==== 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 2BYA . 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) . 9205.0 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 0.000 360.0 360.0 360.0 121.3 35.3 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 -0.884 360.0 6.5 -99.4 131.4 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 0.672 102.8 117.4 75.1 20.0 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 58.0-109.9 -97.7-155.2 38.0 25.4 16.5 5 20 X Y E -B 137 0B 99 132,-2.6 132,-2.7 -3,-0.1 2,-0.5 -0.936 34.6 -88.0-140.8 158.6 39.7 27.8 18.8 6 21 X T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.606 37.1-152.5 -70.4 120.3 40.1 28.4 22.5 7 22 X a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.887 34.7-114.3 -61.3 -46.7 37.1 30.5 23.5 8 23 X G > - 0 0 24 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.015 46.0 -57.3 106.4 141.0 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 -0.225 117.6 -9.9 -60.0 126.6 37.6 31.8 30.0 10 25 X N T 3 S+ 0 0 22 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.696 91.8 124.4 62.1 24.4 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 0.554 74.9 50.2 -86.5 -6.2 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 -0.761 74.6 175.7-128.0 76.6 30.5 31.7 26.7 13 28 X P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.4 0.613 71.7 55.0 -73.4 -13.6 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 0.456 81.9 110.5 -91.0 -7.9 25.7 30.1 29.3 15 30 X Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.3 -0.592 47.7-174.5 -73.3 130.1 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,-0.5 -0.824 20.1-139.0-120.2 156.3 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 -0.968 15.3-142.5-107.2 130.0 29.4 21.0 31.8 18 33 X L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.5 7,-0.9 -0.849 24.6-168.1 -92.2 126.1 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 -0.959 30.9 167.2-124.8 132.4 29.4 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 -0.288 98.0 -45.3-130.3 46.9 28.8 12.6 36.9 21 38 X G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.178 140.9 26.3 104.8 -10.6 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 -0.937 102.7 -79.3-172.1 153.7 33.7 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 -0.542 51.8 157.9 -63.0 133.3 32.5 15.7 32.3 24 41 X F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.528 57.9 3.7-133.3 -13.5 30.2 13.8 29.9 25 42 X b E -J 18 0C 7 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.978 61.6-120.3-164.3 158.1 28.1 16.4 28.1 26 43 X G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.454 27.7 175.8 -91.4 177.8 27.5 20.0 27.6 27 44 X G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.2 2,-0.4 -0.954 25.1-116.0-169.0 175.8 24.3 22.1 28.2 28 45 X S E -JL 15 36C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.990 19.4-130.6-130.5 129.7 23.0 25.6 28.1 29 46 X L E + L 0 35C 0 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.653 27.8 172.5 -78.7 122.1 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 0.568 66.8 -8.1-112.1 -9.9 18.4 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 -0.925 89.3 -78.5-164.6-177.8 17.4 30.7 33.4 32 49 X S T 3 S+ 0 0 42 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.696 128.1 30.5 -62.6 -20.1 18.6 30.6 37.0 33 50 X Q T 3 S+ 0 0 74 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.462 110.0 67.0-114.3 -10.1 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 -0.963 47.6-167.7-135.1 139.3 17.1 25.3 34.3 35 52 X V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.940 14.1-145.3-119.8 138.2 19.5 23.9 31.7 36 53 X V E +LM 28 87C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.879 34.5 147.6 -96.1 134.0 18.8 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 -0.795 49.6 -70.8-146.1-169.7 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 -0.747 31.6-132.9 -88.9 143.8 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 0.817 107.3 65.5 -60.6 -32.5 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 0.641 93.2 63.0 -69.1 -7.9 20.9 11.3 24.7 41 58 X b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.377 77.7 132.8 -88.0 -0.2 22.9 12.9 27.6 42 59 X Y < + 0 0 134 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.264 19.6 135.0 -59.2 134.4 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 -0.940 50.8-102.3-162.1 164.6 21.5 9.9 33.3 44 61 X S S S+ 0 0 93 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.468 94.8 37.5 -83.2 160.7 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 0.887 74.2 172.0 70.9 39.3 23.1 11.9 39.4 46 63 X I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.697 20.0-162.7 -82.4 134.4 24.0 14.9 37.3 47 64 X Q E -KN 19 66C 49 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.974 16.3-141.6-108.4 128.3 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 -0.773 11.6-158.4 -91.2 130.1 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 13.9-179.4-114.9 110.0 29.0 22.9 36.6 50 67 X L E + N 0 63C 2 13,-3.1 13,-1.6 -2,-0.6 -34,-0.1 -0.534 61.0 34.0-105.5 156.6 28.6 26.5 35.6 51 69 X G S S+ 0 0 6 -38,-0.4 10,-0.3 -36,-0.3 2,-0.2 0.677 84.1 154.4 74.2 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 -0.555 21.7 149.8 -86.2 140.8 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,-0.1 0.349 81.7 30.6-116.6 -81.8 36.8 27.1 31.7 54 72 X N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.674 73.2-160.4 -75.9 114.9 39.4 24.4 32.7 55 73 X I T 3 S+ 0 0 30 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.556 87.6 51.6 -77.5 -4.8 37.2 21.6 33.8 56 74 X N T 3 S+ 0 0 127 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.384 106.0 57.5-108.2 1.4 40.1 20.0 35.7 57 75 X V S < S- 0 0 76 -3,-1.1 2,-0.8 76,-0.2 -4,-0.3 -0.998 77.8-128.5-135.9 133.7 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 -0.729 34.1 171.2 -82.9 115.3 39.2 25.2 40.2 59 77 X E - 0 0 96 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.559 52.1 -95.8-108.7 -10.1 39.8 28.6 38.8 60 78 X G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.299 104.9 74.5 119.9 -9.4 37.4 30.8 40.8 61 79 X N + 0 0 61 -10,-0.3 -9,-0.1 -11,-0.1 2,-0.1 0.349 65.8 122.0-115.0 7.5 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 -0.334 38.1-169.9 -72.2 147.9 32.6 27.9 39.2 63 81 X Q E -N 50 0C 42 -13,-1.6 -13,-3.1 -2,-0.1 2,-0.6 -0.975 8.1-164.8-128.3 124.7 29.2 27.1 40.6 64 82 X F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.943 16.2 169.7-109.8 118.9 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 -0.992 28.9-128.1-135.3 123.6 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 -0.391 28.2-111.5 -67.0 148.3 23.2 19.2 41.6 67 85 X A E -O 90 0C 20 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.552 21.6-167.2 -75.8 139.4 20.2 18.5 39.4 68 86 X S E S+ 0 0 58 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.667 73.4 1.8 -92.9 -26.7 16.9 17.9 41.2 69 87 X K E -O 89 0C 75 20,-1.1 20,-3.1 2,-0.0 -1,-0.4 -0.957 57.2-152.8-164.7 145.0 15.1 16.6 38.2 70 88 X S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.957 9.7-165.3-120.2 138.6 15.7 15.7 34.5 71 89 X I E -O 87 0C 38 16,-3.0 16,-2.6 -2,-0.3 2,-0.3 -0.932 5.3-159.9-129.1 103.0 12.8 15.8 31.9 72 90 X V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.613 42.1 -87.1 -73.3 143.3 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 -0.206 35.7-122.5 -52.5 140.8 11.3 15.2 25.7 74 92 X P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.778 109.8 39.7 -58.1 -29.8 8.1 13.1 25.7 75 93 X S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.137 78.9 143.2-108.9 16.5 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 -0.419 32.0-163.1 -57.6 132.0 12.5 11.4 22.2 77 95 X N > - 0 0 67 5,-2.2 4,-2.2 -2,-0.1 5,-0.4 -0.960 7.9-163.0-117.7 114.4 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 0.693 87.2 56.5 -74.9 -14.8 16.9 7.1 21.0 79 97 X N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.923 123.8 21.2 -77.4 -45.8 17.2 5.1 17.7 80 98 X T T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.602 96.7-130.9 -94.8 -15.7 16.6 8.0 15.3 81 99 X L >< + 0 0 32 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.559 49.4 159.2 63.4 19.5 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 -0.485 67.3 15.8 -67.7 136.3 14.3 12.6 16.9 83 101 X N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.886 79.5 178.9 65.8 47.1 13.4 15.1 19.6 84 102 X D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.500 35.8 112.8 -84.4 73.9 16.9 15.0 21.2 85 103 X I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.996 36.7 177.0-148.2 147.6 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 -0.992 19.1-139.8-151.8 144.5 16.1 17.4 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 13.3-163.5-108.4 143.6 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 7.4-149.7-128.3 124.3 17.5 19.7 33.8 89 107 X K E -MO 34 69C 34 -20,-3.1 -21,-2.8 -2,-0.4 -20,-1.1 -0.817 15.1-132.4 -96.2 134.7 16.4 21.6 36.9 90 108 X L E - 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