0 41 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.709 128.1 30.6 -64.0 -18.9 18.6 30.6 36.9 33 50 X Q T 3 S+ 0 0 73 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.474 109.9 67.3-113.6 -10.2 17.1 27.2 37.5 34 51 X W E < -LM 31 89C 0 -3,-0.6 -4,-2.6 55,-0.2 -3,-1.2 -0.962 47.7-168.0-135.1 138.1 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 14.2-144.9-119.2 139.4 19.5 23.8 31.7 36 53 X V E +LM 28 87C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.877 34.4 147.7 -96.8 134.2 18.8 22.6 28.1 37 54 X S E - M 0 86C 0 49,-2.7 49,-2.1 -2,-0.4 2,-0.3 -0.785 49.5 -71.3-145.7-170.0 20.7 19.6 26.9 38 55 X A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.742 31.6-133.1 -88.9 144.1 20.4 16.6 24.6 39 56 X A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.833 107.4 65.4 -61.0 -31.4 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 0.638 93.2 62.8 -71.0 -6.2 20.9 11.3 24.7 41 58 X b G < S+ 0 0 3 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.377 77.9 132.8 -89.3 0.5 22.9 12.9 27.6 42 59 X Y < + 0 0 133 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.279 19.8 134.8 -57.6 134.0 20.3 11.6 30.1 43 60 X K - 0 0 55 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.938 51.0-103.4-162.7 164.5 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 -0.471 94.6 38.4 -82.7 161.8 20.8 10.1 36.9 45 62 X G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.893 74.2 171.7 72.1 37.6 23.1 11.8 39.4 46 63 X I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.700 20.2-163.1 -83.0 134.4 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 -0.976 16.5-141.6-107.3 127.9 25.9 17.8 38.8 48 65 X V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.775 11.4-158.2 -91.5 130.5 25.7 20.9 36.6 49 66 X R E -KN 17 64C 51 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.937 14.1-179.6-115.0 108.9 29.0 22.9 36.5 50 67 X L E + N 0 63C 2 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.539 61.3 34.3-104.9 157.2 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 84.3 154.6 74.3 18.3 31.3 29.1 35.2 52 70 X E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.577 21.5 149.2 -84.2 140.3 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 0.365 81.5 30.2-117.2 -82.9 36.8 27.1 31.7 54 72 X N S > S- 0 0 28 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.668 73.4-160.3 -74.6 114.3 39.4 24.4 32.6 55 73 X I T 3 S+ 0 0 30 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.541 87.2 51.9 -77.1 -4.4 37.2 21.5 33.8 56 74 X N T 3 S+ 0 0 126 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.356 105.9 57.1-108.0 2.3 40.1 19.9 35.7 57 75 X V S < S- 0 0 76 -3,-1.2 2,-0.7 76,-0.1 -4,-0.3 -0.999 78.2-127.5-136.6 135.6 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 -0.727 34.4 171.3 -83.7 114.5 39.2 25.1 40.1 59 77 X E - 0 0 97 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.547 51.7 -96.1-107.5 -11.4 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 0.325 104.9 73.8 120.0 -8.0 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 0.313 65.8 123.0-116.9 8.5 34.2 31.3 38.8 62 80 X E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.353 38.0-169.3 -71.0 147.5 32.6 27.9 39.2 63 81 X Q E -N 50 0C 42 -13,-1.7 -13,-3.0 -2,-0.1 2,-0.6 -0.976 8.1-164.6-127.5 122.8 29.2 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 -0.943 16.5 169.6-106.9 119.1 28.5 23.4 41.1 65 83 X I E -N 48 0C 13 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.1 -0.992 28.7-129.2-135.9 122.0 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 -0.388 28.0-111.6 -65.8 148.2 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 -0.565 21.7-167.5 -74.9 139.4 20.2 18.5 39.4 68 86 X S E S+ 0 0 58 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.665 73.6 3.0 -93.1 -27.6 16.9 17.9 41.2 69 87 X K E -O 89 0C 73 20,-1.0 20,-3.2 2,-0.0 -1,-0.4 -0.956 57.5-153.9-163.7 142.7 15.0 16.6 38.2 70 88 X S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.959 9.6-165.3-118.2 138.9 15.7 15.7 34.5 71 89 X I E -O 87 0C 38 16,-3.0 16,-2.6 -2,-0.4 2,-0.2 -0.926 5.0-160.1-127.7 103.3 12.8 15.8 31.8 72 90 X V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.597 42.1 -86.8 -73.6 143.2 13.6 14.0 28.6 73 91 X H > - 0 0 23 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.216 35.6-122.6 -52.4 139.9 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 0.782 109.8 39.6 -57.3 -29.8 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 0.138 79.2 143.3-109.0 17.0 8.7 12.0 22.1 76 94 X Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.410 31.7-163.4 -58.5 132.9 12.5 11.4 22.2 77 95 X N > - 0 0 66 5,-2.2 4,-2.1 -2,-0.1 5,-0.4 -0.956 7.9-163.1-118.7 114.2 13.5 8.4 20.1 78 96 X S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.699 87.1 56.6 -74.9 -15.9 17.0 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 0.919 123.8 20.9 -76.8 -45.2 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 0.596 96.9-130.6 -94.6 -16.7 16.6 8.0 15.3 81 99 X L >< + 0 0 32 -4,-2.1 3,-0.8 1,-0.3 2,-0.2 0.568 49.3 159.7 63.4 20.1 17.6 10.8 17.8 82 100 X N T 3 + 0 0 38 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.476 67.2 15.3 -67.3 134.8 14.3 12.6 16.8 83 101 X N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.892 79.4 179.2 66.5 47.6 13.5 15.1 19.6 84 102 X D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.501 35.8 113.8 -84.6 75.1 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 36.6 177.0-148.8 147.0 16.3 17.5 23.9 86 104 X M E -MO 37 72C 0 -49,-2.1 -49,-2.7 -2,-0.3 2,-0.4 -0.992 18.9-140.5-152.0 142.6 16.1 17.3 27.7 87 105 X L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.857 13.6-164.0-106.9 143.5 15.6 19.8 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 7.7-149.4-128.5 124.6 17.5 19.7 33.8 89 107 X K E -MO 34 69C 34 -20,-3.2 -21,-2.6 -2,-0.4 -20,-1.0 -0.816 14.6-132.4 -96.2 135.6 16.4 21.6 36.9 90 108 X L E - 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