==== 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 2BY6 . 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) . 9224.0 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 0.000 360.0 360.0 360.0 120.8 35.3 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 -0.888 360.0 6.5 -99.3 131.5 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 0.659 102.7 117.5 74.6 21.1 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 0.056 58.1-109.6 -97.5-155.2 38.0 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 34.7 -88.1-140.8 158.0 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 -0.596 37.1-151.9 -69.9 119.1 40.1 28.4 22.5 7 22 X a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.900 34.7-114.0 -59.9 -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 46.4 -58.2 107.3 141.4 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 -0.234 117.6 -9.2 -60.6 126.6 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 91.9 124.4 61.6 25.2 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 0.558 74.6 50.2 -86.0 -8.3 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 -0.765 74.5 176.0-126.9 76.1 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 0.621 71.9 54.8 -73.0 -12.9 28.7 32.3 30.0 14 29 X Y T 3 S+ 0 0 19 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.436 81.9 110.5 -90.8 -9.5 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 -0.600 47.7-174.6 -72.9 129.1 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 -0.825 20.2-139.2-119.0 156.2 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 -0.971 15.5-142.4-107.7 130.2 29.4 21.0 31.8 18 33 X L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-1.0 -0.855 24.5-167.3 -92.6 126.7 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 -0.956 31.1 167.2-126.0 130.7 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 -45.8-128.0 46.3 28.8 12.5 36.9 21 38 X G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.190 140.7 27.0 104.4 -9.3 32.2 12.2 38.4 22 39 X Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.936 102.6 -79.4-172.4 153.2 33.7 13.5 35.1 23 40 X H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.541 51.7 158.3 -62.3 132.3 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 0.527 57.6 2.9-131.9 -13.7 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 -0.978 61.6-119.6-163.8 158.3 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 -0.443 27.8 176.3 -90.8 178.2 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 -0.953 25.0-116.3-169.1 175.6 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 -0.990 19.5-130.8-130.2 128.6 23.0 25.6 28.1 29 46 X L E + L 0 35C 0 -15,-2.3 74,-2.4 -2,-0.4 6,-0.2 -0.655 27.7 172.6 -78.4 122.8 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 0.569 66.6 -7.5-112.3 -10.9 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 -0.924 89.2 -79.2-163.9-178.3 17.4 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 0.708 128.3 30.6 -63.1 -18.8 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 0.477 110.1 67.1-114.0 -9.9 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 47.6-168.1-135.5 138.4 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 -0.941 14.0-145.6-119.5 138.7 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 -0.881 34.3 148.0 -97.1 134.8 18.8 22.6 28.1 37 54 X S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.790 49.6 -71.3-146.0-170.1 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 -0.742 31.7-132.9 -88.4 144.1 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 0.818 107.3 65.6 -60.8 -31.0 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 0.633 93.3 62.9 -70.4 -7.1 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 0.372 77.7 132.6 -88.7 -1.0 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 -0.264 19.8 135.1 -57.3 133.8 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 -0.941 50.7-103.2-162.1 165.1 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 -0.469 94.6 38.4 -84.2 161.3 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 74.2 172.5 73.0 38.1 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 -0.698 20.0-163.0 -83.3 134.1 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 16.6-141.7-107.3 127.5 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 -0.779 11.7-158.6 -90.6 130.6 25.7 20.9 36.7 49 66 X R E +KN 17 64C 51 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.940 14.1 179.8-115.8 109.7 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 -0.562 60.9 34.6-105.3 159.0 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,-0.3 0.685 84.3 154.1 73.1 18.4 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 -0.567 21.8 149.6 -85.2 141.4 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,-0.1 0.364 81.4 30.8-118.1 -81.2 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 -0.653 73.2-160.2 -76.4 113.1 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 0.555 87.4 51.2 -75.1 -4.5 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 0.368 105.9 57.9-109.8 3.7 40.1 20.0 35.7 57 75 X V S < S- 0 0 75 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -0.999 77.9-128.1-137.2 134.1 41.1 23.0 37.7 58 76 X V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.725 34.4 171.2 -82.9 114.4 39.2 25.2 40.2 59 77 X E - 0 0 96 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.551 51.8 -96.2-107.7 -11.6 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 0.335 104.8 73.9 120.2 -9.0 37.4 30.8 40.8 61 79 X N + 0 0 63 -10,-0.3 -9,-0.1 -11,-0.0 2,-0.1 0.321 66.1 123.2-116.2 9.6 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 -0.341 38.0-169.6 -71.7 148.5 32.6 27.9 39.2 63 81 X Q E -N 50 0C 41 -13,-1.7 -13,-3.0 -2,-0.1 2,-0.6 -0.974 7.7-164.7-128.2 123.4 29.2 27.1 40.6 64 82 X F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 16.4 169.9-108.2 117.8 28.6 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 28.6-128.9-134.2 122.3 24.8 22.6 41.6 66 84 X S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.393 28.0-111.6 -65.3 147.8 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 -0.557 21.7-168.2 -74.3 139.5 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 0.681 73.2 4.5 -93.7 -21.6 16.9 17.9 41.2 69 87 X K E -O 89 0C 88 20,-1.0 20,-2.3 2,-0.0 2,-0.4 -0.982 56.0-155.0-161.9 145.8 15.0 16.6 38.1 70 88 X S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.988 9.3-166.4-127.0 138.9 15.6 15.7 34.5 71 89 X I E -O 87 0C 36 16,-3.0 16,-2.6 -2,-0.4 2,-0.2 -0.928 5.4-160.2-128.5 104.3 12.9 15.7 31.9 72 90 X V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.597 42.3 -86.8 -73.9 144.1 13.6 14.0 28.6 73 91 X H > - 0 0 22 12,-2.4 3,-1.9 10,-0.3 -1,-0.1 -0.221 35.6-122.6 -52.5 140.1 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 0.780 109.9 39.9 -57.7 -28.7 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 0.140 78.9 143.3-109.4 17.2 8.7 12.0 22.1 76 94 X Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.416 31.6-163.8 -58.2 131.7 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 -0.960 7.7-163.0-118.0 115.5 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 0.684 87.0 56.9 -75.5 -15.5 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 0.918 123.6 20.9 -77.1 -44.2 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 0.609 96.7-130.6 -95.8 -15.1 16.6 8.0 15.3 81 99 X L >< + 0 0 33 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.556 49.5 159.0 63.6 18.7 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 -0.471 67.4 15.9 -67.1 136.1 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 0.893 79.7 178.8 66.1 45.9 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 -0.485 35.6 113.4 -83.5 75.6 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 36.8 177.3-149.3 147.6 16.3 17.5 23.9 86 104 X M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.992 18.6-140.9-152.0 141.9 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 -0.861 13.3-164.0-106.4 144.4 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 7.8-149.3-129.0 125.3 17.5 19.7 33.8 89 107 X K E -MO 34 69C 39 -20,-2.3 -21,-2.7 -2,-0.4 -20,-1.0 -0.816 15.0-132.3 -97.0 135.6 16.4 21.6 36.9 90 108 X L E - 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